data_ga_251231m_1_a
_audit_creation_date               2026-01-14
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2014/7'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C280 H250 N20 O20 Rh10 S10, 6(C F3 O3 S)'
_chemical_formula_sum              'C286 H250 F18 N20 O38 Rh10 S16'
_chemical_formula_weight           6459.11
_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'
 'F' 'F' 0.0599 0.0411 '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'
 'O' 'O' 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Rh' 'Rh' -0.0162 2.8654
 '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                     19.4495(16)
_cell_length_b                     27.334(2)
_cell_length_c                     36.537(3)
_cell_angle_alpha                  84.456(3)
_cell_angle_beta                   80.875(3)
_cell_angle_gamma                  74.312(3)
_cell_volume                       18435(3)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9253
_cell_measurement_temperature      173.0
_cell_measurement_theta_max        44.489
_cell_measurement_theta_min        2.800
_shelx_estimated_absorpt_T_max     0.641
_shelx_estimated_absorpt_T_min     0.497
_exptl_absorpt_coefficient_mu      3.253
_exptl_absorpt_correction_T_max    0.7495
_exptl_absorpt_correction_T_min    0.3922
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1336 before and 0.0844 after correction. The Ratio of minimum to maximum transmission is 0.5233. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'metallic dark violet'
_exptl_crystal_colour_lustre       metallic
_exptl_crystal_colour_modifier     dark
_exptl_crystal_colour_primary      violet
_exptl_crystal_density_diffrn      1.164
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               6556
_exptl_crystal_size_max            0.25
_exptl_crystal_size_mid            0.2
_exptl_crystal_size_min            0.15
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0921
_diffrn_reflns_av_unetI/netI       0.0635
_diffrn_reflns_Laue_measured_fraction_full  0.985
_diffrn_reflns_Laue_measured_fraction_max  0.985
_diffrn_reflns_limit_h_max         21
_diffrn_reflns_limit_h_min         -21
_diffrn_reflns_limit_k_max         30
_diffrn_reflns_limit_k_min         -30
_diffrn_reflns_limit_l_max         40
_diffrn_reflns_limit_l_min         -40
_diffrn_reflns_number              268863
_diffrn_reflns_point_group_measured_fraction_full  0.985
_diffrn_reflns_point_group_measured_fraction_max  0.985
_diffrn_reflns_theta_full          48.555
_diffrn_reflns_theta_max           48.555
_diffrn_reflns_theta_min           2.459
_diffrn_ambient_temperature        173.0
_diffrn_detector                   'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean   7.9
_diffrn_detector_type              'CCD area detector'
_diffrn_measured_fraction_theta_full  0.985
_diffrn_measured_fraction_theta_max  0.985
_diffrn_measurement_device         'three-circle diffractometer'
_diffrn_measurement_device_type    'Bruker APEX2 microsource'
_diffrn_measurement_method         'ω and φ scans'
_diffrn_radiation_monochromator    'mirror optics'
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             GaK\a
_diffrn_radiation_wavelength       1.34139
_diffrn_source                     'microfocus sealed X-ray tube'
_diffrn_source_type                'Incoatec I\ms'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  27530
_reflns_number_total               53086
_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         'SAINT V8.40B (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      ?
_refine_diff_density_max           2.604
_refine_diff_density_min           -1.360
_refine_diff_density_rms           0.138
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.581
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       3543
_refine_ls_number_reflns           53086
_refine_ls_number_restraints       2776
_refine_ls_R_factor_all            0.1953
_refine_ls_R_factor_gt             0.1466
_refine_ls_restrained_S_all        1.641
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.4237
_refine_ls_wR_factor_ref           0.4595
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C03V-C02N = C06C-C03V = C94-C08R = C08U-C073
 1.4 with sigma of 0.02
 C08R-C073
 1.4 with sigma of 0.02
 C06W-C03K = C06W-C064
 1.4 with sigma of 0.02
 O00Y-O00T
 2.5 with sigma of 0.02
 C07S-C03Y = C063-C028 = C063-C044
 1.4 with sigma of 0.02
 N02H-C07S = N02H-C05F
 1.36 with sigma of 0.02
 C08J-C04A = C08W-C08J
 1.4 with sigma of 0.02
 C07V-C06D = C3AA-C07V = C3AA-C05Y
 1.4 with sigma of 0.02
 C03X-C034 = C06X-C050
 1.4 with sigma of 0.02
 C08C-C02T = C08C-C03L = C04X-C02T
 1.4 with sigma of 0.02
 S00G-C03L
 1.75 with sigma of 0.02
 C06R-C04I = C06R-C03Z = C059-C056 = C06K-C02O
 1.4 with sigma of 0.02
 N01X-C03Z = N01X-C02O
 1.36 with sigma of 0.02
 C031-C02Z
 1.4 with sigma of 0.02
 C05O-S00I = C05O-C06D = C05O-C08W
 1.4 with sigma of 0.02
 C05Z-C01V = C024-C01V = C05V-C024 = C06S-C05V = C078-C05Z
 1.4 with sigma of 0.02
 C83-C024 = C037-C033 = C06F-C03F = C06F-C06A = C06A-C03U
 1.4 with sigma of 0.02
 C05V-C037
 1.4 with sigma of 0.01
 C078-C06S
 1.4 with sigma of 0.01
 C83-C03F
 1.4 with sigma of 0.01
 C03F-C033
 1.4 with sigma of 0.01
 C07T-C05R = C0AA-C07T = C0AA-C054
 1.4 with sigma of 0.02
 C08B-C05G = C45-C05G = C45-C06T = C33-C05G = C33-C04O = C45-C32 = C06P-C05U =
 C04P-C04O = C065-C04P
 1.4 with sigma of 0.02
 O01D-C08B
 1.28 with sigma of 0.02
 O04Z-C32 = O05Q-C06P
 1.28 with sigma of 0.02
 C32-C06V
 1.4 with sigma of 0.02
 O01D-O013
 2.5 with sigma of 0.02
 O04Z-O05Q
 2.5 with sigma of 0.02
 C94-C06C
 1.4 with sigma of 0.02
 N015-C94
 1.36 with sigma of 0.02
 C2BA-C064
 1.4 with sigma of 0.02
 C01Y-C01C
 1.4 with sigma of 0.01
 C050-C03X
 1.4 with sigma of 0.02
 S00J-C032
 1.85 with sigma of 0.02
 C218-C088
 1.51 with sigma of 0.02
 C06V-C04O
 1.4 with sigma of 0.02
 C22-N00W
 2.79 with sigma of 0.02
 C068-C03H = C068-C02L
 1.4 with sigma of 0.02
 C1AA-C0B3 = C0B3-C07I = C0A0-C07I = C0A0-C093 = C1AA-C093
 1.4 with sigma of 0.02
 C4AA-C07A = C4AA-C125 = C125-C07K = C8AA-C07K = C8AA-C07A
 1.4 with sigma of 0.02
 F020-C032 = F02J-C032 = F012-C032
 1.35 with sigma of 0.02
 S00J-O00Z = S00J-O02I = S00J-O03T
 1.45 with sigma of 0.02
 C9AA-C07J
 1.4 with sigma of 0.02
 C04R-C03U = C04R-C033
 1.4 with sigma of 0.02
 C06V-C06P
 1.4 with sigma of 0.02
 N02F-C05D
 1.36 with sigma of 0.02
 C9AA-C07X = C73-C07E = C0CA-C05M = C0CA-C08F = C08F-C03G = C04G-C03G
 1.4 with sigma of 0.02
 C07X-C05M
 1.4 with sigma of 0.02
 C07E-C04G
 1.4 with sigma of 0.02
 C07X-C04G
 1.4 with sigma of 0.02
 C066-C03P = C03P-C03B = C066-C04N = C31-C03O = C31-C04J
 1.4 with sigma of 0.02
 C03B-C04J
 1.4 with sigma of 0.02
 N01Q-C04J = N01Q-C04N
 1.36 with sigma of 0.01
 F8AA-C4BA = F15-C4BA = F30-C4BA
 1.35 with sigma of 0.02
 Rh07-C6AA
 3.2 with sigma of 0.02
 C092-C07J = C88-C092 = C73-C127 = C73-C07J
 1.4 with sigma of 0.02
 C031-C02K = C02Y-C02K = C04M-C03E = C07F-C03M = C07F-C052 = C05A-C031 = C05A-
 C052 = C043-C02Y = C055-C04Q = C05B-C055 = C05B-C043
 1.4 with sigma of 0.02
 C03E-C02Y
 1.4 with sigma of 0.02
 C04Q-C03E
 1.4 with sigma of 0.02
 C02Q-C022
 1.4 with sigma of 0.02
 C05X-C04Y
 1.4 with sigma of 0.02
 C01Z-C02R
 1.4 with sigma of 0.02
 C08S-C07R
 1.51 with sigma of 0.02
 C7AA-C0A8
 1.51 with sigma of 0.02
 C8AA-C7BA
 1.51 with sigma of 0.02
 Rh08-C7BA
 3.2 with sigma of 0.02
 O041-O76
 2.5 with sigma of 0.02
 C04E-C04C = C05T-C04C = C07D-C05T = C07D-C06J = C06J-C04E
 1.4 with sigma of 0.02
 C084-C05T
 1.51 with sigma of 0.02
 O00V-C02K
 1.28 with sigma of 0.02
 O01F-C03M
 1.28 with sigma of 0.02
 O01P-O01F
 2.5 with sigma of 0.02
 C54-C07B = C71-C25 = C06Y-C042
 1.4 with sigma of 0.02
 N038-C06Y = N025-C07B = N025-C076
 1.36 with sigma of 0.02
 C71-C076 = C07B-C042
 1.4 with sigma of 0.02
 N04L-C05X = N04L-C050 = N01J-C070
 1.36 with sigma of 0.02
 C03Q-C02S = C03Q-C03I = C02S-C027 = C069-C027
 1.4 with sigma of 0.02
 C06Q-C02S = C046-C03Q = C081-C03I = C07C-C069
 1.51 with sigma of 0.02
 O00S-O017
 2.5 with sigma of 0.02
 C03A-C01U = C022-C01U = C02Q-C01C = C01T-C016 = C01H-C016 = C01Y-C01H = C02W-
 C026 = C02B-C026 = C016-C010 = C02B-C010
 1.4 with sigma of 0.02
 C072-C06L = C06U-C06L = C077-C06U = C09H-C077 = C09H-C072
 1.4 with sigma of 0.02
 C93-C077 = C51-C06U = C0AD-C06L = C67-C072
 1.51 with sigma of 0.02
 C7AA-C05I = C7AA-C071 = C071-C05J = C07R-C05J = C07R-C05I
 1.4 with sigma of 0.02
 C01O-C01N
 1.4 with sigma of 0.02
 C019-C014 = C22-C02R
 1.4 with sigma of 0.02
 O01M-O02X
 2.5 with sigma of 0.02
 N030-C04H = N030-C06B
 1.36 with sigma of 0.02
 C07W-C03R = C07W-C04W = C06B-C04W = C06N-C06B = C06N-C05N
 1.4 with sigma of 0.02
 C087-C07D = C07M-C06J = C0AH-C04C
 1.51 with sigma of 0.02
 N02F-C062
 1.36 with sigma of 0.02
 C062-C02U = C089-C061 = C089-C05D
 1.4 with sigma of 0.02
 C1CA-C127 = C73-C127 = C88-C1CA
 1.4 with sigma of 0.01
 C08L-C088 = C088-C06M = C77-C06M = C77-C075 = C08L-C075
 1.4 with sigma of 0.02
 C09M-C071 = C0AT-C05J = C09W-C05I
 1.51 with sigma of 0.02
 C06I-C04F = C04F-C03C = C04U-C03C = C05P-C04U = C06I-C05P
 1.4 with sigma of 0.02
 C5AA-C04F = C5BA-C06I = C09Z-C05P = C106-C04U = C142-C03C
 1.51 with sigma of 0.02
 C97-C1AA
 1.51 with sigma of 0.02
 Rh00-C97
 3.2 with sigma of 0.02
 C2AA-C097 = C097-C082 = C08X-C082
 1.4 with sigma of 0.02
 N085-C074 = N085-C082 = N039-C08X = N039-C2AA
 1.36 with sigma of 0.02
 C6BA-C08X
 1.4 with sigma of 0.02
 N085-Rh0A
 2.1 with sigma of 0.02
 C247-C094 = C3BA-C247
 1.4 with sigma of 0.02
 C8BA-C180 = C8BA-C3BA = C3BA-C247 = C247-C094 = C180-C094
 1.4 with sigma of 0.02
 C141-C08L
 1.51 with sigma of 0.02
 S48-C4BA
 1.85 with sigma of 0.02
 S48-O45 = S48-O18 = S48-O136
 1.45 with sigma of 0.02
 F058-C05C = F92-C05C = F09N-C05C
 1.45 with sigma of 0.02
 S00N-C05C
 1.85 with sigma of 0.02
 S00N-O96 = S00N-O31 = S00N-O086
 1.35 with sigma of 0.02
 S0AA-C7
 1.87 with sigma of 0.02
 F04K-C7 = F25-C7 = F56-C7
 1.35 with sigma of 0.02
 S0AA-O060 = S0AA-O9
 1.45 with sigma of 0.02
 S0AA-F56
 2.6 with sigma of 0.02
 F25-S0AA
 2.6 with sigma of 0.02
 C03S-C035
 1.4 with sigma of 0.02
 S1AA-O7 = S1AA-O12 = S1AA-O14
 1.45 with sigma of 0.02
 F0AA-C75 = F23-C75 = F10-C75
 1.35 with sigma of 0.02
 C75-S1AA
 1.85 with sigma of 0.02
 S0AA-O19
 1.45 with sigma of 0.02
 O19-C7
 2.6 with sigma of 0.02
 C6AA-C0AB
 1.51 with sigma of 0.02
 C1BA-C143 = C143-C04V = C09U-C04V = C0AB-C09U = C1BA-C0AB
 1.4 with sigma of 0.02
 C04B-C03W = C051-C03W
 1.4 with sigma of 0.02
 C08X-C082 = C6BA-C87 = C87-C074
 1.4 with sigma of 0.02
 C08B-C05S
 1.4 with sigma of 0.02
 C37-C05S
 1.4 with sigma of 0.02
 C37-C06T
 1.4 with sigma of 0.02
 C07O-C02E
 1.4 with sigma of 0.02
 C07O-C04T
 1.4 with sigma of 0.02
 N053-C06C = N053-C08U
 1.36 with sigma of 0.02
 O023-O01A
 2.5 with sigma of 0.02
 O00X-O00V
 2.5 with sigma of 0.02
 C043-O00X
 1.26 with sigma of 0.02
 F46-C59 = F38-C59 = F6-C59
 1.35 with sigma of 0.02
 C59-O16
 2.6 with sigma of 0.02
 C59-O5
 2.6 with sigma of 0.02
 C59-O0AA
 2.6 with sigma of 0.02
 S1-C59
 1.85 with sigma of 0.02
 S1-F6
 2.6 with sigma of 0.02
 S1-F46
 2.6 with sigma of 0.02
 S1-O16 = S1-O5 = S1-O0AA
 1.45 with sigma of 0.02
 O55-C092 = O65-C9AA
 1.28 with sigma of 0.02
 O55-O65
 2.6 with sigma of 0.02
 C0AJ-C07I = C150-C0A0 = C0AO-C093
 1.51 with sigma of 0.02
 C02V-C01K = C07H-C02V = C07H-C048
 1.4 with sigma of 0.02
 C103-C09H
 1.51 with sigma of 0.02
 Rh05-C103
 3.2 with sigma of 0.02
 C90-C094 = C247-C096 = C3BA-C230
 1.51 with sigma of 0.02
 C3BA-C230 = C247-C096 = C90-C094 = C180-C130 = C8BA-C115
 1.51 with sigma of 0.02
 C143-C128 = C08I-C04V = C61-C09U = C1BA-C0B2
 1.51 with sigma of 0.02
 Rh00-C70
 3.2 with sigma of 0.02
 C70-C0B3
 1.51 with sigma of 0.02
 C09J-C06M = C77-C164 = C0BA-C075
 1.51 with sigma of 0.02
 C4AA-C105 = C0AI-C07A = C86-C125 = C96-C07K
 1.51 with sigma of 0.02
 C02Q-C03A
 2.79 with sigma of 0.04
 H0CA_$1-H7BB
 2.7 with sigma of 0.04
 H0CA-H7BB_$1
 2.7 with sigma of 0.04
 O00Y-C01U \\sim O00Y-C01I
 with sigma of 0.02
 N018-C028 \\sim N018-C03N
 with sigma of 0.02
 N02H-C063 \\sim C07S-C044 \\sim C028-C05F
 with sigma of 0.02
 N01X-C056 \\sim C03Z-C06K \\sim C059-C02O
 with sigma of 0.02
 C06R-C059 \\sim C04I-C03Z
 with sigma of 0.02
 S00F-C048 \\sim S00F-C01K
 with sigma of 0.02
 C01V-C06S \\sim C05Z-C05V \\sim C078-C024
 with sigma of 0.02
 S00M-C054 \\sim S00M-C05R
 with sigma of 0.02
 C05G-C06V \\sim C45-C04O \\sim C33-C32
 with sigma of 0.02
 C04P-C06P \\sim C06V-C065 \\sim C04O-C05U
 with sigma of 0.02
 C03V-C94 \\sim C02N-C06C
 with sigma of 0.02
 C06X-C03X \\sim C070-C050
 with sigma of 0.02
 C04X-C08C \\sim C03L-C02T
 with sigma of 0.02
 C218-C06M \\sim C218-C08L
 with sigma of 0.02
 O01D-C08B \\sim O013-C33
 with sigma of 0.02
 C078-C05V \\sim C05Z-C024
 with sigma of 0.02
 C06F-C04R \\sim C03F-C03U \\sim C033-C06A
 with sigma of 0.02
 C024-C033 \\sim C05V-C03F \\sim C83-C037
 with sigma of 0.02
 C0A0-C0B3 \\sim C1AA-C07I
 with sigma of 0.02
 C0A0-C1AA \\sim C093-C07I
 with sigma of 0.02
 C150-C093 \\sim C150-C07I
 with sigma of 0.02
 C016-C02B \\sim C01H-C026
 with sigma of 0.02
 N02H-C028 \\sim C05F-C063
 with sigma of 0.02
 C07A-C07K \\sim C4AA-C8AA
 with sigma of 0.02
 C105-C07A \\sim C105-C125
 with sigma of 0.02
 C4AA-C07K \\sim C125-C07A
 with sigma of 0.02
 C04G-C0CA \\sim C07X-C08F \\sim C05M-C03G
 with sigma of 0.02
 C03P-N01Q \\sim C04N-C03B
 with sigma of 0.02
 C04J-C066 \\sim N01Q-C03P
 with sigma of 0.02
 O136-O45 \\sim O45-O18 \\sim O18-O136
 with sigma of 0.02
 F15-F8AA \\sim F8AA-F30 \\sim F30-F15
 with sigma of 0.02
 C04O-C065 \\sim C06V-C05U
 with sigma of 0.02
 Rh00-C0B3 \\sim Rh00-C093 \\sim Rh00-C0A0 \\sim Rh00-C07I \\sim Rh00-C1AA
 with sigma of 0.02
 C092-C127 \\sim C88-C73
 with sigma of 0.02
 C092-C73 \\sim C88-C127
 with sigma of 0.02
 C9AA-C07E \\sim C07J-C04G \\sim C73-C07X
 with sigma of 0.02
 C043-C04Q \\sim C05B-C03E \\sim C055-C02Y
 with sigma of 0.02
 C67-C06L \\sim C67-C09H
 with sigma of 0.02
 C96-C125 \\sim C96-C8AA
 with sigma of 0.02
 C09M-C7AA \\sim C09M-C05J
 with sigma of 0.02
 C08S-C05I \\sim C08S-C05J
 with sigma of 0.02
 C03F-C06A \\sim C033-C03U
 with sigma of 0.02
 C0AJ-C0B3 \\sim C0AJ-C0A0
 with sigma of 0.02
 C06J-C04C \\sim C07D-C04E
 with sigma of 0.02
 C05T-C04E \\sim C07D-C04C
 with sigma of 0.02
 C08K-C06J \\sim C08K-C04C
 with sigma of 0.02
 C25-N025 \\sim C71-C07B \\sim C076-C54
 with sigma of 0.02
 C54-C042 \\sim C07B-C06Y
 with sigma of 0.02
 C07B-C076 \\sim C54-C71
 with sigma of 0.02
 C034-N04L \\sim C04Y-C050 \\sim C05X-C03X
 with sigma of 0.02
 O00S-C01Y \\sim O017-C02W
 with sigma of 0.02
 O017-C01H \\sim O017-C026
 with sigma of 0.02
 C0AD-C06U \\sim C0AD-C072
 with sigma of 0.02
 C077-C06L \\sim C06U-C072
 with sigma of 0.02
 C06U-C09H \\sim C072-C077
 with sigma of 0.02
 Rh05-C077 \\sim Rh05-C09H \\sim Rh05-C072 \\sim Rh05-C06U \\sim Rh05-C06L
 with sigma of 0.02
 C93-C09H \\sim C93-C06U
 with sigma of 0.02
 C51-C06L \\sim C51-C077
 with sigma of 0.02
 C0A8-C05I \\sim C0A8-C071
 with sigma of 0.02
 C05I-C071 \\sim C7AA-C05J
 with sigma of 0.02
 S00L-C04B \\sim S00L-C057
 with sigma of 0.02
 C02R-C014 \\sim C01Z-C019
 with sigma of 0.02
 O02X-C04R \\sim O01M-C037
 with sigma of 0.02
 C06N-C04W \\sim C05N-C06B
 with sigma of 0.02
 N030-C07W \\sim C06B-C03R \\sim C04W-C04H
 with sigma of 0.02
 C03R-C04W \\sim C04H-C06B
 with sigma of 0.02
 C0AH-C05T \\sim C0AH-C04E
 with sigma of 0.02
 C03J-C02U \\sim C040-C062
 with sigma of 0.02
 C05D-C062 \\sim C089-C02U
 with sigma of 0.02
 N02F-C061 \\sim C062-C089 \\sim C02U-C05D
 with sigma of 0.02
 Rh07-C143 \\sim Rh07-C1BA
 with sigma of 0.02
 C77-C088 \\sim C08L-C06M
 with sigma of 0.02
 C08L-C06M \\sim C075-C088
 with sigma of 0.02
 C0BA-C77 \\sim C0BA-C08L
 with sigma of 0.02
 C0AI-C8AA \\sim C0AI-C4AA
 with sigma of 0.02
 C09W-C7AA \\sim C09W-C07R
 with sigma of 0.02
 C03C-C06I \\sim C04F-C05P
 with sigma of 0.02
 C106-C03C \\sim C106-C05P
 with sigma of 0.02
 C09Z-C06I \\sim C09Z-C04U
 with sigma of 0.02
 C5AA-C06I \\sim C5AA-C03C
 with sigma of 0.02
 C130-C094 \\sim C130-C8BA
 with sigma of 0.02
 C97-C093 \\sim C97-C0B3
 with sigma of 0.02
 C097-C08X \\sim C2AA-C082
 with sigma of 0.02
 Rh0A-C3BA \\sim Rh0A-C094 \\sim Rh0A-C247
 with sigma of 0.02
 C3BA-C094 \\sim C247-C180
 with sigma of 0.02
 C180-C3BA \\sim C247-C8BA
 with sigma of 0.02
 C230-C247 \\sim C230-C8BA
 with sigma of 0.02
 C141-C075 \\sim C141-C088
 with sigma of 0.02
 F92-F058 \\sim F058-F09N \\sim F09N-F92
 with sigma of 0.02
 O31-O086 \\sim O086-O96 \\sim O96-O31
 with sigma of 0.02
 F04K-F56 \\sim F56-F25 \\sim F25-F04K
 with sigma of 0.02
 S00H-C021 \\sim S00H-C035
 with sigma of 0.02
 F23-F10 \\sim F10-F0AA \\sim F0AA-F23
 with sigma of 0.02
 F46-F38 \\sim F38-F6 \\sim F6-F46
 with sigma of 0.02
 C6AA-C09U \\sim C6AA-C1BA
 with sigma of 0.02
 C0B2-C0AB \\sim C0B2-C143
 with sigma of 0.02
 C1BA-C09U \\sim C0AB-C04V
 with sigma of 0.02
 C1BA-C04V \\sim C143-C09U
 with sigma of 0.02
 C128-C04V \\sim C128-C1BA
 with sigma of 0.02
 C09J-C77 \\sim C09J-C088
 with sigma of 0.02
 C082-C87 \\sim N085-C6BA \\sim C08X-C074
 with sigma of 0.02
 C074-C082 \\sim C87-C08X
 with sigma of 0.02
 N085-C87 \\sim C082-C6BA
 with sigma of 0.02
 C06T-C08B \\sim C05S-C45 \\sim C37-C05G
 with sigma of 0.02
 O01D-C05S \\sim O01D-C05G
 with sigma of 0.02
 N053-C08R \\sim C06C-C073 \\sim C94-C08U
 with sigma of 0.02
 N053-C073 \\sim C06C-C08R
 with sigma of 0.02
 C04A-C08W \\sim C08J-C05O
 with sigma of 0.02
 C3AA-C06D \\sim C07V-C05Y
 with sigma of 0.02
 C01N-C019 \\sim C01O-C014
 with sigma of 0.02
 C115-C180 \\sim C115-C3BA
 with sigma of 0.02
 C0AO-C1AA \\sim C0AO-C0A0
 with sigma of 0.02
 C61-C04V \\sim C61-C0AB
 with sigma of 0.02
 C096-C094 \\sim C096-C3BA
 with sigma of 0.02
 C103-C077 \\sim C103-C072
 with sigma of 0.02
 C90-C247 \\sim C90-C180
 with sigma of 0.02
 C08I-C09U \\sim C08I-C143
 with sigma of 0.02
 C70-C1AA \\sim C70-C07I
 with sigma of 0.02
 C164-C075 \\sim C164-C06M
 with sigma of 0.02
 C86-C4AA \\sim C86-C07K
 with sigma of 0.02
3. Restrained planarity
 O00Y, C03A, C01I, C01T, O00T
 with sigma of 0.1
 C01V, C078, C05Z, C06S, C05V, C024, C83, C037
 with sigma of 0.1
 C6BA, C08X, C082, N085, C074, C87
 with sigma of 0.1
 C096, C247, C094, C90, C130, C3BA, C230
 with sigma of 0.1
 C180, C130, C8BA, C115, C3BA, C230, C247, C096, C094, C90
 with sigma of 0.1
 C075, C088, C218, C08L, C06M, C09J, C77, C164, C0BA
 with sigma of 0.1
4. Rigid bond restraints
 C93, C077, C06U, C51
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C03U, C04R, C033
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C087, C07D, C05T, C084
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C128, C143, C1BA, C0B2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C127, C1CA, C88
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C08L, C075, C77, C06M, C088
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C0AI, C07A, C4AA, C105
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C09W, C05I, C07R, C08S
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C05R, C07T, C0AA, C054
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C94, C08R, C073
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C142, C03C, C04U, C106
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C5BA, C06I, C05P, C09Z
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C074, N085, C082, C08X
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C247, C094, C180, C8BA, C3BA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C247, C3BA, C8BA, C180, C094
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C127, C73, C07J, C092, C88
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C03B, C03P, C066
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C141, C08L, C075, C0BA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C05C, S00N, O086, O31, O96, F058, F09N, F92
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C7, F04K, F25, S0AA, F56, O060, O9
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C75, S1AA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C6AA, C0AB, C1BA, C0B2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C04V, C09U, C0AB
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C09J, C06M, C088
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C87, C6BA, C08X
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C05K, C04T, C07O
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C08U, N053, C06C
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Rh0A, O55, C092
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Rh0A, C3BA, C230
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Rh0A, C247
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 S1, C59, F46
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C75, S1AA, O7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O55, C092, C07J, C9AA, O65
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 Rh6, O65, C9AA
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C130, C180, C8BA, C115
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C0AO, C093, C0A0, C150
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C096, C247, C094, C90
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C08I, C04V, C143, C128
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C97, C1AA, C0B3, C70
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C164, C77, C075, C0BA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
Uanis(C0A0) \\sim Ueq, Uanis(C07I) \\sim Ueq, Uanis(C0B3) \\sim Ueq,
Uanis(C1AA) \\sim Ueq, Uanis(C093) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C07K) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C4AA) \\sim Ueq,
Uanis(C07A) \\sim Ueq, Uanis(C8AA) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O05Q) \\sim Ueq, Uanis(O04Z) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C06P) \\sim Ueq, Uanis(C05U) \\sim Ueq, Uanis(C065) \\sim Ueq,
Uanis(C04P) \\sim Ueq, Uanis(C04O) \\sim Ueq, Uanis(C06V) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C32) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(C05G) \\sim Ueq, Uanis(C33)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C94) \\sim Ueq, Uanis(C06C) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C02N)
\\sim Ueq, Uanis(N015) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(N038) \\sim Ueq, Uanis(C06Y) \\sim Ueq, Uanis(C042) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C7BA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C07E) \\sim Ueq, Uanis(C04G) \\sim Ueq, Uanis(C07X) \\sim Ueq,
Uanis(C9AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03G) \\sim Ueq, Uanis(C08F) \\sim Ueq, Uanis(C0CA) \\sim Ueq,
Uanis(C05M) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C05J) \\sim Ueq, Uanis(C07R) \\sim Ueq, Uanis(C05I) \\sim Ueq,
Uanis(C7AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C04R) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C06A) \\sim Ueq,
Uanis(C06F) \\sim Ueq, Uanis(C03F) \\sim Ueq, Uanis(C033) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C83) \\sim Ueq, Uanis(C024) \\sim Ueq, Uanis(C05V) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C01V) \\sim Ueq, Uanis(C05Z) \\sim Ueq, Uanis(C078) \\sim Ueq,
Uanis(C06S) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O02X) \\sim Ueq, Uanis(O023) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C03I) \\sim Ueq, Uanis(C069) \\sim Ueq, Uanis(C027) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C081) \\sim Ueq, Uanis(C06Q) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C0AJ) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C05T) \\sim Ueq, Uanis(C04C) \\sim Ueq, Uanis(C04E) \\sim Ueq,
Uanis(C06J) \\sim Ueq, Uanis(C07D) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C084) \\sim Ueq, Uanis(C087) \\sim Ueq, Uanis(C07M) \\sim Ueq,
Uanis(C08K) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C07F) \\sim Ueq, Uanis(C052) \\sim Ueq, Uanis(C03M) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C04Q) \\sim Ueq, Uanis(C055) \\sim Ueq, Uanis(C05B) \\sim Ueq,
Uanis(C043) \\sim Ueq, Uanis(C02K) \\sim Ueq, Uanis(C04M) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(N025) \\sim Ueq, Uanis(C07B) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C25)
\\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C076) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C0AA) \\sim Ueq, Uanis(C07T) \\sim Ueq, Uanis(C05R) \\sim Ueq,
Uanis(C054) \\sim Ueq, Uanis(S00M) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N04L) \\sim Ueq, Uanis(C05X) \\sim Ueq, Uanis(C04Y) \\sim Ueq,
Uanis(C034) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C06X) \\sim Ueq, Uanis(C070) \\sim Ueq, Uanis(N01J) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03S) \\sim Ueq, Uanis(C02P) \\sim Ueq, Uanis(C021) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03L) \\sim Ueq, Uanis(C08C) \\sim Ueq, Uanis(C02T) \\sim Ueq,
Uanis(C04X) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C04I) \\sim Ueq, Uanis(C06R) \\sim Ueq, Uanis(C03Z) \\sim Ueq,
Uanis(C059) \\sim Ueq, Uanis(N01S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C056) \\sim Ueq, Uanis(C06K) \\sim Ueq, Uanis(C02O) \\sim Ueq,
Uanis(N01X) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03K) \\sim Ueq, Uanis(C06W) \\sim Ueq, Uanis(C064) \\sim Ueq,
Uanis(C2BA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C04J) \\sim Ueq, Uanis(C03B) \\sim Ueq, Uanis(C03P) \\sim Ueq,
Uanis(C066) \\sim Ueq, Uanis(C04N) \\sim Ueq, Uanis(N01Q) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03O) \\sim Ueq, Uanis(C31) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C02S) \\sim Ueq, Uanis(C03Q) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C046) \\sim Ueq, Uanis(C06Q) \\sim Ueq, Uanis(C07C) \\sim Ueq,
Uanis(C081) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O017) \\sim Ueq, Uanis(C02W) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C02B) \\sim Ueq, Uanis(O00Y) \\sim Ueq, Uanis(C03A) \\sim Ueq,
Uanis(C01U) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C06U) \\sim Ueq, Uanis(C077) \\sim Ueq, Uanis(C09H) \\sim Ueq,
Uanis(C072) \\sim Ueq, Uanis(C06L) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C05Y) \\sim Ueq, Uanis(C3AA) \\sim Ueq, Uanis(C07V) \\sim Ueq,
Uanis(C06D) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N039) \\sim Ueq, Uanis(C2AA) \\sim Ueq, Uanis(C097) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C05O) \\sim Ueq, Uanis(C04A) \\sim Ueq, Uanis(C08J) \\sim Ueq,
Uanis(C08W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C07S) \\sim Ueq, Uanis(C063) \\sim Ueq, Uanis(C044) \\sim Ueq,
Uanis(C05F) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03N) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C071) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N02G) \\sim Ueq, Uanis(C05N) \\sim Ueq, Uanis(C06N) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03W) \\sim Ueq, Uanis(C04B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C01N) \\sim Ueq, Uanis(C014) \\sim Ueq, Uanis(C019) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(N00W) \\sim Ueq, Uanis(C01Z) \\sim Ueq, Uanis(C02R) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(O01M) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C04H) \\sim Ueq, Uanis(C03R) \\sim Ueq, Uanis(C07W) \\sim Ueq,
Uanis(C04W) \\sim Ueq, Uanis(C06B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C0AH) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C068) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N01E) \\sim Ueq, Uanis(C02U) \\sim Ueq, Uanis(C062) \\sim Ueq,
Uanis(C03J) \\sim Ueq, Uanis(C040) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N02F) \\sim Ueq, Uanis(C05D) \\sim Ueq, Uanis(C089) \\sim Ueq,
Uanis(C061) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C07H) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02L) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C127) \\sim Ueq, Uanis(C1CA) \\sim Ueq, Uanis(C88) \\sim Ueq, Uanis(C092)
\\sim Ueq, Uanis(C07J) \\sim Ueq, Uanis(C73) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O01D) \\sim Ueq, Uanis(O013) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C08L) \\sim Ueq, Uanis(C088) \\sim Ueq, Uanis(C06M) \\sim Ueq, Uanis(C77)
\\sim Ueq, Uanis(C075) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C057) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C0AT) \\sim Ueq, Uanis(C09M) \\sim Ueq, Uanis(C0A8) \\sim Ueq,
Uanis(C09W) \\sim Ueq, Uanis(C08S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(S00E) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02Q) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C05P) \\sim Ueq, Uanis(C06I) \\sim Ueq, Uanis(C04F) \\sim Ueq,
Uanis(C03C) \\sim Ueq, Uanis(C04U) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C142) \\sim Ueq, Uanis(C5AA) \\sim Ueq, Uanis(C5BA) \\sim Ueq,
Uanis(C09Z) \\sim Ueq, Uanis(C106) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C97) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C3BA) \\sim Ueq, Uanis(C247) \\sim Ueq, Uanis(C094) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(F02J) \\sim Ueq, Uanis(F020) \\sim Ueq, Uanis(F012) \\sim Ueq,
Uanis(O03T) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C050) \\sim Ueq, Uanis(C03X) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(F8AA) \\sim Ueq, Uanis(C4BA) \\sim Ueq, Uanis(F15) \\sim Ueq, Uanis(F30)
\\sim Ueq, Uanis(S48) \\sim Ueq, Uanis(O45) \\sim Ueq, Uanis(O136) \\sim Ueq,
Uanis(O18) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F09N) \\sim Ueq, Uanis(S00N) \\sim Ueq, Uanis(C05C) \\sim Ueq,
Uanis(O086) \\sim Ueq, Uanis(O31) \\sim Ueq, Uanis(O96) \\sim Ueq, Uanis(F058)
\\sim Ueq, Uanis(F92) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(F56) \\sim Ueq, Uanis(F04K) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(F25)
\\sim Ueq, Uanis(S0AA) \\sim Ueq, Uanis(O060) \\sim Ueq, Uanis(O9) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C035) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C03H) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C01K) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O19) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C75) \\sim Ueq, Uanis(S1AA) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(O12)
\\sim Ueq, Uanis(O14) \\sim Ueq, Uanis(F10) \\sim Ueq, Uanis(F0AA) \\sim Ueq,
Uanis(F23) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C143) \\sim Ueq, Uanis(C04V) \\sim Ueq, Uanis(C09U) \\sim Ueq,
Uanis(C0AB) \\sim Ueq, Uanis(C1BA) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C051) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N085) \\sim Ueq, Uanis(C074) \\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C6BA)
\\sim Ueq, Uanis(C08X) \\sim Ueq, Uanis(C082) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C06T) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C05S) \\sim Ueq, Uanis(C08B)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C07O) \\sim Ueq, Uanis(C02E) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C037) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C04T) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C77) \\sim Ueq, Uanis(C075) \\sim Ueq, Uanis(C0BA) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C073) \\sim Ueq, Uanis(C08U) \\sim Ueq, Uanis(C08R) \\sim Ueq,
Uanis(N053) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O01A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O01F) \\sim Ueq, Uanis(O01P) \\sim Ueq, Uanis(O00V) \\sim Ueq,
Uanis(O00X) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O0AA) \\sim Ueq, Uanis(S1) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(O16)
\\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F38) \\sim Ueq,
Uanis(F46) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O76) \\sim Ueq, Uanis(O041) \\sim Ueq, Uanis(O65) \\sim Ueq, Uanis(O55)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C180) \\sim Ueq, Uanis(C8BA) \\sim Ueq, Uanis(C115) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C02V) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C93) \\sim Ueq, Uanis(C103) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C0AD)
\\sim Ueq, Uanis(C51) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C230) \\sim Ueq, Uanis(C096) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C130)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C08I) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C6AA) \\sim Ueq, Uanis(C0B2)
\\sim Ueq, Uanis(C128) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C70) \\sim Ueq, Uanis(C150) \\sim Ueq, Uanis(C0AO) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C164) \\sim Ueq, Uanis(C09J) \\sim Ueq, Uanis(C218) \\sim Ueq,
Uanis(C141) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C86) \\sim Ueq, Uanis(C105) \\sim Ueq, Uanis(C0AI) \\sim Ueq, Uanis(C96)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
6. Others
 Fixed Sof: Rh0A(0.5) Rh6(0.5)
7.a Me refined with riding coordinates:
 C08I(H08L,H08M,H08N), C096(H09A,H09B,H09C), C0AO(H0AP,H0AQ,H0AR), C86(H86A,
 H86B,H86C), C90(H90A,H90B,H90C), C61(H61A,H61B,H61C), C164(H16A,H16B,H16C),
 C70(H70A,H70B,H70C), C115(H11A,H11B,H11C)
7.b Aromatic/amide H refined with riding coordinates:
 C010(H010), C01N(H01N), C01O(H01O), C01U(H01U), C01Z(H01Z), C022(H022),
 C026(H026), C02B(H02D), C02N(H02N), C02O(H02O), C02P(H02P), C02Q(H02Q),
 C02R(H02R), C02T(H02T), C02V(H02V), C034(H034), C03H(H03H), C03J(H03J),
 C03N(H03N), C03O(H03O), C03P(H03P), C03R(H03R), C03S(H03S), C03U(H03U),
 C03V(H03V), C03W(H03W), C03Y(H03Y), C040(H040), C042(H042), C044(H044),
 C04H(H04H), C04I(H04I), C04N(H04N), C04P(H04P), C04Q(H04Q), C04T(H04T),
 C04Y(H04Y), C051(H051), C052(H052), C055(H055), C056(H056), C05A(H05A),
 C05B(H05B), C05D(H05D), C05F(H05F), C05M(H05M), C05N(H05N), C05S(H05S),
 C05U(H05U), C05X(H05X), C05Z(H05Z), C061(H061), C063(H063), C064(H064),
 C065(H065), C066(H066), C068(H068), C06A(H06A), C06F(H06F), C06K(H06K),
 C06N(H06N), C06R(H06R), C06S(H06S), C06T(H06T), C06W(H06W), C06X(H06X),
 C06Y(H06Y), C070(H070), C073(H073), C074(H074), C076(H076), C078(H078),
 C07F(H07F), C07H(H07H), C07O(H07O), C07T(H07T), C07V(H07V), C07W(H07W),
 C089(H089), C08C(H08J), C08F(H08K), C08J(H08O), C08R(H08S), C08U(H08W),
 C08W(H08X), C097(H097), C22(H22), C25(H25), C31(H31), C37(H37), C71(H71),
 C87(H87), C88(H88), C3AA(H3AA), C0AA(H0AV), C2AA(H2AA), C6BA(H6BA), C0CA(H0CA),
  C127(H127), C1CA(H1CA)
7.c Idealised Me refined as rotating group:
 C02A(H02A,H02B,H02C), C046(H04A,H04B,H04C), C06Q(H06B,H06C,H06D), C07C(H07A,
 H07B,H07C), C07M(H07D,H07E,H07G), C081(H08A,H08B,H08C), C084(H08D,H08E,H08F),
 C087(H08G,H08H,H08I), C08K(H08P,H08Q,H08R), C08S(H08T,H08U,H08V), C09J(H09D,
 H09E,H09F), C09M(H09G,H09H,H09I), C09W(H09J,H09K,H09L), C09Z(H09M,H09N,H09O),
 C0A8(H0AA,H0AB,H0AC), C0AD(H0AD,H0AE,H0AF), C0AH(H0AG,H0AH,H0AI), C0AI(H0AJ,
 H0AK,H0AL), C0AJ(H0AM,H0AN,H0AO), C0AT(H0AS,H0AT,H0AU), C0B2(H0BA,H0BB,H0BC),
 C67(H67A,H67B,H67C), C5AA(H5AA,H5AB,H5AC), C51(H51A,H51B,H51C), C93(H93A,H93B,
 H93C), C0BA(H0BD,H0BE,H0BF), C218(H21A,H21B,H21C), C128(H12A,H12B,H12C),
 C150(H15A,H15B,H15C), C105(H10A,H10B,H10C), C106(H10D,H10E,H10F), C142(H14A,
 H14B,H14C), C230(H23A,H23B,H23C), C96(H96A,H96B,H96C), C5BA(H5BA,H5BB,H5BC),
 C130(H13A,H13B,H13C), C141(H14D,H14E,H14F), C103(H10G,H10H,H10I), C7BA(H7BA,
 H7BB,H7BC), C6AA(H6AA,H6AB,H6AC), C97(H97A,H97B,H97C)
;
_atom_sites_solution_hydrogens     geom
_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
 Rh01 Rh 0.22229(5) 0.54979(5) 0.51224(3) 0.1041(3) Uani 1 1 d . . . . .
 Rh02 Rh 0.23600(6) 0.31022(4) 0.28414(3) 0.1166(4) Uani 1 1 d . . . . .
 Rh03 Rh -0.09409(6) 0.70645(4) 0.36454(3) 0.1174(4) Uani 1 1 d . . . . .
 Rh04 Rh 0.23163(9) 0.97862(5) 0.41633(4) 0.1522(6) Uani 1 1 d . . . . .
 Rh05 Rh 0.11188(9) 1.03884(5) 0.19179(4) 0.1494(6) Uani 1 1 d D . . . .
 Rh06 Rh 0.98424(8) 0.50133(7) 0.12471(4) 0.1588(6) Uani 1 1 d . . . . .
 Rh07 Rh 0.68120(7) 0.23054(7) 0.33236(4) 0.1544(6) Uani 1 1 d D . . . .
 Rh08 Rh 0.58854(12) 0.82085(5) 0.00037(5) 0.1807(8) Uani 1 1 d D . . . .
 Rh00 Rh 0.70646(15) 0.36444(9) 0.02563(4) 0.2106(9) Uani 1 1 d D . . . .
 S00C S 0.25716(17) 0.55462(12) 0.36760(8) 0.0930(8) Uani 1 1 d . . . . .
 S00D S 0.39395(17) 0.43659(15) 0.32903(10) 0.1109(10) Uani 1 1 d . . . . .
 S00E S 0.56039(17) 0.38665(15) 0.23544(10) 0.1112(10) Uani 1 1 d . U . . .
 S00F S 0.1967(2) 0.71885(13) 0.37762(11) 0.1114(10) Uani 1 1 d D . . . .
 S00G S 0.69613(19) 0.43325(15) 0.17606(10) 0.1127(10) Uani 1 1 d D . . . .
 S00H S 0.7076(2) 0.58216(15) 0.12672(11) 0.1242(12) Uani 1 1 d D . . . .
 S00I S 0.2229(2) 0.83653(15) 0.32512(12) 0.1268(12) Uani 1 1 d D . . . .
 S00J S 0.1884(3) 0.35289(19) 0.45201(14) 0.1350(14) Uani 1 1 d D . . . .
 S00K S 0.3651(2) 0.91110(16) 0.25009(12) 0.1337(13) Uani 1 1 d . . . . .
 S00L S 0.5014(2) 0.86244(15) 0.17283(13) 0.1403(16) Uani 1 1 d D . . . .
 S00M S 0.6640(2) 0.72701(16) 0.13403(12) 0.1319(13) Uani 1 1 d D U . . .
 S00N S 0.8977(3) 0.4614(2) 0.31440(15) 0.1601(16) Uani 1 1 d D U . . .
 O00S O -0.0305(5) 0.7012(3) 0.4048(3) 0.108(2) Uani 1 1 d D . . . .
 O00T O 0.1621(4) 0.5526(3) 0.4688(2) 0.095(2) Uani 1 1 d D . . . .
 N00U N 0.2103(5) 0.4919(4) 0.3306(3) 0.089(3) Uani 1 1 d . . . . .
 O00V O 0.3147(5) 0.3023(3) 0.3163(2) 0.112(3) Uani 1 1 d D U . . .
 N00W N 0.2389(5) 0.3880(4) 0.2735(3) 0.105(3) Uani 1 1 d D U . . .
 O00X O 0.3177(6) 0.2968(4) 0.2424(3) 0.139(3) Uani 1 1 d D U . . .
 O00Y O 0.2117(5) 0.6228(4) 0.4962(2) 0.115(3) Uani 1 1 d D U . . .
 O00Z O 0.2267(6) 0.3545(5) 0.4818(4) 0.163(4) Uani 1 1 d D . . . .
 C010 C 0.0851(6) 0.5251(4) 0.4226(3) 0.090(3) Uani 1 1 d D . . . .
 H010 H 0.1157 0.4993 0.4363 0.108 Uiso 1 1 calc R . . . .
 F012 F 0.0637(6) 0.3335(5) 0.4560(3) 0.174(4) Uani 1 1 d D U . . .
 O013 O 0.9009(6) 0.5070(4) 0.0963(3) 0.138(3) Uani 1 1 d D U . . .
 C014 C 0.2234(6) 0.4693(4) 0.2964(3) 0.085(3) Uani 1 1 d D U . . .
 N015 N 0.5614(6) 0.3762(5) 0.1626(3) 0.110(3) Uani 1 1 d D U . . .
 C016 C 0.0757(6) 0.5765(4) 0.4286(3) 0.088(3) Uani 1 1 d D . . . .
 O017 O -0.0449(6) 0.6323(4) 0.3602(3) 0.132(3) Uani 1 1 d D U . . .
 N018 N 0.0977(7) 0.8130(4) 0.3197(3) 0.111(3) Uani 1 1 d D . . . .
 C019 C 0.2293(6) 0.4196(4) 0.3029(3) 0.083(3) Uani 1 1 d D U . . .
 O01A O 0.1826(6) 0.9681(4) 0.3749(3) 0.147(4) Uani 1 1 d D U . . .
 C01C C 0.0553(6) 0.6775(5) 0.4457(3) 0.092(3) Uani 1 1 d D . . . .
 O01D O 0.9354(6) 0.4508(4) 0.1558(3) 0.143(3) Uani 1 1 d D U . . .
 N01E N 0.2356(7) 0.7860(4) 0.4152(3) 0.108(3) Uani 1 1 d . U . . .
 O01F O 0.5976(6) 0.2679(5) 0.3690(3) 0.151(4) Uani 1 1 d D U . . .
 C01G C 0.2056(7) 0.5420(4) 0.3361(3) 0.092(3) Uani 1 1 d . . . . .
 C01H C 0.0295(6) 0.6150(4) 0.4080(3) 0.080(3) Uani 1 1 d D . . . .
 C01I C 0.1125(6) 0.6382(5) 0.4620(3) 0.085(3) Uani 1 1 d D . . . .
 N01J N 0.6574(7) 0.6393(5) 0.0677(3) 0.114(3) Uani 1 1 d D U . . .
 C01K C 0.2424(7) 0.6570(4) 0.3800(3) 0.098(3) Uani 1 1 d D U . . .
 N01L N 0.3928(6) 0.4459(4) 0.4027(3) 0.111(3) Uani 1 1 d . . . . .
 O01M O 0.1712(6) 1.0369(4) 0.2316(3) 0.141(3) Uani 1 1 d D U . . .
 C01N C 0.2096(6) 0.4535(4) 0.3577(3) 0.086(3) Uani 1 1 d D U . . .
 H01N H 0.2040 0.4576 0.3836 0.103 Uiso 1 1 calc R . . . .
 C01O C 0.2184(6) 0.4077(4) 0.3417(4) 0.097(3) Uani 1 1 d D . . . .
 H01O H 0.2174 0.3756 0.3539 0.117 Uiso 1 1 calc R . . . .
 O01P O 0.6052(6) 0.2512(5) 0.2973(3) 0.138(3) Uani 1 1 d D U . . .
 N01Q N 0.3180(5) 0.5331(4) 0.4723(3) 0.098(3) Uani 1 1 d D U . . .
 N01S N 0.7465(6) 0.3743(5) 0.2356(3) 0.109(3) Uani 1 1 d . U . . .
 C01T C 0.1201(6) 0.5885(5) 0.4535(3) 0.084(3) Uani 1 1 d D . . . .
 C01U C 0.1352(7) 0.7063(4) 0.4935(4) 0.110(4) Uani 1 1 d D U . . .
 H01U H 0.1607 0.7164 0.5103 0.132 Uiso 1 1 calc R . . . .
 C01V C 0.2925(8) 1.0074(5) 0.3390(4) 0.134(5) Uani 1 1 d D U . . .
 N01X N 0.7039(6) 0.3040(4) 0.3173(3) 0.121(4) Uani 1 1 d D U . . .
 C01Y C 0.0168(7) 0.6643(5) 0.4198(3) 0.099(4) Uani 1 1 d D . . . .
 C01Z C 0.2473(6) 0.4083(5) 0.2402(3) 0.095(3) Uani 1 1 d D U . . .
 H01Z H 0.2568 0.3868 0.2200 0.114 Uiso 1 1 calc R . . . .
 F020 F 0.0781(6) 0.3710(6) 0.5014(4) 0.190(4) Uani 1 1 d D U . . .
 C021 C 0.6895(8) 0.5234(5) 0.1369(4) 0.110(4) Uani 1 1 d D U . . .
 C022 C 0.0799(7) 0.7407(5) 0.4801(3) 0.104(4) Uani 1 1 d D . . . .
 H022 H 0.0679 0.7748 0.4873 0.125 Uiso 1 1 calc R . . . .
 O023 O 0.3050(6) 0.9898(4) 0.3702(4) 0.149(4) Uani 1 1 d D U . . .
 C024 C 0.2346(7) 1.0045(5) 0.3203(4) 0.134(5) Uani 1 1 d D U . . .
 N025 N 0.9115(7) 0.5578(5) 0.1600(3) 0.134(4) Uani 1 1 d D U . . .
 C026 C 0.0039(6) 0.5482(4) 0.3763(3) 0.093(3) Uani 1 1 d D . . . .
 H026 H -0.0207 0.5383 0.3589 0.111 Uiso 1 1 calc R . . . .
 C027 C 0.1449(7) 0.5480(5) 0.5597(3) 0.105(4) Uani 1 1 d D U . . .
 C028 C 0.0808(8) 0.7730(4) 0.3076(4) 0.113(4) Uani 1 1 d D . . . .
 C02A C 0.0668(8) 0.5769(6) 0.5650(5) 0.126(5) Uani 1 1 d . . . . .
 H02A H 0.0630 0.6135 0.5618 0.189 Uiso 1 1 calc GR . . . .
 H02B H 0.0446 0.5689 0.5901 0.189 Uiso 1 1 calc GR . . . .
 H02C H 0.0420 0.5672 0.5467 0.189 Uiso 1 1 calc GR . . . .
 C02B C 0.0489(6) 0.5123(4) 0.3964(3) 0.092(3) Uani 1 1 d D U . . .
 H02D H 0.0558 0.4773 0.3924 0.110 Uiso 1 1 calc R . . . .
 C02E C 0.4754(6) 0.4123(4) 0.3017(4) 0.097(3) Uani 1 1 d D U . . .
 N02F N 0.2867(7) 0.8991(4) 0.4147(4) 0.138(4) Uani 1 1 d D U . . .
 N02G N 0.3672(8) 0.9116(5) 0.1544(3) 0.126(4) Uani 1 1 d . U . . .
 N02H N -0.0067(6) 0.7222(4) 0.3268(3) 0.114(3) Uani 1 1 d D . . . .
 O02I O 0.1600(7) 0.4019(4) 0.4344(4) 0.162(4) Uani 1 1 d D . . . .
 F02J F 0.1261(7) 0.2932(6) 0.4973(4) 0.212(5) Uani 1 1 d D U . . .
 C02K C 0.3847(7) 0.2905(5) 0.3098(3) 0.098(3) Uani 1 1 d D U . . .
 C02L C 0.2211(7) 0.6195(5) 0.3608(3) 0.097(3) Uani 1 1 d D U . . .
 C02N C 0.6179(9) 0.3347(6) 0.1580(4) 0.128(5) Uani 1 1 d D U . . .
 H02N H 0.6315 0.3084 0.1765 0.153 Uiso 1 1 calc R . . . .
 C02O C 0.7005(9) 0.3327(6) 0.3443(4) 0.140(5) Uani 1 1 d D U . . .
 H02O H 0.6953 0.3194 0.3693 0.168 Uiso 1 1 calc R . . . .
 C02P C 0.6525(9) 0.5148(6) 0.1119(5) 0.132(5) Uani 1 1 d . U . . .
 H02P H 0.6375 0.4844 0.1126 0.159 Uiso 1 1 calc R . . . .
 C02Q C 0.0385(7) 0.7276(5) 0.4554(3) 0.100(3) Uani 1 1 d D U . . .
 H02Q H 0.0003 0.7526 0.4459 0.121 Uiso 1 1 calc R . . . .
 C02R C 0.2433(7) 0.4589(5) 0.2323(3) 0.103(4) Uani 1 1 d D U . . .
 H02R H 0.2500 0.4713 0.2071 0.124 Uiso 1 1 calc R . . . .
 C02S C 0.1750(8) 0.4987(5) 0.5495(4) 0.119(4) Uani 1 1 d D U . . .
 C02T C 0.7713(9) 0.4587(6) 0.2189(4) 0.140(5) Uani 1 1 d D U . . .
 H02T H 0.7982 0.4588 0.2385 0.168 Uiso 1 1 calc R . . . .
 C02U C 0.2865(7) 0.8109(4) 0.4142(4) 0.108(4) Uani 1 1 d D U . . .
 C02V C 0.2950(9) 0.6485(5) 0.4026(4) 0.128(5) Uani 1 1 d D U . . .
 H02V H 0.3249 0.6158 0.4083 0.153 Uiso 1 1 calc R . . . .
 C02W C -0.0053(7) 0.5989(5) 0.3818(4) 0.104(4) Uani 1 1 d D U . . .
 O02X O 0.0588(6) 1.0003(4) 0.2312(3) 0.150(4) Uani 1 1 d D U . . .
 C02Y C 0.4226(7) 0.2816(4) 0.2738(3) 0.105(4) Uani 1 1 d D . . . .
 C02Z C 0.4981(7) 0.2755(6) 0.3384(4) 0.114(4) Uani 1 1 d D . . . .
 N030 N 0.1818(7) 0.9651(4) 0.1778(4) 0.131(4) Uani 1 1 d D . . . .
 C031 C 0.4213(7) 0.2877(4) 0.3419(4) 0.101(4) Uani 1 1 d D . . . .
 C032 C 0.1094(8) 0.3382(6) 0.4768(5) 0.136(5) Uani 1 1 d D . . . .
 C033 C 0.1216(7) 0.9950(5) 0.2833(3) 0.124(4) Uani 1 1 d D U . . .
 C034 C 0.5215(8) 0.6765(5) 0.0733(4) 0.119(4) Uani 1 1 d D U . . .
 H034 H 0.5081 0.6495 0.0885 0.143 Uiso 1 1 calc R . . . .
 C035 C 0.6632(8) 0.5950(6) 0.0889(4) 0.120(4) Uani 1 1 d D U . . .
 C037 C 0.1746(7) 1.0206(5) 0.2657(3) 0.123(4) Uani 1 1 d D U . . .
 N038 N 0.7971(8) 0.6799(6) 0.1450(4) 0.144(4) Uani 1 1 d D U . . .
 N039 N 0.4883(8) 0.9369(5) 0.2493(4) 0.146(4) Uani 1 1 d D U . . .
 C03A C 0.1560(6) 0.6554(4) 0.4829(3) 0.096(3) Uani 1 1 d D U . . .
 C03B C 0.3949(6) 0.4857(5) 0.4216(3) 0.099(3) Uani 1 1 d D U . . .
 C03C C -0.1889(10) 0.7598(6) 0.3893(4) 0.150(5) Uani 1 1 d D U . . .
 C03E C 0.4976(7) 0.2688(6) 0.2705(3) 0.111(4) Uani 1 1 d D . . . .
 C03F C 0.1234(7) 0.9790(6) 0.3208(3) 0.127(5) Uani 1 1 d D U . . .
 C03G C 0.5218(9) 0.8975(6) 0.0578(5) 0.143(5) Uani 1 1 d D U . . .
 C03H C 0.1654(8) 0.5855(5) 0.3229(4) 0.110(4) Uani 1 1 d D U . . .
 H03H H 0.1341 0.5859 0.3053 0.132 Uiso 1 1 calc R . . . .
 C03I C 0.2685(7) 0.5251(6) 0.5613(4) 0.118(4) Uani 1 1 d D U . . .
 C03J C 0.1803(8) 0.8674(5) 0.4206(4) 0.110(4) Uani 1 1 d D U . . .
 H03J H 0.1433 0.8982 0.4235 0.132 Uiso 1 1 calc R . . . .
 C03K C 0.5186(6) 0.3890(5) 0.1959(4) 0.101(3) Uani 1 1 d D U . . .
 C03L C 0.7155(7) 0.4923(5) 0.1663(4) 0.110(4) Uani 1 1 d D U . . .
 C03M C 0.5290(8) 0.2758(6) 0.3689(4) 0.128(5) Uani 1 1 d D U . . .
 C03N C 0.0550(7) 0.8253(5) 0.3520(4) 0.108(4) Uani 1 1 d D U . . .
 H03N H 0.0562 0.8524 0.3662 0.130 Uiso 1 1 calc R . . . .
 C03O C 0.3328(8) 0.4296(5) 0.4172(4) 0.118(4) Uani 1 1 d D U . . .
 H03O H 0.3208 0.4013 0.4092 0.142 Uiso 1 1 calc R . . . .
 C03P C 0.4428(7) 0.5158(5) 0.4202(4) 0.119(4) Uani 1 1 d D U . . .
 H03P H 0.4863 0.5089 0.4034 0.142 Uiso 1 1 calc R . . . .
 C03Q C 0.2507(8) 0.4828(6) 0.5500(4) 0.119(4) Uani 1 1 d D U . . .
 C03R C 0.1917(7) 0.8796(5) 0.1639(4) 0.116(4) Uani 1 1 d D U . . .
 H03R H 0.1694 0.8533 0.1619 0.139 Uiso 1 1 calc R . . . .
 C03S C 0.6362(9) 0.5556(6) 0.0828(5) 0.133(5) Uani 1 1 d D U . . .
 H03S H 0.6108 0.5547 0.0627 0.159 Uiso 1 1 calc R . . . .
 O03T O 0.2111(8) 0.3137(5) 0.4258(4) 0.190(5) Uani 1 1 d D U . . .
 C03U C 0.0094(8) 0.9702(6) 0.2860(4) 0.143(5) Uani 1 1 d D U . . .
 H03U H -0.0292 0.9670 0.2742 0.171 Uiso 1 1 calc R . . . .
 C03V C 0.6530(7) 0.3369(5) 0.1220(4) 0.123(4) Uani 1 1 d D U . . .
 H03V H 0.6952 0.3131 0.1116 0.148 Uiso 1 1 calc R . . . .
 C03W C 0.4421(9) 0.8327(6) 0.1245(4) 0.135(5) Uani 1 1 d D U . . .
 H03W H 0.4093 0.8306 0.1084 0.162 Uiso 1 1 calc R . . . .
 C03X C 0.5946(8) 0.6742(5) 0.0618(4) 0.131(5) Uani 1 1 d D U . . .
 C03Y C 0.0094(7) 0.7940(5) 0.3621(4) 0.110(4) Uani 1 1 d D . . . .
 H03Y H -0.0237 0.7946 0.3843 0.132 Uiso 1 1 calc R . . . .
 C03Z C 0.7208(7) 0.3199(5) 0.2818(3) 0.104(4) Uani 1 1 d D U . . .
 C040 C 0.1710(9) 0.8172(5) 0.4197(4) 0.117(4) Uani 1 1 d D U . . .
 H040 H 0.1264 0.8083 0.4220 0.141 Uiso 1 1 calc R . . . .
 O041 O 0.6485(7) 0.8225(5) 0.0405(4) 0.179(5) Uani 1 1 d D U . . .
 C042 C 0.8764(9) 0.6222(6) 0.1091(4) 0.134(5) Uani 1 1 d D U . . .
 H042 H 0.9047 0.6060 0.0878 0.161 Uiso 1 1 calc R . . . .
 C043 C 0.3884(7) 0.2856(5) 0.2416(4) 0.113(4) Uani 1 1 d D U . . .
 C044 C 0.0748(9) 0.7103(6) 0.2681(4) 0.135(5) Uani 1 1 d D U . . .
 H044 H 0.0912 0.6929 0.2458 0.162 Uiso 1 1 calc R . . . .
 C046 C 0.3010(10) 0.4341(6) 0.5398(5) 0.148(6) Uani 1 1 d D U . . .
 H04A H 0.2780 0.4160 0.5255 0.221 Uiso 1 1 calc GR . . . .
 H04B H 0.3140 0.4134 0.5623 0.221 Uiso 1 1 calc GR . . . .
 H04C H 0.3445 0.4402 0.5247 0.221 Uiso 1 1 calc GR . . . .
 C048 C 0.2480(7) 0.7352(5) 0.4056(4) 0.107(4) Uani 1 1 d D . . . .
 C04A C 0.1530(8) 0.8364(5) 0.3024(4) 0.108(4) Uani 1 1 d D U . . .
 C04B C 0.4300(8) 0.8706(5) 0.1488(4) 0.120(4) Uani 1 1 d D U . . .
 C04C C 0.1637(9) 0.2835(6) 0.2580(3) 0.149(6) Uani 1 1 d D U . . .
 C04E C 0.1978(8) 0.2451(5) 0.2833(4) 0.130(5) Uani 1 1 d D U . . .
 C04F C -0.2003(8) 0.7116(6) 0.3924(4) 0.131(5) Uani 1 1 d D U . . .
 C04G C 0.5867(8) 0.8932(6) 0.0720(5) 0.154(6) Uani 1 1 d D U . . .
 C04H C 0.1504(7) 0.9267(5) 0.1739(4) 0.121(4) Uani 1 1 d D U . . .
 H04H H 0.0994 0.9330 0.1781 0.146 Uiso 1 1 calc R . . . .
 C04I C 0.7433(7) 0.3282(5) 0.2205(4) 0.116(4) Uani 1 1 d D U . . .
 H04I H 0.7493 0.3219 0.1949 0.139 Uiso 1 1 calc R . . . .
 C04J C 0.3328(6) 0.4953(4) 0.4487(3) 0.099(3) Uani 1 1 d D U . . .
 F04K F 0.3723(10) 0.3685(7) 0.1205(4) 0.266(6) Uani 1 1 d D U . . .
 N04L N 0.5604(8) 0.7572(4) 0.0302(3) 0.136(4) Uani 1 1 d D U . . .
 C04M C 0.5359(9) 0.2649(6) 0.3023(4) 0.118(4) Uani 1 1 d D U . . .
 C04N C 0.3658(7) 0.5619(5) 0.4699(4) 0.125(4) Uani 1 1 d D U . . .
 H04N H 0.3574 0.5877 0.4869 0.150 Uiso 1 1 calc R . . . .
 C04O C 0.8298(7) 0.4856(5) 0.0569(3) 0.119(4) Uani 1 1 d D U . . .
 C04P C 0.8260(8) 0.5313(5) 0.0357(4) 0.130(5) Uani 1 1 d D U . . .
 H04P H 0.8502 0.5550 0.0413 0.156 Uiso 1 1 calc R . . . .
 C04Q C 0.5400(7) 0.2553(6) 0.2361(4) 0.139(5) Uani 1 1 d D U . . .
 H04Q H 0.5910 0.2434 0.2346 0.166 Uiso 1 1 calc R . . . .
 C04R C 0.0646(8) 0.9899(5) 0.2656(4) 0.122(4) Uani 1 1 d D U . . .
 C04T C 0.5049(9) 0.4123(6) 0.3613(4) 0.135(5) Uani 1 1 d D U . . .
 H04T H 0.5365 0.4083 0.3794 0.162 Uiso 1 1 calc R . . . .
 C04U C -0.1779(8) 0.7751(5) 0.3516(4) 0.123(4) Uani 1 1 d D U . . .
 C04V C 0.7189(12) 0.1709(10) 0.3731(4) 0.213(7) Uani 1 1 d D U . . .
 C04W C 0.2964(7) 0.9093(4) 0.1601(4) 0.118(4) Uani 1 1 d D U . . .
 C04X C 0.7433(8) 0.4187(5) 0.2138(4) 0.116(4) Uani 1 1 d D U . . .
 C04Y C 0.4703(8) 0.7172(5) 0.0628(4) 0.120(4) Uani 1 1 d D U . . .
 H04Y H 0.4208 0.7185 0.0700 0.144 Uiso 1 1 calc R . . . .
 O04Z O 0.7767(7) 0.3671(5) 0.0607(4) 0.171(4) Uani 1 1 d D U . . .
 C050 C 0.6131(7) 0.7159(5) 0.0403(4) 0.125(5) Uani 1 1 d D U . . .
 C051 C 0.5090(8) 0.7976(5) 0.1267(4) 0.118(4) Uani 1 1 d D U . . .
 H051 H 0.5246 0.7677 0.1131 0.141 Uiso 1 1 calc R . . . .
 C052 C 0.4112(7) 0.2968(5) 0.4091(4) 0.117(4) Uani 1 1 d D U . . .
 H052 H 0.3823 0.3070 0.4319 0.140 Uiso 1 1 calc R . . . .
 N053 N 0.6211(8) 0.4007(6) 0.0686(4) 0.176(5) Uani 1 1 d D U . . .
 C054 C 0.7409(10) 0.7193(7) 0.1528(5) 0.153(6) Uani 1 1 d D U . . .
 C055 C 0.5062(8) 0.2598(6) 0.2039(4) 0.125(4) Uani 1 1 d D U . . .
 H055 H 0.5347 0.2542 0.1803 0.149 Uiso 1 1 calc R . . . .
 C056 C 0.7219(8) 0.4005(5) 0.3018(4) 0.125(4) Uani 1 1 d D U . . .
 H056 H 0.7282 0.4338 0.2962 0.150 Uiso 1 1 calc R . . . .
 C057 C 0.5492(9) 0.8093(5) 0.1490(4) 0.123(4) Uani 1 1 d D U . . .
 F058 F 0.8340(9) 0.5200(5) 0.3647(3) 0.213(5) Uani 1 1 d D U . . .
 C059 C 0.7309(7) 0.3669(5) 0.2731(4) 0.113(4) Uani 1 1 d D U . . .
 C05A C 0.3825(7) 0.2945(6) 0.3779(4) 0.118(4) Uani 1 1 d D . . . .
 H05A H 0.3321 0.2978 0.3806 0.141 Uiso 1 1 calc R . . . .
 C05B C 0.4321(8) 0.2723(6) 0.2068(4) 0.135(5) Uani 1 1 d D U . . .
 H05B H 0.4098 0.2721 0.1855 0.163 Uiso 1 1 calc R . . . .
 C05C C 0.8203(9) 0.5034(6) 0.3330(5) 0.168(4) Uani 1 1 d D U . . .
 C05D C 0.3597(8) 0.8849(5) 0.4138(5) 0.136(5) Uani 1 1 d D U . . .
 H05D H 0.3847 0.9098 0.4155 0.164 Uiso 1 1 calc R . . . .
 C05F C 0.0177(8) 0.6959(5) 0.2958(4) 0.124(4) Uani 1 1 d D U . . .
 H05F H -0.0013 0.6686 0.2917 0.149 Uiso 1 1 calc R . . . .
 C05G C 0.8743(8) 0.4302(5) 0.1100(3) 0.130(5) Uani 1 1 d D U . . .
 C05I C 0.2524(8) 1.0288(5) 0.4509(4) 0.142(5) Uani 1 1 d D U . . .
 C05J C 0.1396(11) 1.0347(7) 0.4391(6) 0.190(8) Uani 1 1 d D U . . .
 C05K C 0.4332(8) 0.4306(6) 0.3684(4) 0.113(4) Uani 1 1 d . U . . .
 C05M C 0.5280(9) 0.9730(6) 0.1018(5) 0.158(6) Uani 1 1 d D U . . .
 H05M H 0.5293 0.9976 0.1181 0.190 Uiso 1 1 calc R . . . .
 C05N C 0.3684(7) 0.9603(5) 0.1627(4) 0.125(5) Uani 1 1 d D U . . .
 H05N H 0.4103 0.9717 0.1627 0.150 Uiso 1 1 calc R . . . .
 C05O C 0.2603(7) 0.8637(5) 0.2903(3) 0.110(4) Uani 1 1 d D U . . .
 C05P C -0.1788(11) 0.7351(6) 0.3316(4) 0.160(6) Uani 1 1 d D U . . .
 O05Q O 0.7199(9) 0.4334(6) 0.0100(4) 0.204(6) Uani 1 1 d D U . . .
 C05R C 0.6180(9) 0.7814(6) 0.1558(4) 0.136(5) Uani 1 1 d D U . . .
 C05S C 0.9171(9) 0.3696(6) 0.1629(4) 0.150(6) Uani 1 1 d D U . . .
 H05S H 0.9425 0.3609 0.1838 0.180 Uiso 1 1 calc R . . . .
 C05T C 0.1231(8) 0.3256(5) 0.2786(4) 0.138(4) Uani 1 1 d D U . . .
 C05U C 0.7538(9) 0.5083(6) -0.0039(4) 0.144(5) Uani 1 1 d D U . . .
 H05U H 0.7308 0.5150 -0.0256 0.172 Uiso 1 1 calc R . . . .
 C05V C 0.2303(6) 1.0245(5) 0.2845(4) 0.118(4) Uani 1 1 d D U . . .
 C05X C 0.4908(8) 0.7580(5) 0.0411(4) 0.117(4) Uani 1 1 d D U . . .
 H05X H 0.4543 0.7867 0.0340 0.140 Uiso 1 1 calc R . . . .
 C05Y C 0.4341(10) 0.9137(6) 0.2713(5) 0.137(5) Uani 1 1 d D U . . .
 C05Z C 0.3420(7) 1.0337(5) 0.3200(4) 0.149(6) Uani 1 1 d D U . . .
 H05Z H 0.3805 1.0369 0.3319 0.179 Uiso 1 1 calc R . . . .
 O060 O 0.3346(9) 0.4778(7) 0.1450(4) 0.220(6) Uani 1 1 d D U . . .
 C061 C 0.3607(9) 0.7967(5) 0.4102(4) 0.128(5) Uani 1 1 d D U . . .
 H061 H 0.3866 0.7621 0.4072 0.154 Uiso 1 1 calc R . . . .
 C062 C 0.2494(7) 0.8624(4) 0.4166(4) 0.116(4) Uani 1 1 d D U . . .
 C063 C 0.1035(8) 0.7478(6) 0.2747(4) 0.141(5) Uani 1 1 d D U . . .
 H063 H 0.1393 0.7572 0.2567 0.169 Uiso 1 1 calc R . . . .
 C064 C 0.4242(8) 0.4119(6) 0.2433(4) 0.127(5) Uani 1 1 d D U . . .
 H064 H 0.3752 0.4207 0.2544 0.152 Uiso 1 1 calc R . . . .
 C065 C 0.7847(9) 0.5417(6) 0.0052(4) 0.136(5) Uani 1 1 d D U . . .
 H065 H 0.7796 0.5734 -0.0087 0.163 Uiso 1 1 calc R . . . .
 C066 C 0.4275(7) 0.5546(5) 0.4428(4) 0.115(4) Uani 1 1 d D U . . .
 H066 H 0.4581 0.5769 0.4406 0.139 Uiso 1 1 calc R . . . .
 C068 C 0.1710(7) 0.6306(5) 0.3359(4) 0.109(4) Uani 1 1 d D U . . .
 H068 H 0.1445 0.6638 0.3287 0.131 Uiso 1 1 calc R . . . .
 C069 C 0.2021(8) 0.5646(6) 0.5693(4) 0.120(4) Uani 1 1 d D U . . .
 C06A C 0.0113(8) 0.9557(6) 0.3227(4) 0.137(5) Uani 1 1 d D U . . .
 H06A H -0.0261 0.9421 0.3360 0.164 Uiso 1 1 calc R . . . .
 C06B C 0.2530(6) 0.9570(4) 0.1699(4) 0.120(4) Uani 1 1 d D U . . .
 C06C C 0.6142(8) 0.3812(5) 0.1037(4) 0.144(5) Uani 1 1 d D U . . .
 C06D C 0.3256(7) 0.8805(5) 0.2866(4) 0.105(4) Uani 1 1 d D U . . .
 C06F C 0.0663(8) 0.9603(6) 0.3411(4) 0.129(5) Uani 1 1 d D U . . .
 H06F H 0.0658 0.9511 0.3668 0.155 Uiso 1 1 calc R . . . .
 C06I C -0.1937(11) 0.6964(6) 0.3559(4) 0.166(6) Uani 1 1 d D U . . .
 C06J C 0.1736(8) 0.2653(5) 0.3198(3) 0.128(5) Uani 1 1 d D U . . .
 C06K C 0.7046(9) 0.3841(6) 0.3366(5) 0.137(5) Uani 1 1 d D U . . .
 H06K H 0.6951 0.4065 0.3562 0.164 Uiso 1 1 calc R . . . .
 C06L C 0.1277(8) 1.0798(6) 0.1389(4) 0.150(6) Uani 1 1 d D U . . .
 C06M C 1.0733(11) 0.5333(6) 0.1114(4) 0.169(5) Uani 1 1 d D U . . .
 C06N C 0.2977(8) 0.9889(5) 0.1711(4) 0.129(5) Uani 1 1 d D U . . .
 H06N H 0.2826 1.0238 0.1766 0.155 Uiso 1 1 calc R . . . .
 C06P C 0.7538(9) 0.4637(6) 0.0172(4) 0.141(5) Uani 1 1 d D U . . .
 C06Q C 0.1319(8) 0.4681(7) 0.5358(4) 0.139(5) Uani 1 1 d D U . . .
 H06B H 0.1015 0.4893 0.5183 0.208 Uiso 1 1 calc GR . . . .
 H06C H 0.1013 0.4564 0.5569 0.208 Uiso 1 1 calc GR . . . .
 H06D H 0.1646 0.4387 0.5234 0.208 Uiso 1 1 calc GR . . . .
 C06R C 0.7300(8) 0.2947(5) 0.2501(4) 0.120(4) Uani 1 1 d D U . . .
 H06R H 0.7278 0.2607 0.2487 0.144 Uiso 1 1 calc R . . . .
 C06S C 0.2812(9) 1.0498(6) 0.2668(4) 0.153(6) Uani 1 1 d D U . . .
 H06S H 0.2786 1.0640 0.2421 0.183 Uiso 1 1 calc R . . . .
 C06T C 0.8516(10) 0.3451(6) 0.1195(5) 0.160(6) Uani 1 1 d D U . . .
 H06T H 0.8326 0.3199 0.1117 0.192 Uiso 1 1 calc R . . . .
 C06U C 0.0703(8) 1.0586(6) 0.1397(3) 0.165(6) Uani 1 1 d D U . . .
 C06V C 0.7955(8) 0.4500(5) 0.0477(4) 0.133(5) Uani 1 1 d D U . . .
 C06W C 0.4451(7) 0.4038(5) 0.2052(4) 0.112(4) Uani 1 1 d D U . . .
 H06W H 0.4120 0.4080 0.1879 0.135 Uiso 1 1 calc R . . . .
 C06X C 0.6903(8) 0.7001(7) 0.0351(5) 0.141(5) Uani 1 1 d D U . . .
 H06X H 0.7203 0.7202 0.0221 0.170 Uiso 1 1 calc R . . . .
 C06Y C 0.8285(9) 0.6690(6) 0.1089(4) 0.140(5) Uani 1 1 d D U . . .
 H06Y H 0.8182 0.6907 0.0875 0.168 Uiso 1 1 calc R . . . .
 C070 C 0.7129(8) 0.6576(6) 0.0493(4) 0.131(5) Uani 1 1 d D U . . .
 H070 H 0.7624 0.6398 0.0478 0.157 Uiso 1 1 calc R . . . .
 C071 C 0.1560(8) 0.9952(6) 0.4663(5) 0.143(5) Uani 1 1 d D U . . .
 C072 C 0.1151(7) 1.1114(5) 0.1672(4) 0.139(5) Uani 1 1 d D U . . .
 C073 C 0.5143(8) 0.4683(6) 0.0824(5) 0.154(5) Uani 1 1 d D U . . .
 H073 H 0.4797 0.4976 0.0744 0.185 Uiso 1 1 calc R . . . .
 C074 C 0.7074(8) 0.8869(8) 0.2349(6) 0.196(8) Uani 1 1 d D U . . .
 H074 H 0.7585 0.8776 0.2299 0.235 Uiso 1 1 calc R . . . .
 C075 C 1.0837(12) 0.4495(6) 0.1169(5) 0.202(6) Uani 1 1 d D U . . .
 C076 C 0.8984(8) 0.5478(5) 0.1974(4) 0.129(5) Uani 1 1 d D U . . .
 H076 H 0.9211 0.5156 0.2081 0.155 Uiso 1 1 calc R . . . .
 C077 C 0.0170(6) 1.0813(6) 0.1683(4) 0.168(6) Uani 1 1 d D U . . .
 C078 C 0.3360(7) 1.0541(5) 0.2859(4) 0.131(5) Uani 1 1 d D U . . .
 H078 H 0.3698 1.0720 0.2741 0.157 Uiso 1 1 calc R . . . .
 C07A C 0.6729(9) 0.8267(7) -0.0470(8) 0.210(8) Uani 1 1 d D U . . .
 C07B C 0.8769(10) 0.6025(6) 0.1448(4) 0.153(6) Uani 1 1 d D U . . .
 C07C C 0.1976(10) 0.6151(6) 0.5845(5) 0.150(6) Uani 1 1 d D U . . .
 H07A H 0.2464 0.6188 0.5843 0.224 Uiso 1 1 calc GR . . . .
 H07B H 0.1726 0.6163 0.6101 0.224 Uiso 1 1 calc GR . . . .
 H07C H 0.1710 0.6429 0.5691 0.224 Uiso 1 1 calc GR . . . .
 C07D C 0.1299(7) 0.3147(5) 0.3160(4) 0.125(4) Uani 1 1 d D U . . .
 C07E C 0.6514(9) 0.8538(6) 0.0624(5) 0.146(5) Uani 1 1 d D U . . .
 C07F C 0.4872(8) 0.2829(6) 0.4048(4) 0.137(5) Uani 1 1 d D U . . .
 H07F H 0.5111 0.2782 0.4262 0.164 Uiso 1 1 calc R . . . .
 C07H C 0.2998(9) 0.6936(5) 0.4166(4) 0.126(5) Uani 1 1 d D U . . .
 H07H H 0.3344 0.6950 0.4319 0.151 Uiso 1 1 calc R . . . .
 C07I C 0.6700(9) 0.3475(7) -0.0224(4) 0.199(9) Uani 1 1 d D U . . .
 C07J C 0.7094(9) 0.8842(7) 0.1074(6) 0.174(5) Uani 1 1 d D U . . .
 C07K C 0.5543(9) 0.8681(6) -0.0479(6) 0.180(7) Uani 1 1 d D U . . .
 C07M C 0.1992(12) 0.2379(8) 0.3549(5) 0.178(7) Uani 1 1 d D U . . .
 H07D H 0.2498 0.2188 0.3495 0.267 Uiso 1 1 calc GR . . . .
 H07E H 0.1698 0.2143 0.3646 0.267 Uiso 1 1 calc GR . . . .
 H07G H 0.1946 0.2627 0.3734 0.267 Uiso 1 1 calc GR . . . .
 C07O C 0.5280(8) 0.3999(6) 0.3245(4) 0.133(5) Uani 1 1 d D U . . .
 H07O H 0.5768 0.3840 0.3158 0.159 Uiso 1 1 calc R . . . .
 C07R C 0.1960(9) 1.0573(7) 0.4313(5) 0.165(6) Uani 1 1 d D U . . .
 C07S C 0.0213(8) 0.7609(5) 0.3334(4) 0.121(4) Uani 1 1 d D U . . .
 C07T C 0.6593(10) 0.7911(7) 0.1801(5) 0.159(5) Uani 1 1 d D U . . .
 H07T H 0.6450 0.8199 0.1948 0.191 Uiso 1 1 calc R . . . .
 C07V C 0.3674(8) 0.8720(6) 0.3157(4) 0.139(5) Uani 1 1 d D U . . .
 H07V H 0.3572 0.8534 0.3383 0.167 Uiso 1 1 calc R . . . .
 C07W C 0.2664(8) 0.8703(5) 0.1569(4) 0.127(5) Uani 1 1 d D U . . .
 H07W H 0.2957 0.8377 0.1500 0.152 Uiso 1 1 calc R . . . .
 C07X C 0.5862(7) 0.9316(5) 0.0945(4) 0.130(5) Uani 1 1 d D U . . .
 C081 C 0.3408(7) 0.5314(7) 0.5677(4) 0.137(5) Uani 1 1 d D U . . .
 H08A H 0.3784 0.5151 0.5482 0.206 Uiso 1 1 calc GR . . . .
 H08B H 0.3521 0.5154 0.5920 0.206 Uiso 1 1 calc GR . . . .
 H08C H 0.3386 0.5677 0.5671 0.206 Uiso 1 1 calc GR . . . .
 C082 C 0.5931(8) 0.9428(6) 0.2225(5) 0.171(6) Uani 1 1 d D U . . .
 C084 C 0.0789(10) 0.3737(6) 0.2622(6) 0.152(5) Uani 1 1 d D U . . .
 H08D H 0.1109 0.3937 0.2488 0.228 Uiso 1 1 calc GR . . . .
 H08E H 0.0466 0.3935 0.2820 0.228 Uiso 1 1 calc GR . . . .
 H08F H 0.0504 0.3655 0.2450 0.228 Uiso 1 1 calc GR . . . .
 N085 N 0.6674(9) 0.9275(6) 0.2139(4) 0.190(6) Uani 1 1 d D U . . .
 O086 O 0.9069(10) 0.4161(6) 0.3370(4) 0.246(7) Uani 1 1 d D U . . .
 C087 C 0.0920(9) 0.3507(7) 0.3458(5) 0.152(5) Uani 1 1 d D U . . .
 H08G H 0.1194 0.3437 0.3668 0.228 Uiso 1 1 calc GR . . . .
 H08H H 0.0435 0.3461 0.3540 0.228 Uiso 1 1 calc GR . . . .
 H08I H 0.0882 0.3858 0.3359 0.228 Uiso 1 1 calc GR . . . .
 C088 C 1.0619(8) 0.5187(6) 0.0778(4) 0.172(5) Uani 1 1 d D U . . .
 C089 C 0.3978(7) 0.8345(6) 0.4105(5) 0.155(6) Uani 1 1 d D U . . .
 H089 H 0.4489 0.8253 0.4085 0.186 Uiso 1 1 calc R . . . .
 C08B C 0.9112(9) 0.4183(6) 0.1434(4) 0.141(5) Uani 1 1 d D U . . .
 C08C C 0.7557(8) 0.4995(5) 0.1920(4) 0.123(4) Uani 1 1 d D U . . .
 H08J H 0.7717 0.5294 0.1917 0.148 Uiso 1 1 calc R . . . .
 C08F C 0.4607(9) 0.9411(6) 0.0635(5) 0.147(6) Uani 1 1 d D U . . .
 H08K H 0.4177 0.9444 0.0531 0.177 Uiso 1 1 calc R . . . .
 C08I C 0.6906(15) 0.1633(11) 0.4146(6) 0.246(10) Uani 1 1 d D U . . .
 H08L H 0.6503 0.1475 0.4171 0.369 Uiso 1 1 calc R . . . .
 H08M H 0.7294 0.1411 0.4273 0.369 Uiso 1 1 calc R . . . .
 H08N H 0.6742 0.1963 0.4258 0.369 Uiso 1 1 calc R . . . .
 C08J C 0.1591(8) 0.8586(6) 0.2666(4) 0.131(5) Uani 1 1 d D U . . .
 H08O H 0.1250 0.8632 0.2498 0.157 Uiso 1 1 calc R . . . .
 C08K C 0.2433(12) 0.1937(7) 0.2760(5) 0.173(7) Uani 1 1 d D U . . .
 H08P H 0.2690 0.1935 0.2507 0.260 Uiso 1 1 calc GR . . . .
 H08Q H 0.2130 0.1698 0.2788 0.260 Uiso 1 1 calc GR . . . .
 H08R H 0.2782 0.1834 0.2937 0.260 Uiso 1 1 calc GR . . . .
 C08L C 1.0679(12) 0.4675(6) 0.0804(5) 0.184(6) Uani 1 1 d D U . . .
 C08R C 0.5048(8) 0.4474(6) 0.1191(4) 0.144(5) Uani 1 1 d D U . . .
 H08S H 0.4640 0.4625 0.1361 0.173 Uiso 1 1 calc R . . . .
 C08S C 0.2015(12) 1.0995(7) 0.4030(6) 0.193(8) Uani 1 1 d D U . . .
 H08T H 0.2485 1.0906 0.3874 0.289 Uiso 1 1 calc GR . . . .
 H08U H 0.1966 1.1307 0.4154 0.289 Uiso 1 1 calc GR . . . .
 H08V H 0.1631 1.1050 0.3875 0.289 Uiso 1 1 calc GR . . . .
 C08U C 0.5743(11) 0.4460(7) 0.0578(4) 0.176(7) Uani 1 1 d D U . . .
 H08W H 0.5833 0.4616 0.0338 0.212 Uiso 1 1 calc R . . . .
 C08W C 0.2245(8) 0.8732(6) 0.2592(4) 0.146(6) Uani 1 1 d D U . . .
 H08X H 0.2419 0.8876 0.2361 0.175 Uiso 1 1 calc R . . . .
 C08X C 0.5589(8) 0.9142(6) 0.2490(5) 0.172(6) Uani 1 1 d D U . . .
 C092 C 0.7712(12) 0.8807(9) 0.1249(6) 0.200(5) Uani 1 1 d D U . . .
 C093 C 0.7060(10) 0.2869(5) 0.0225(5) 0.206(8) Uani 1 1 d D U . . .
 C094 C 0.7960(9) 1.0128(7) 0.1478(5) 0.246(8) Uani 1 1 d D U . . .
 C096 C 0.7927(14) 1.0079(10) 0.2190(6) 0.278(12) Uani 1 1 d D U . . .
 H09A H 0.7566 1.0222 0.2398 0.418 Uiso 1 1 calc R . . . .
 H09B H 0.8053 0.9706 0.2221 0.418 Uiso 1 1 calc R . . . .
 H09C H 0.8360 1.0199 0.2187 0.418 Uiso 1 1 calc R . . . .
 C097 C 0.5422(9) 0.9809(6) 0.2071(5) 0.146(5) Uani 1 1 d D U . . .
 H097 H 0.5518 1.0049 0.1877 0.176 Uiso 1 1 calc R . . . .
 C09H C 0.0464(7) 1.1138(5) 0.1858(4) 0.166(7) Uani 1 1 d D U . . .
 C09J C 1.0694(14) 0.5878(8) 0.1200(6) 0.215(9) Uani 1 1 d D U . . .
 H09D H 1.0332 0.6118 0.1067 0.323 Uiso 1 1 calc GR . . . .
 H09E H 1.1165 0.5947 0.1121 0.323 Uiso 1 1 calc GR . . . .
 H09F H 1.0559 0.5917 0.1468 0.323 Uiso 1 1 calc GR . . . .
 C09M C 0.1049(10) 0.9659(7) 0.4846(5) 0.186(8) Uani 1 1 d D U . . .
 H09G H 0.0738 0.9624 0.4669 0.279 Uiso 1 1 calc GR . . . .
 H09H H 0.0753 0.9837 0.5060 0.279 Uiso 1 1 calc GR . . . .
 H09I H 0.1320 0.9320 0.4930 0.279 Uiso 1 1 calc GR . . . .
 F09N F 0.7592(8) 0.4833(7) 0.3453(5) 0.257(6) Uani 1 1 d D U . . .
 C09U C 0.7757(10) 0.1920(8) 0.3575(4) 0.173(6) Uani 1 1 d D U . . .
 C09W C 0.3279(10) 1.0359(7) 0.4474(6) 0.188(7) Uani 1 1 d D U . . .
 H09J H 0.3591 1.0062 0.4592 0.282 Uiso 1 1 calc GR . . . .
 H09K H 0.3263 1.0666 0.4597 0.282 Uiso 1 1 calc GR . . . .
 H09L H 0.3470 1.0395 0.4211 0.282 Uiso 1 1 calc GR . . . .
 C09Z C -0.1721(15) 0.7372(9) 0.2892(5) 0.219(9) Uani 1 1 d D U . . .
 H09M H -0.1382 0.7572 0.2785 0.329 Uiso 1 1 calc GR . . . .
 H09N H -0.2195 0.7531 0.2814 0.329 Uiso 1 1 calc GR . . . .
 H09O H -0.1544 0.7026 0.2806 0.329 Uiso 1 1 calc GR . . . .
 C0A0 C 0.6457(8) 0.3176(7) 0.0102(5) 0.220(8) Uani 1 1 d D U . . .
 C0A8 C 0.2694(12) 0.9484(8) 0.4980(6) 0.203(9) Uani 1 1 d D U . . .
 H0AA H 0.2563 0.9164 0.4971 0.305 Uiso 1 1 calc GR . . . .
 H0AB H 0.2585 0.9592 0.5236 0.305 Uiso 1 1 calc GR . . . .
 H0AC H 0.3211 0.9435 0.4894 0.305 Uiso 1 1 calc GR . . . .
 C0AB C 0.7894(10) 0.1851(8) 0.3204(4) 0.186(6) Uani 1 1 d D U . . .
 C0AD C 0.1897(11) 1.0702(8) 0.1094(6) 0.194(8) Uani 1 1 d D U . . .
 H0AD H 0.2325 1.0731 0.1191 0.291 Uiso 1 1 calc GR . . . .
 H0AE H 0.1797 1.0952 0.0886 0.291 Uiso 1 1 calc GR . . . .
 H0AF H 0.1981 1.0359 0.1010 0.291 Uiso 1 1 calc GR . . . .
 C0AH C 0.1708(13) 0.2811(8) 0.2161(5) 0.201(9) Uani 1 1 d D U . . .
 H0AG H 0.1353 0.3100 0.2061 0.301 Uiso 1 1 calc GR . . . .
 H0AH H 0.1624 0.2492 0.2102 0.301 Uiso 1 1 calc GR . . . .
 H0AI H 0.2195 0.2828 0.2049 0.301 Uiso 1 1 calc GR . . . .
 C0AI C 0.7538(11) 0.8163(8) -0.0447(8) 0.218(9) Uani 1 1 d D U . . .
 H0AJ H 0.7644 0.8477 -0.0392 0.327 Uiso 1 1 calc GR . . . .
 H0AK H 0.7817 0.8045 -0.0684 0.327 Uiso 1 1 calc GR . . . .
 H0AL H 0.7670 0.7902 -0.0249 0.327 Uiso 1 1 calc GR . . . .
 C0AJ C 0.6177(12) 0.3898(9) -0.0428(6) 0.209(9) Uani 1 1 d D U . . .
 H0AM H 0.5711 0.3997 -0.0270 0.314 Uiso 1 1 calc GR . . . .
 H0AN H 0.6110 0.3773 -0.0659 0.314 Uiso 1 1 calc GR . . . .
 H0AO H 0.6377 0.4194 -0.0486 0.314 Uiso 1 1 calc GR . . . .
 C0AO C 0.7087(15) 0.2416(10) 0.0508(8) 0.273(12) Uani 1 1 d D U . . .
 H0AP H 0.7588 0.2260 0.0548 0.410 Uiso 1 1 calc R . . . .
 H0AQ H 0.6799 0.2534 0.0744 0.410 Uiso 1 1 calc R . . . .
 H0AR H 0.6891 0.2165 0.0415 0.410 Uiso 1 1 calc R . . . .
 C0AT C 0.0700(11) 1.0518(9) 0.4241(7) 0.198(9) Uani 1 1 d D U . . .
 H0AS H 0.0658 1.0856 0.4115 0.297 Uiso 1 1 calc GR . . . .
 H0AT H 0.0303 1.0535 0.4445 0.297 Uiso 1 1 calc GR . . . .
 H0AU H 0.0680 1.0276 0.4064 0.297 Uiso 1 1 calc GR . . . .
 C0B2 C 0.7416(15) 0.1453(11) 0.2729(6) 0.241(10) Uani 1 1 d D U . . .
 H0BA H 0.7111 0.1217 0.2740 0.362 Uiso 1 1 calc GR . . . .
 H0BB H 0.7908 0.1287 0.2620 0.362 Uiso 1 1 calc GR . . . .
 H0BC H 0.7224 0.1759 0.2576 0.362 Uiso 1 1 calc GR . . . .
 C0B3 C 0.7442(9) 0.3318(7) -0.0265(4) 0.210(8) Uani 1 1 d D U . . .
 C2BA C 0.4794(6) 0.4061(4) 0.2626(3) 0.092(3) Uani 1 1 d D U . . .
 C22 C 0.2295(7) 0.4926(4) 0.2608(3) 0.100(4) Uani 1 1 d D . . . .
 H22 H 0.2247 0.5281 0.2563 0.120 Uiso 1 1 calc R . . . .
 C25 C 0.8155(8) 0.6285(6) 0.2052(5) 0.137(5) Uani 1 1 d D U . . .
 H25 H 0.7821 0.6525 0.2209 0.164 Uiso 1 1 calc R . . . .
 C31 C 0.2916(7) 0.4607(5) 0.4455(4) 0.109(4) Uani 1 1 d D U . . .
 H31 H 0.2466 0.4590 0.4594 0.131 Uiso 1 1 calc R . . . .
 C32 C 0.8060(8) 0.4031(5) 0.0683(4) 0.128(5) Uani 1 1 d D U . . .
 C33 C 0.8691(8) 0.4767(5) 0.0878(4) 0.116(4) Uani 1 1 d D U . . .
 C37 C 0.8861(9) 0.3359(6) 0.1512(4) 0.146(6) Uani 1 1 d D U . . .
 H37 H 0.8880 0.3046 0.1653 0.175 Uiso 1 1 calc R . . . .
 C45 C 0.8455(8) 0.3926(5) 0.0991(4) 0.136(5) Uani 1 1 d D U . . .
 C54 C 0.8263(8) 0.6394(5) 0.1672(4) 0.134(5) Uani 1 1 d D U . . .
 O65 O 0.6458(7) 0.9600(5) 0.1348(4) 0.194(4) Uani 1 1 d D U . . .
 C71 C 0.8516(9) 0.5845(6) 0.2198(3) 0.134(5) Uani 1 1 d D U . . .
 H71 H 0.8455 0.5780 0.2460 0.160 Uiso 1 1 calc R . . . .
 C73 C 0.7111(8) 0.8501(6) 0.0799(5) 0.165(5) Uani 1 1 d D U . . .
 O76 O 0.5116(7) 0.8625(4) 0.0376(4) 0.167(4) Uani 1 1 d D U . . .
 C77 C 1.0926(11) 0.4894(6) 0.1343(4) 0.173(5) Uani 1 1 d D U . . .
 C83 C 0.1788(7) 0.9826(5) 0.3403(4) 0.133(5) Uani 1 1 d D U . . .
 C86 C 0.5049(13) 0.7958(9) -0.0610(8) 0.233(11) Uani 1 1 d D U . . .
 H86A H 0.4594 0.8223 -0.0573 0.349 Uiso 1 1 calc R . . . .
 H86B H 0.5151 0.7866 -0.0870 0.349 Uiso 1 1 calc R . . . .
 H86C H 0.5009 0.7657 -0.0447 0.349 Uiso 1 1 calc R . . . .
 C87 C 0.6739(11) 0.8609(7) 0.2622(6) 0.205(8) Uani 1 1 d D U . . .
 H87 H 0.7014 0.8349 0.2772 0.247 Uiso 1 1 calc R . . . .
 C88 C 0.8326(11) 0.8400(9) 0.1163(7) 0.210(7) Uani 1 1 d D U . . .
 H88 H 0.8754 0.8377 0.1265 0.252 Uiso 1 1 calc R . . . .
 C94 C 0.5552(7) 0.4052(5) 0.1298(3) 0.122(4) Uani 1 1 d D U . . .
 C3AA C 0.4264(9) 0.8940(7) 0.3078(5) 0.150(6) Uani 1 1 d D U . . .
 H3AA H 0.4571 0.8951 0.3253 0.180 Uiso 1 1 calc R . . . .
 C67 C 0.1634(11) 1.1428(8) 0.1746(6) 0.203(9) Uani 1 1 d D U . . .
 H67A H 0.1586 1.1465 0.2013 0.304 Uiso 1 1 calc GR . . . .
 H67B H 0.1496 1.1765 0.1618 0.304 Uiso 1 1 calc GR . . . .
 H67C H 0.2136 1.1260 0.1653 0.304 Uiso 1 1 calc GR . . . .
 C0AA C 0.7251(11) 0.7537(8) 0.1809(6) 0.180(6) Uani 1 1 d D U . . .
 H0AV H 0.7561 0.7519 0.1988 0.216 Uiso 1 1 calc R . . . .
 C90 C 0.8734(12) 0.9831(11) 0.1365(8) 0.283(12) Uani 1 1 d D U . . .
 H90A H 0.8959 0.9694 0.1588 0.425 Uiso 1 1 calc R . . . .
 H90B H 0.8740 0.9550 0.1215 0.425 Uiso 1 1 calc R . . . .
 H90C H 0.9002 1.0057 0.1219 0.425 Uiso 1 1 calc R . . . .
 C2AA C 0.4742(8) 0.9782(6) 0.2247(4) 0.128(5) Uani 1 1 d D U . . .
 H2AA H 0.4286 1.0001 0.2207 0.154 Uiso 1 1 calc R . . . .
 C6BA C 0.5988(11) 0.8728(7) 0.2682(5) 0.187(7) Uani 1 1 d D U . . .
 H6BA H 0.5749 0.8525 0.2855 0.225 Uiso 1 1 calc R . . . .
 C4AA C 0.6354(9) 0.7919(6) -0.0531(7) 0.207(8) Uani 1 1 d D U . . .
 C61 C 0.8149(14) 0.2178(11) 0.3786(7) 0.264(13) Uani 1 1 d D U . . .
 H61A H 0.7944 0.2178 0.4048 0.396 Uiso 1 1 calc R . . . .
 H61B H 0.8661 0.1996 0.3760 0.396 Uiso 1 1 calc R . . . .
 H61C H 0.8098 0.2530 0.3685 0.396 Uiso 1 1 calc R . . . .
 C5AA C -0.2179(13) 0.6807(8) 0.4272(5) 0.214(10) Uani 1 1 d D U . . .
 H5AA H -0.2262 0.6490 0.4206 0.321 Uiso 1 1 calc GR . . . .
 H5AB H -0.2615 0.7002 0.4420 0.321 Uiso 1 1 calc GR . . . .
 H5AC H -0.1776 0.6726 0.4417 0.321 Uiso 1 1 calc GR . . . .
 C7AA C 0.2267(8) 0.9889(6) 0.4732(5) 0.156(6) Uani 1 1 d D U . . .
 C51 C 0.0647(12) 1.0224(8) 0.1124(6) 0.200(8) Uani 1 1 d D U . . .
 H51A H 0.1113 1.0111 0.0968 0.300 Uiso 1 1 calc GR . . . .
 H51B H 0.0279 1.0397 0.0967 0.300 Uiso 1 1 calc GR . . . .
 H51C H 0.0513 0.9929 0.1259 0.300 Uiso 1 1 calc GR . . . .
 C93 C -0.0547(11) 1.0696(9) 0.1812(7) 0.206(8) Uani 1 1 d D U . . .
 H93A H -0.0472 1.0329 0.1868 0.309 Uiso 1 1 calc GR . . . .
 H93B H -0.0856 1.0806 0.1616 0.309 Uiso 1 1 calc GR . . . .
 H93C H -0.0779 1.0877 0.2036 0.309 Uiso 1 1 calc GR . . . .
 C9AA C 0.6451(10) 0.9233(7) 0.1156(5) 0.170(4) Uani 1 1 d D U . . .
 Rh0A Rh 0.7286(2) 0.96069(17) 0.17634(11) 0.1558(11) Uani 0.5 1 d D U P . .
 C0BA C 1.0951(13) 0.3943(7) 0.1300(6) 0.203(8) Uani 1 1 d D U . . .
 H0BD H 1.0652 0.3915 0.1540 0.304 Uiso 1 1 calc GR . . . .
 H0BE H 1.1460 0.3795 0.1328 0.304 Uiso 1 1 calc GR . . . .
 H0BF H 1.0816 0.3758 0.1118 0.304 Uiso 1 1 calc GR . . . .
 C164 C 1.1171(18) 0.4870(10) 0.1726(7) 0.272(12) Uani 1 1 d D U . . .
 H16A H 1.1187 0.5210 0.1781 0.407 Uiso 1 1 calc R . . . .
 H16B H 1.0829 0.4749 0.1916 0.407 Uiso 1 1 calc R . . . .
 H16C H 1.1651 0.4635 0.1725 0.407 Uiso 1 1 calc R . . . .
 C218 C 1.0446(12) 0.5542(8) 0.0442(5) 0.225(10) Uani 1 1 d D U . . .
 H21A H 1.0015 0.5496 0.0358 0.337 Uiso 1 1 calc GR . . . .
 H21B H 1.0854 0.5465 0.0242 0.337 Uiso 1 1 calc GR . . . .
 H21C H 1.0358 0.5895 0.0507 0.337 Uiso 1 1 calc GR . . . .
 C1BA C 0.7422(10) 0.1598(8) 0.3114(4) 0.205(7) Uani 1 1 d D U . . .
 C128 C 0.6321(15) 0.1295(12) 0.3466(7) 0.260(10) Uani 1 1 d D U . . .
 H12A H 0.5912 0.1502 0.3624 0.390 Uiso 1 1 calc GR . . . .
 H12B H 0.6453 0.0948 0.3579 0.390 Uiso 1 1 calc GR . . . .
 H12C H 0.6186 0.1286 0.3220 0.390 Uiso 1 1 calc GR . . . .
 C150 C 0.5679(12) 0.3322(11) 0.0292(7) 0.249(10) Uani 1 1 d D U . . .
 H15A H 0.5648 0.3148 0.0539 0.373 Uiso 1 1 calc GR . . . .
 H15B H 0.5369 0.3220 0.0144 0.373 Uiso 1 1 calc GR . . . .
 H15C H 0.5521 0.3691 0.0316 0.373 Uiso 1 1 calc GR . . . .
 C0CA C 0.4683(10) 0.9779(6) 0.0849(5) 0.149(6) Uani 1 1 d D U . . .
 H0CA H 0.4301 1.0080 0.0881 0.178 Uiso 1 1 calc DR . . . .
 C3BA C 0.6896(9) 1.0461(6) 0.1813(5) 0.226(6) Uani 1 1 d D U . . .
 C105 C 0.6720(12) 0.7380(8) -0.0611(8) 0.226(10) Uani 1 1 d D U . . .
 H10A H 0.7182 0.7279 -0.0514 0.339 Uiso 1 1 calc GR . . . .
 H10B H 0.6803 0.7345 -0.0880 0.339 Uiso 1 1 calc GR . . . .
 H10C H 0.6414 0.7161 -0.0492 0.339 Uiso 1 1 calc GR . . . .
 C106 C -0.1713(12) 0.8283(6) 0.3366(5) 0.181(7) Uani 1 1 d D U . . .
 H10D H -0.1456 0.8414 0.3529 0.271 Uiso 1 1 calc GR . . . .
 H10E H -0.2196 0.8512 0.3360 0.271 Uiso 1 1 calc GR . . . .
 H10F H -0.1446 0.8263 0.3115 0.271 Uiso 1 1 calc GR . . . .
 C142 C -0.1864(13) 0.7933(9) 0.4199(6) 0.198(8) Uani 1 1 d D U . . .
 H14A H -0.1699 0.7717 0.4415 0.297 Uiso 1 1 calc GR . . . .
 H14B H -0.2346 0.8153 0.4271 0.297 Uiso 1 1 calc GR . . . .
 H14C H -0.1529 0.8142 0.4108 0.297 Uiso 1 1 calc GR . . . .
 C230 C 0.6370(11) 1.0719(8) 0.2132(6) 0.224(9) Uani 1 1 d D U . . .
 H23A H 0.5881 1.0710 0.2104 0.337 Uiso 1 1 calc GR . . . .
 H23B H 0.6390 1.1074 0.2130 0.337 Uiso 1 1 calc GR . . . .
 H23C H 0.6499 1.0541 0.2367 0.337 Uiso 1 1 calc GR . . . .
 C247 C 0.7630(9) 1.0244(6) 0.1837(5) 0.225(6) Uani 1 1 d D U . . .
 C127 C 0.7739(9) 0.8104(7) 0.0716(6) 0.180(6) Uani 1 1 d D U . . .
 H127 H 0.7775 0.7891 0.0519 0.217 Uiso 1 1 calc R . . . .
 C1AA C 0.7681(8) 0.2962(6) 0.0005(5) 0.204(7) Uani 1 1 d D U . . .
 C125 C 0.5646(9) 0.8152(6) -0.0520(6) 0.164(7) Uani 1 1 d D U . . .
 C143 C 0.6953(12) 0.1523(8) 0.3429(5) 0.232(8) Uani 1 1 d D U . . .
 F8AA F 0.4236(10) 1.1587(6) 0.1960(5) 0.263(7) Uani 1 1 d D U . . .
 F15 F 0.4163(9) 1.1885(5) 0.1399(4) 0.228(6) Uani 1 1 d D U . . .
 F30 F 0.3203(10) 1.1867(7) 0.1774(5) 0.300(9) Uani 1 1 d D U . . .
 O45 O 0.4637(9) 1.0841(8) 0.1363(6) 0.284(10) Uani 1 1 d D U . . .
 C4BA C 0.3877(11) 1.1619(7) 0.1680(5) 0.189(9) Uani 1 1 d D U . . .
 C8AA C 0.6203(9) 0.8750(5) -0.0437(5) 0.165(7) Uani 1 1 d D U . . .
 C96 C 0.4797(11) 0.9068(8) -0.0444(8) 0.231(11) Uani 1 1 d D U . . .
 H96A H 0.4539 0.9032 -0.0645 0.347 Uiso 1 1 calc GR . . . .
 H96B H 0.4859 0.9414 -0.0460 0.347 Uiso 1 1 calc GR . . . .
 H96C H 0.4518 0.9005 -0.0204 0.347 Uiso 1 1 calc GR . . . .
 C5BA C -0.1988(15) 0.6464(8) 0.3431(8) 0.218(9) Uani 1 1 d D U . . .
 H5BA H -0.2181 0.6525 0.3195 0.327 Uiso 1 1 calc GR . . . .
 H5BB H -0.2307 0.6317 0.3618 0.327 Uiso 1 1 calc GR . . . .
 H5BC H -0.1507 0.6227 0.3399 0.327 Uiso 1 1 calc GR . . . .
 O55 O 0.7716(8) 0.9070(6) 0.1544(5) 0.213(5) Uani 1 1 d D U . . .
 C7 C 0.3104(12) 0.4034(6) 0.1156(6) 0.277(7) Uani 1 1 d D U . . .
 F25 F 0.2632(12) 0.3954(8) 0.1453(6) 0.369(10) Uani 1 1 d D U . . .
 S0AA S 0.3069(4) 0.4708(3) 0.11075(19) 0.206(2) Uani 1 1 d D U . . .
 O9 O 0.3516(10) 0.4718(9) 0.0766(4) 0.250(7) Uani 1 1 d D U . . .
 C130 C 0.7632(16) 1.0373(11) 0.0811(7) 0.324(14) Uani 1 1 d D U . . .
 H13A H 0.7798 1.0674 0.0712 0.486 Uiso 1 1 calc GR . . . .
 H13B H 0.7188 1.0380 0.0714 0.486 Uiso 1 1 calc GR . . . .
 H13C H 0.8005 1.0065 0.0737 0.486 Uiso 1 1 calc GR . . . .
 F56 F 0.2865(12) 0.3931(8) 0.0857(6) 0.344(9) Uani 1 1 d D U . . .
 C141 C 1.0646(19) 0.4337(9) 0.0507(7) 0.258(12) Uani 1 1 d D U . . .
 H14D H 1.0757 0.3982 0.0603 0.386 Uiso 1 1 calc GR . . . .
 H14E H 1.0999 0.4376 0.0290 0.386 Uiso 1 1 calc GR . . . .
 H14F H 1.0161 0.4434 0.0434 0.386 Uiso 1 1 calc GR . . . .
 F92 F 0.8005(11) 0.5425(7) 0.3082(4) 0.299(8) Uani 1 1 d D U . . .
 O136 O 0.3704(11) 1.0744(8) 0.1861(5) 0.261(8) Uani 1 1 d D U . . .
 O18 O 0.3393(10) 1.1110(9) 0.1264(6) 0.285(11) Uani 1 1 d D U . . .
 S48 S 0.3918(5) 1.1011(2) 0.1525(2) 0.204(3) Uani 1 1 d D U . . .
 C103 C 0.0098(11) 1.1448(7) 0.2195(6) 0.208(9) Uani 1 1 d D U . . .
 H10G H -0.0144 1.1241 0.2378 0.313 Uiso 1 1 calc GR . . . .
 H10H H -0.0258 1.1752 0.2117 0.313 Uiso 1 1 calc GR . . . .
 H10I H 0.0461 1.1549 0.2307 0.313 Uiso 1 1 calc GR . . . .
 C7BA C 0.6449(12) 0.9183(6) -0.0337(6) 0.184(8) Uani 1 1 d D U . . .
 H7BA H 0.6793 0.9061 -0.0159 0.276 Uiso 1 1 calc GR . . . .
 H7BB H 0.6033 0.9441 -0.0226 0.276 Uiso 1 1 calc DGR . . . .
 H7BC H 0.6682 0.9332 -0.0561 0.276 Uiso 1 1 calc GR . . . .
 O31 O 0.8860(10) 0.4498(7) 0.2810(4) 0.253(7) Uani 1 1 d D U . . .
 O96 O 0.9611(9) 0.4754(8) 0.3108(5) 0.257(7) Uani 1 1 d D U . . .
 C6AA C 0.8474(9) 0.1993(9) 0.2944(6) 0.226(9) Uani 1 1 d D U . . .
 H6AA H 0.8410 0.1951 0.2689 0.339 Uiso 1 1 calc GR . . . .
 H6AB H 0.8941 0.1775 0.2997 0.339 Uiso 1 1 calc GR . . . .
 H6AC H 0.8457 0.2349 0.2971 0.339 Uiso 1 1 calc GR . . . .
 C70 C 0.7934(12) 0.3537(10) -0.0573(5) 0.244(11) Uani 1 1 d D U . . .
 H70A H 0.7636 0.3786 -0.0734 0.366 Uiso 1 1 calc R . . . .
 H70B H 0.8228 0.3704 -0.0460 0.366 Uiso 1 1 calc R . . . .
 H70C H 0.8249 0.3261 -0.0721 0.366 Uiso 1 1 calc R . . . .
 Rh6 Rh 0.70433(16) 0.98949(12) 0.15174(13) 0.1420(10) Uani 0.5 1 d . U P . .
 C1CA C 0.8308(12) 0.8023(9) 0.0924(6) 0.203(8) Uani 1 1 d D U . . .
 H1CA H 0.8683 0.7717 0.0906 0.244 Uiso 1 1 calc R . . . .
 C8BA C 0.6833(11) 1.0617(8) 0.1436(5) 0.246(8) Uani 1 1 d D U . . .
 C180 C 0.7489(10) 1.0373(7) 0.1230(5) 0.269(8) Uani 1 1 d D U . . .
 C115 C 0.6181(15) 1.0951(13) 0.1282(8) 0.324(15) Uani 1 1 d D U . . .
 H11A H 0.5798 1.1072 0.1486 0.486 Uiso 1 1 calc R . . . .
 H11B H 0.6309 1.1244 0.1138 0.486 Uiso 1 1 calc R . . . .
 H11C H 0.6011 1.0756 0.1120 0.486 Uiso 1 1 calc R . . . .
 C97 C 0.8445(11) 0.2700(10) 0.0076(8) 0.306(14) Uani 1 1 d D U . . .
 H97A H 0.8730 0.2951 0.0047 0.458 Uiso 1 1 calc GR . . . .
 H97B H 0.8662 0.2437 -0.0103 0.458 Uiso 1 1 calc GR . . . .
 H97C H 0.8437 0.2543 0.0329 0.458 Uiso 1 1 calc GR . . . .
 S1AA S -0.0409(3) 0.8996(2) 0.44937(17) 0.1707(19) Uani 1 1 d D U . . .
 O7 O -0.0490(9) 0.9061(6) 0.4894(4) 0.206(5) Uani 1 1 d D U . . .
 O12 O -0.0182(10) 0.8466(5) 0.4441(4) 0.218(7) Uani 1 1 d D U . . .
 O14 O -0.0012(12) 0.9306(8) 0.4245(6) 0.271(9) Uani 1 1 d D U . . .
 S1 S 0.8968(4) 0.6853(3) -0.0005(3) 0.229(3) Uani 1 1 d D U . . .
 O5 O 0.8929(7) 0.6369(6) 0.0165(4) 0.194(6) Uani 1 1 d D U . . .
 O16 O 0.8598(10) 0.7255(7) 0.0223(5) 0.252(8) Uani 1 1 d D U . . .
 C59 C 0.9924(8) 0.6848(8) -0.0066(5) 0.277(10) Uani 1 1 d D U . . .
 F10 F -0.1558(10) 0.9759(5) 0.4433(4) 0.258(7) Uani 1 1 d D U . . .
 F0AA F -0.1741(9) 0.9022(7) 0.4633(5) 0.276(8) Uani 1 1 d D U . . .
 F23 F -0.1288(10) 0.9162(6) 0.4041(4) 0.247(6) Uani 1 1 d D U . . .
 C75 C -0.1326(10) 0.9262(8) 0.4392(6) 0.254(10) Uani 1 1 d D U . . .
 F6 F 1.0286(7) 0.6424(6) -0.0257(4) 0.255(7) Uani 1 1 d D U . . .
 O0AA O 0.8801(11) 0.6962(9) -0.0388(5) 0.275(9) Uani 1 1 d D U . . .
 O19 O 0.2335(8) 0.4973(7) 0.1105(6) 0.258(8) Uani 1 1 d D U . . .
 F38 F 1.0048(15) 0.7289(7) -0.0264(6) 0.353(12) Uani 1 1 d D U . . .
 F46 F 1.0046(11) 0.6825(7) 0.0301(5) 0.313(8) Uani 1 1 d D 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
 Rh01 O00T 2.100(7) . ?
 Rh01 O00Y 1.989(9) . ?
 Rh01 N01Q 2.148(9) . ?
 Rh01 C027 2.114(13) . ?
 Rh01 C02S 2.140(14) . ?
 Rh01 C03I 2.105(12) . ?
 Rh01 C03Q 2.183(13) . ?
 Rh01 C069 2.116(14) . ?
 Rh02 O00V 2.028(9) . ?
 Rh02 N00W 2.138(10) . ?
 Rh02 O00X 2.002(11) . ?
 Rh02 C04C 2.130(16) . ?
 Rh02 C04E 2.111(14) . ?
 Rh02 C05T 2.159(15) . ?
 Rh02 C06J 2.161(15) . ?
 Rh02 C07D 2.182(13) . ?
 Rh03 O00S 2.039(8) . ?
 Rh03 O017 2.003(10) . ?
 Rh03 N02H 2.123(10) . ?
 Rh03 C03C 2.149(18) . ?
 Rh03 C04F 2.128(14) . ?
 Rh03 C04U 2.195(13) . ?
 Rh03 C05P 2.128(18) . ?
 Rh03 C06I 2.104(19) . ?
 Rh04 O01A 1.994(12) . ?
 Rh04 O023 2.085(12) . ?
 Rh04 N02F 2.150(11) . ?
 Rh04 C05I 2.107(15) . ?
 Rh04 C05J 2.13(2) . ?
 Rh04 C071 2.158(17) . ?
 Rh04 C07R 2.169(19) . ?
 Rh04 C7AA 2.108(17) . ?
 Rh05 O01M 1.982(12) . ?
 Rh05 O02X 2.018(11) . ?
 Rh05 N030 2.160(11) . ?
 Rh05 C06L 2.161(13) . ?
 Rh05 C06U 2.151(13) . ?
 Rh05 C072 2.108(12) . ?
 Rh05 C077 2.154(13) . ?
 Rh05 C09H 2.111(13) . ?
 Rh06 O013 2.024(11) . ?
 Rh06 O01D 2.040(12) . ?
 Rh06 N025 2.162(12) . ?
 Rh06 C06M 2.11(2) . ?
 Rh06 C075 2.06(2) . ?
 Rh06 C088 2.202(15) . ?
 Rh06 C08L 2.18(2) . ?
 Rh06 C77 2.123(19) . ?
 Rh07 O01F 2.038(12) . ?
 Rh07 O01P 2.040(11) . ?
 Rh07 N01X 2.171(12) . ?
 Rh07 C04V 2.15(2) . ?
 Rh07 C09U 2.15(2) . ?
 Rh07 C0AB 2.14(2) . ?
 Rh07 C1BA 2.118(19) . ?
 Rh07 C143 2.09(2) . ?
 Rh08 O041 2.024(14) . ?
 Rh08 N04L 2.114(12) . ?
 Rh08 C07A 2.21(2) . ?
 Rh08 C07K 2.17(2) . ?
 Rh08 O76 2.028(12) . ?
 Rh08 C4AA 2.15(2) . ?
 Rh08 C125 2.07(2) . ?
 Rh08 C8AA 2.210(18) . ?
 Rh00 O04Z 2.035(14) . ?
 Rh00 N053 2.189(14) . ?
 Rh00 O05Q 1.990(16) . ?
 Rh00 C07I 2.126(14) . ?
 Rh00 C093 2.137(14) . ?
 Rh00 C0A0 2.127(15) . ?
 Rh00 C0B3 2.122(14) . ?
 Rh00 C1AA 2.129(14) . ?
 S00C C01G 1.755(13) . ?
 S00C C02L 1.732(13) . ?
 S00D C02E 1.734(13) . ?
 S00D C05K 1.708(14) . ?
 S00E C03K 1.755(13) . ?
 S00E C2BA 1.704(13) . ?
 S00F C01K 1.685(11) . ?
 S00F C048 1.703(12) . ?
 S00G C03L 1.746(12) . ?
 S00G C04X 1.731(15) . ?
 S00H C021 1.729(13) . ?
 S00H C035 1.702(14) . ?
 S00I C04A 1.703(15) . ?
 S00I C05O 1.584(12) . ?
 S00J O00Z 1.423(11) . ?
 S00J O02I 1.435(11) . ?
 S00J C032 1.779(13) . ?
 S00J O03T 1.439(12) . ?
 S00K C05Y 1.674(18) . ?
 S00K C06D 1.695(14) . ?
 S00L C04B 1.712(14) . ?
 S00L C057 1.729(13) . ?
 S00M C054 1.698(16) . ?
 S00M C05R 1.712(15) . ?
 S00N C05C 1.713(15) . ?
 S00N O086 1.406(13) . ?
 S00N O31 1.357(12) . ?
 S00N O96 1.370(13) . ?
 O00S C01Y 1.309(12) . ?
 O00T C01T 1.246(13) . ?
 N00U C014 1.403(13) . ?
 N00U C01G 1.380(14) . ?
 N00U C01N 1.373(14) . ?
 O00V C02K 1.300(12) . ?
 N00W C019 1.401(13) . ?
 N00W C01Z 1.293(15) . ?
 O00X C043 1.322(12) . ?
 O00Y C03A 1.330(14) . ?
 C010 C016 1.399(12) . ?
 C010 C02B 1.396(12) . ?
 F012 C032 1.297(14) . ?
 O013 C33 1.247(13) . ?
 C014 C019 1.333(12) . ?
 C014 C22 1.392(15) . ?
 N015 C02N 1.351(18) . ?
 N015 C03K 1.377(16) . ?
 N015 C94 1.376(13) . ?
 C016 C01H 1.425(12) . ?
 C016 C01T 1.464(12) . ?
 O017 C02W 1.313(13) . ?
 N018 C028 1.351(13) . ?
 N018 C03N 1.348(14) . ?
 N018 C04A 1.430(17) . ?
 C019 C01O 1.418(16) . ?
 O01A C83 1.295(15) . ?
 C01C C01I 1.478(15) . ?
 C01C C01Y 1.423(9) . ?
 C01C C02Q 1.387(13) . ?
 O01D C08B 1.258(12) . ?
 N01E C02U 1.337(15) . ?
 N01E C040 1.310(17) . ?
 N01E C048 1.412(16) . ?
 O01F C03M 1.294(13) . ?
 C01G C03H 1.327(17) . ?
 C01H C01Y 1.400(13) . ?
 C01H C02W 1.419(15) . ?
 C01I C01T 1.385(16) . ?
 C01I C03A 1.419(16) . ?
 N01J C035 1.360(17) . ?
 N01J C03X 1.365(17) . ?
 N01J C070 1.368(14) . ?
 C01K C02L 1.475(16) . ?
 C01K C02V 1.374(14) . ?
 N01L C03B 1.357(15) . ?
 N01L C03O 1.369(17) . ?
 N01L C05K 1.405(18) . ?
 O01M C037 1.289(13) . ?
 C01N C01O 1.391(13) . ?
 O01P C04M 1.285(17) . ?
 N01Q C04J 1.351(8) . ?
 N01Q C04N 1.360(9) . ?
 N01S C04I 1.443(18) . ?
 N01S C04X 1.378(17) . ?
 N01S C059 1.362(16) . ?
 C01U C022 1.347(13) . ?
 C01U C03A 1.415(13) . ?
 C01V O023 1.229(16) . ?
 C01V C024 1.429(15) . ?
 C01V C05Z 1.412(15) . ?
 N01X C02O 1.304(14) . ?
 N01X C03Z 1.345(13) . ?
 C01Z C02R 1.369(13) . ?
 F020 C032 1.290(14) . ?
 C021 C02P 1.32(2) . ?
 C021 C03L 1.378(18) . ?
 C022 C02Q 1.428(13) . ?
 C024 C05V 1.375(15) . ?
 C024 C83 1.443(14) . ?
 N025 C076 1.362(14) . ?
 N025 C07B 1.342(13) . ?
 C026 C02B 1.367(12) . ?
 C026 C02W 1.380(13) . ?
 C027 C02A 1.502(19) . ?
 C027 C02S 1.379(14) . ?
 C027 C069 1.411(14) . ?
 C028 C063 1.395(15) . ?
 C028 C07S 1.463(19) . ?
 C02E C07O 1.374(14) . ?
 C02E C2BA 1.439(17) . ?
 N02F C05D 1.363(14) . ?
 N02F C062 1.379(13) . ?
 N02G C04B 1.419(18) . ?
 N02G C04W 1.378(16) . ?
 N02G C05N 1.399(18) . ?
 N02H C05F 1.352(14) . ?
 N02H C07S 1.370(13) . ?
 F02J C032 1.363(14) . ?
 C02K C02Y 1.410(13) . ?
 C02K C031 1.451(13) . ?
 C02L C068 1.391(13) . ?
 C02N C03V 1.388(15) . ?
 C02O C06K 1.427(15) . ?
 C02P C03S 1.47(2) . ?
 C02R C22 1.405(13) . ?
 C02S C03Q 1.420(14) . ?
 C02S C06Q 1.497(15) . ?
 C02T C04X 1.388(15) . ?
 C02T C08C 1.415(15) . ?
 C02U C061 1.378(19) . ?
 C02U C062 1.403(14) . ?
 C02V C07H 1.409(14) . ?
 O02X C04R 1.278(13) . ?
 C02Y C03E 1.392(14) . ?
 C02Y C043 1.423(14) . ?
 C02Z C031 1.428(14) . ?
 C02Z C03M 1.349(19) . ?
 C02Z C04M 1.42(2) . ?
 N030 C04H 1.379(13) . ?
 N030 C06B 1.330(13) . ?
 C031 C05A 1.410(14) . ?
 C033 C037 1.435(14) . ?
 C033 C03F 1.402(9) . ?
 C033 C04R 1.412(14) . ?
 C034 C03X 1.404(15) . ?
 C034 C04Y 1.347(19) . ?
 C035 C03S 1.370(15) . ?
 C037 C05V 1.402(9) . ?
 N038 C054 1.33(2) . ?
 N038 C06Y 1.384(15) . ?
 N038 C54 1.356(18) . ?
 N039 C05Y 1.47(2) . ?
 N039 C08X 1.343(14) . ?
 N039 C2AA 1.369(14) . ?
 C03B C03P 1.393(14) . ?
 C03B C04J 1.417(13) . ?
 C03C C04F 1.387(15) . ?
 C03C C04U 1.401(14) . ?
 C03C C142 1.523(16) . ?
 C03E C04M 1.460(14) . ?
 C03E C04Q 1.410(14) . ?
 C03F C06F 1.418(14) . ?
 C03F C83 1.412(9) . ?
 C03G C04G 1.409(15) . ?
 C03G C08F 1.442(15) . ?
 C03G O76 1.337(18) . ?
 C03H C068 1.400(13) . ?
 C03I C03Q 1.408(14) . ?
 C03I C069 1.451(19) . ?
 C03I C081 1.517(15) . ?
 C03J C040 1.436(18) . ?
 C03J C062 1.300(17) . ?
 C03K C06W 1.373(14) . ?
 C03L C08C 1.372(14) . ?
 C03M C07F 1.430(15) . ?
 C03N C03Y 1.380(17) . ?
 C03O C31 1.406(14) . ?
 C03P C066 1.349(14) . ?
 C03Q C046 1.464(15) . ?
 C03R C04H 1.367(18) . ?
 C03R C07W 1.390(14) . ?
 C03U C04R 1.408(15) . ?
 C03U C06A 1.364(15) . ?
 C03V C06C 1.411(14) . ?
 C03W C04B 1.377(15) . ?
 C03W C051 1.402(15) . ?
 C03X C050 1.416(15) . ?
 C03Y C07S 1.401(14) . ?
 C03Z C059 1.352(18) . ?
 C03Z C06R 1.367(14) . ?
 O041 C07E 1.244(17) . ?
 C042 C06Y 1.364(15) . ?
 C042 C07B 1.363(14) . ?
 C043 C05B 1.432(15) . ?
 C044 C05F 1.49(2) . ?
 C044 C063 1.350(15) . ?
 C048 C07H 1.376(14) . ?
 C04A C08J 1.389(14) . ?
 C04C C04E 1.422(15) . ?
 C04C C05T 1.416(15) . ?
 C04C C0AH 1.524(16) . ?
 C04E C06J 1.453(15) . ?
 C04E C08K 1.47(2) . ?
 C04F C06I 1.410(15) . ?
 C04F C5AA 1.503(16) . ?
 C04G C07E 1.437(15) . ?
 C04G C07X 1.395(15) . ?
 C04I C06R 1.387(14) . ?
 C04J C31 1.417(13) . ?
 F04K C7 1.346(17) . ?
 N04L C050 1.370(13) . ?
 N04L C05X 1.345(14) . ?
 C04N C066 1.410(14) . ?
 C04O C04P 1.397(14) . ?
 C04O C06V 1.410(15) . ?
 C04O C33 1.428(14) . ?
 C04P C065 1.440(14) . ?
 C04Q C055 1.417(14) . ?
 C04T C05K 1.34(2) . ?
 C04T C07O 1.392(15) . ?
 C04U C05P 1.379(15) . ?
 C04U C106 1.534(15) . ?
 C04V C08I 1.543(17) . ?
 C04V C09U 1.401(16) . ?
 C04V C143 1.444(17) . ?
 C04W C06B 1.394(14) . ?
 C04W C07W 1.371(14) . ?
 C04Y C05X 1.414(14) . ?
 O04Z C32 1.331(14) . ?
 C050 C06X 1.432(15) . ?
 C051 C057 1.33(2) . ?
 C052 C05A 1.358(14) . ?
 C052 C07F 1.410(15) . ?
 N053 C06C 1.340(15) . ?
 N053 C08U 1.387(15) . ?
 C054 C0AA 1.398(16) . ?
 C055 C05B 1.377(15) . ?
 C056 C059 1.420(14) . ?
 C056 C06K 1.33(2) . ?
 C057 C05R 1.40(2) . ?
 F058 C05C 1.371(15) . ?
 C05C F09N 1.432(15) . ?
 C05C F92 1.347(15) . ?
 C05D C089 1.383(15) . ?
 C05G C08B 1.479(15) . ?
 C05G C33 1.428(14) . ?
 C05G C45 1.410(15) . ?
 C05I C07R 1.417(15) . ?
 C05I C09W 1.516(16) . ?
 C05I C7AA 1.447(15) . ?
 C05J C071 1.402(15) . ?
 C05J C07R 1.377(16) . ?
 C05J C0AT 1.480(16) . ?
 C05M C07X 1.379(15) . ?
 C05M C0CA 1.368(16) . ?
 C05N C06N 1.387(14) . ?
 C05O C06D 1.447(13) . ?
 C05O C08W 1.392(15) . ?
 C05P C06I 1.378(15) . ?
 C05P C09Z 1.529(17) . ?
 O05Q C06P 1.259(14) . ?
 C05R C07T 1.374(16) . ?
 C05S C08B 1.434(15) . ?
 C05S C37 1.361(16) . ?
 C05T C07D 1.389(14) . ?
 C05T C084 1.492(15) . ?
 C05U C065 1.31(2) . ?
 C05U C06P 1.378(15) . ?
 C05V C06S 1.400(15) . ?
 C05Y C3AA 1.390(16) . ?
 C05Z C078 1.321(15) . ?
 O060 S0AA 1.487(13) . ?
 C061 C089 1.412(15) . ?
 C064 C06W 1.407(14) . ?
 C064 C2BA 1.344(13) . ?
 C069 C07C 1.515(15) . ?
 C06A C06F 1.390(15) . ?
 C06B C06N 1.397(14) . ?
 C06C C94 1.422(15) . ?
 C06D C07V 1.406(15) . ?
 C06I C5BA 1.519(16) . ?
 C06J C07D 1.394(14) . ?
 C06J C07M 1.507(16) . ?
 C06L C06U 1.386(15) . ?
 C06L C072 1.361(15) . ?
 C06L C0AD 1.467(16) . ?
 C06M C088 1.393(16) . ?
 C06M C09J 1.532(16) . ?
 C06M C77 1.393(15) . ?
 C06P C06V 1.443(14) . ?
 C06S C078 1.397(9) . ?
 C06T C37 1.400(15) . ?
 C06T C45 1.418(15) . ?
 C06U C077 1.409(15) . ?
 C06U C51 1.506(16) . ?
 C06V C32 1.404(14) . ?
 C06X C070 1.22(2) . ?
 C071 C09M 1.480(16) . ?
 C071 C7AA 1.400(15) . ?
 C072 C09H 1.387(15) . ?
 C072 C67 1.503(17) . ?
 C073 C08R 1.411(16) . ?
 C073 C08U 1.388(16) . ?
 C074 N085 1.409(15) . ?
 C074 C87 1.351(17) . ?
 C075 C08L 1.428(16) . ?
 C075 C77 1.375(16) . ?
 C075 C0BA 1.506(16) . ?
 C076 C71 1.392(15) . ?
 C077 C09H 1.424(15) . ?
 C077 C93 1.508(16) . ?
 C07A C0AI 1.538(17) . ?
 C07A C4AA 1.399(17) . ?
 C07A C8AA 1.436(16) . ?
 C07B C54 1.424(15) . ?
 C07D C087 1.499(14) . ?
 C07E C73 1.389(16) . ?
 C07I C0A0 1.467(17) . ?
 C07I C0AJ 1.540(16) . ?
 C07I C0B3 1.377(16) . ?
 C07J C092 1.425(16) . ?
 C07J C73 1.428(16) . ?
 C07J C9AA 1.419(16) . ?
 C07K C125 1.424(16) . ?
 C07K C8AA 1.382(16) . ?
 C07K C96 1.542(17) . ?
 C07R C08S 1.487(16) . ?
 C07T C0AA 1.408(16) . ?
 C07V C3AA 1.412(15) . ?
 C07X C9AA 1.437(16) . ?
 C082 N085 1.384(15) . ?
 C082 C08X 1.387(13) . ?
 C082 C097 1.374(15) . ?
 N085 Rh0A 1.987(12) . ?
 C088 C08L 1.367(16) . ?
 C088 C218 1.513(16) . ?
 C08F C0CA 1.384(15) . ?
 C08J C08W 1.412(15) . ?
 C08L C141 1.513(17) . ?
 C08R C94 1.367(14) . ?
 C08X C6BA 1.386(15) . ?
 C092 C88 1.413(17) . ?
 C092 O55 1.355(15) . ?
 C093 C0A0 1.358(17) . ?
 C093 C0AO 1.529(18) . ?
 C093 C1AA 1.410(17) . ?
 C094 C90 1.517(14) . ?
 C094 Rh0A 2.265(15) . ?
 C094 C247 1.390(13) . ?
 C094 Rh6 2.031(17) . ?
 C094 C180 1.388(18) . ?
 C096 C247 1.480(13) . ?
 C097 C2AA 1.395(15) . ?
 C09H C103 1.529(15) . ?
 C09U C0AB 1.361(16) . ?
 C09U C61 1.502(18) . ?
 C0A0 C150 1.525(18) . ?
 C0A8 C7AA 1.510(16) . ?
 C0AB C1BA 1.379(16) . ?
 C0AB C6AA 1.467(16) . ?
 C0B2 C1BA 1.502(17) . ?
 C0B3 C1AA 1.363(16) . ?
 C0B3 C70 1.542(16) . ?
 C25 C54 1.39(2) . ?
 C25 C71 1.327(15) . ?
 C32 C45 1.425(14) . ?
 O65 C9AA 1.284(14) . ?
 O65 Rh0A 2.386(14) . ?
 O65 Rh6 1.772(13) . ?
 C73 C127 1.411(9) . ?
 C77 C164 1.539(17) . ?
 C86 C125 1.493(17) . ?
 C87 C6BA 1.395(17) . ?
 C88 C1CA 1.423(10) . ?
 C4AA C105 1.487(17) . ?
 C4AA C125 1.347(16) . ?
 Rh0A C3BA 2.267(16) . ?
 Rh0A C247 2.080(14) . ?
 Rh0A O55 1.686(15) . ?
 Rh0A Rh6 1.203(4) . ?
 C1BA C143 1.385(17) . ?
 C128 C143 1.505(18) . ?
 C3BA C230 1.513(13) . ?
 C3BA C247 1.404(13) . ?
 C3BA Rh6 1.905(17) . ?
 C3BA C8BA 1.415(17) . ?
 C247 Rh6 2.191(15) . ?
 C127 C1CA 1.399(10) . ?
 C1AA C97 1.515(17) . ?
 F8AA C4BA 1.312(16) . ?
 F15 C4BA 1.335(16) . ?
 F30 C4BA 1.310(17) . ?
 O45 S48 1.400(15) . ?
 C4BA S48 1.785(16) . ?
 C8AA C7BA 1.486(16) . ?
 O55 Rh6 2.282(16) . ?
 C7 F25 1.348(18) . ?
 C7 S0AA 1.816(16) . ?
 C7 F56 1.334(18) . ?
 S0AA O9 1.405(14) . ?
 S0AA O19 1.417(12) . ?
 C130 C180 1.509(18) . ?
 O136 S48 1.430(13) . ?
 O18 S48 1.458(15) . ?
 Rh6 C8BA 1.91(2) . ?
 Rh6 C180 1.903(17) . ?
 C8BA C180 1.406(18) . ?
 C8BA C115 1.505(18) . ?
 S1AA O7 1.467(13) . ?
 S1AA O12 1.417(12) . ?
 S1AA O14 1.458(15) . ?
 S1AA C75 1.818(18) . ?
 S1 O5 1.420(12) . ?
 S1 O16 1.407(13) . ?
 S1 C59 1.834(14) . ?
 S1 O0AA 1.473(14) . ?
 C59 F6 1.372(17) . ?
 C59 F38 1.403(17) . ?
 C59 F46 1.391(17) . ?
 F10 C75 1.324(17) . ?
 F0AA C75 1.345(18) . ?
 F23 C75 1.326(17) . ?

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
 O00T Rh01 N01Q 88.2(3) . . ?
 O00T Rh01 C027 102.1(4) . . ?
 O00T Rh01 C02S 97.2(4) . . ?
 O00T Rh01 C03I 160.2(5) . . ?
 O00T Rh01 C03Q 122.9(5) . . ?
 O00T Rh01 C069 137.7(5) . . ?
 O00Y Rh01 O00T 82.6(3) . . ?
 O00Y Rh01 N01Q 87.2(4) . . ?
 O00Y Rh01 C027 106.5(5) . . ?
 O00Y Rh01 C02S 143.7(5) . . ?
 O00Y Rh01 C03I 115.7(5) . . ?
 O00Y Rh01 C03Q 153.9(5) . . ?
 O00Y Rh01 C069 93.0(5) . . ?
 N01Q Rh01 C03Q 98.1(5) . . ?
 C027 Rh01 N01Q 163.8(5) . . ?
 C027 Rh01 C02S 37.8(4) . . ?
 C027 Rh01 C03Q 65.8(5) . . ?
 C027 Rh01 C069 39.0(4) . . ?
 C02S Rh01 N01Q 129.1(5) . . ?
 C02S Rh01 C03Q 38.3(4) . . ?
 C03I Rh01 N01Q 99.6(5) . . ?
 C03I Rh01 C027 66.9(5) . . ?
 C03I Rh01 C02S 63.8(5) . . ?
 C03I Rh01 C03Q 38.3(4) . . ?
 C03I Rh01 C069 40.2(5) . . ?
 C069 Rh01 N01Q 133.9(5) . . ?
 C069 Rh01 C02S 62.9(5) . . ?
 C069 Rh01 C03Q 65.0(5) . . ?
 O00V Rh02 N00W 87.2(4) . . ?
 O00V Rh02 C04C 154.3(5) . . ?
 O00V Rh02 C04E 115.3(4) . . ?
 O00V Rh02 C05T 150.0(5) . . ?
 O00V Rh02 C06J 97.6(4) . . ?
 O00V Rh02 C07D 113.4(4) . . ?
 N00W Rh02 C05T 94.1(5) . . ?
 N00W Rh02 C06J 139.2(5) . . ?
 N00W Rh02 C07D 103.9(5) . . ?
 O00X Rh02 O00V 84.4(4) . . ?
 O00X Rh02 N00W 84.6(4) . . ?
 O00X Rh02 C04C 96.0(5) . . ?
 O00X Rh02 C04E 100.0(5) . . ?
 O00X Rh02 C05T 125.6(5) . . ?
 O00X Rh02 C06J 136.1(5) . . ?
 O00X Rh02 C07D 160.3(4) . . ?
 C04C Rh02 N00W 118.5(5) . . ?
 C04C Rh02 C05T 38.6(4) . . ?
 C04C Rh02 C06J 64.5(5) . . ?
 C04C Rh02 C07D 64.2(5) . . ?
 C04E Rh02 N00W 157.3(5) . . ?
 C04E Rh02 C04C 39.2(4) . . ?
 C04E Rh02 C05T 65.0(5) . . ?
 C04E Rh02 C06J 39.7(4) . . ?
 C04E Rh02 C07D 65.4(4) . . ?
 C05T Rh02 C06J 62.7(5) . . ?
 C05T Rh02 C07D 37.3(4) . . ?
 C06J Rh02 C07D 37.4(4) . . ?
 O00S Rh03 N02H 86.1(4) . . ?
 O00S Rh03 C03C 98.6(5) . . ?
 O00S Rh03 C04F 106.4(5) . . ?
 O00S Rh03 C04U 123.8(4) . . ?
 O00S Rh03 C05P 160.5(5) . . ?
 O00S Rh03 C06I 142.1(5) . . ?
 O017 Rh03 O00S 83.9(3) . . ?
 O017 Rh03 N02H 87.7(4) . . ?
 O017 Rh03 C03C 144.3(5) . . ?
 O017 Rh03 C04F 107.1(5) . . ?
 O017 Rh03 C04U 151.8(4) . . ?
 O017 Rh03 C05P 114.7(5) . . ?
 O017 Rh03 C06I 92.6(5) . . ?
 N02H Rh03 C03C 128.0(5) . . ?
 N02H Rh03 C04F 161.3(5) . . ?
 N02H Rh03 C04U 98.4(5) . . ?
 N02H Rh03 C05P 99.6(5) . . ?
 C03C Rh03 C04U 37.6(4) . . ?
 C04F Rh03 C03C 37.8(4) . . ?
 C04F Rh03 C04U 63.2(5) . . ?
 C04F Rh03 C05P 64.1(5) . . ?
 C05P Rh03 C03C 63.2(6) . . ?
 C05P Rh03 C04U 37.2(4) . . ?
 C06I Rh03 N02H 131.6(5) . . ?
 C06I Rh03 C03C 63.7(5) . . ?
 C06I Rh03 C04F 38.9(4) . . ?
 C06I Rh03 C04U 62.8(6) . . ?
 C06I Rh03 C05P 38.0(5) . . ?
 O01A Rh04 O023 78.5(4) . . ?
 O01A Rh04 N02F 86.7(5) . . ?
 O01A Rh04 C05I 149.1(5) . . ?
 O01A Rh04 C05J 92.6(6) . . ?
 O01A Rh04 C071 110.9(5) . . ?
 O01A Rh04 C07R 110.8(6) . . ?
 O01A Rh04 C7AA 148.7(5) . . ?
 O023 Rh04 N02F 86.5(5) . . ?
 O023 Rh04 C05I 97.6(5) . . ?
 O023 Rh04 C05J 125.9(5) . . ?
 O023 Rh04 C071 159.1(5) . . ?
 O023 Rh04 C07R 96.5(6) . . ?
 O023 Rh04 C7AA 132.1(5) . . ?
 N02F Rh04 C071 112.0(5) . . ?
 N02F Rh04 C07R 162.5(6) . . ?
 C05I Rh04 N02F 123.9(6) . . ?
 C05I Rh04 C05J 64.6(7) . . ?
 C05I Rh04 C071 64.5(5) . . ?
 C05I Rh04 C07R 38.7(5) . . ?
 C05I Rh04 C7AA 40.2(4) . . ?
 C05J Rh04 N02F 146.8(6) . . ?
 C05J Rh04 C071 38.2(4) . . ?
 C05J Rh04 C07R 37.4(5) . . ?
 C071 Rh04 C07R 62.9(6) . . ?
 C7AA Rh04 N02F 100.0(6) . . ?
 C7AA Rh04 C05J 65.2(6) . . ?
 C7AA Rh04 C071 38.3(5) . . ?
 C7AA Rh04 C07R 65.3(7) . . ?
 O01M Rh05 O02X 82.7(5) . . ?
 O01M Rh05 N030 87.0(5) . . ?
 O01M Rh05 C06L 122.2(5) . . ?
 O01M Rh05 C06U 159.7(5) . . ?
 O01M Rh05 C072 98.1(5) . . ?
 O01M Rh05 C077 144.3(5) . . ?
 O01M Rh05 C09H 107.8(5) . . ?
 O02X Rh05 N030 85.7(4) . . ?
 O02X Rh05 C06L 154.7(5) . . ?
 O02X Rh05 C06U 117.4(5) . . ?
 O02X Rh05 C072 145.1(5) . . ?
 O02X Rh05 C077 95.0(5) . . ?
 O02X Rh05 C09H 108.0(5) . . ?
 N030 Rh05 C06L 99.0(5) . . ?
 C06U Rh05 N030 97.1(5) . . ?
 C06U Rh05 C06L 37.5(4) . . ?
 C06U Rh05 C077 38.2(4) . . ?
 C072 Rh05 N030 129.2(5) . . ?
 C072 Rh05 C06L 37.2(4) . . ?
 C072 Rh05 C06U 64.0(5) . . ?
 C072 Rh05 C077 64.2(5) . . ?
 C072 Rh05 C09H 38.4(4) . . ?
 C077 Rh05 N030 128.6(5) . . ?
 C077 Rh05 C06L 62.6(5) . . ?
 C09H Rh05 N030 160.7(6) . . ?
 C09H Rh05 C06L 62.8(6) . . ?
 C09H Rh05 C06U 64.7(5) . . ?
 C09H Rh05 C077 39.0(4) . . ?
 O013 Rh06 O01D 79.8(4) . . ?
 O013 Rh06 N025 87.1(4) . . ?
 O013 Rh06 C06M 129.7(5) . . ?
 O013 Rh06 C075 126.2(6) . . ?
 O013 Rh06 C088 98.0(5) . . ?
 O013 Rh06 C08L 95.3(6) . . ?
 O013 Rh06 C77 158.4(6) . . ?
 O01D Rh06 N025 85.3(5) . . ?
 O01D Rh06 C06M 149.9(5) . . ?
 O01D Rh06 C075 93.9(6) . . ?
 O01D Rh06 C088 150.5(5) . . ?
 O01D Rh06 C08L 114.2(5) . . ?
 O01D Rh06 C77 111.9(5) . . ?
 N025 Rh06 C088 124.1(5) . . ?
 N025 Rh06 C08L 160.4(6) . . ?
 C06M Rh06 N025 100.6(6) . . ?
 C06M Rh06 C088 37.6(4) . . ?
 C06M Rh06 C08L 63.1(5) . . ?
 C06M Rh06 C77 38.4(4) . . ?
 C075 Rh06 N025 146.1(6) . . ?
 C075 Rh06 C06M 64.7(7) . . ?
 C075 Rh06 C088 63.4(6) . . ?
 C075 Rh06 C08L 39.2(5) . . ?
 C075 Rh06 C77 38.3(5) . . ?
 C08L Rh06 C088 36.3(4) . . ?
 C77 Rh06 N025 111.2(6) . . ?
 C77 Rh06 C088 62.7(5) . . ?
 C77 Rh06 C08L 63.5(7) . . ?
 O01F Rh07 O01P 82.1(4) . . ?
 O01F Rh07 N01X 86.4(5) . . ?
 O01F Rh07 C04V 93.1(6) . . ?
 O01F Rh07 C09U 113.6(5) . . ?
 O01F Rh07 C0AB 150.6(5) . . ?
 O01F Rh07 C1BA 147.1(6) . . ?
 O01F Rh07 C143 108.9(7) . . ?
 O01P Rh07 N01X 87.2(4) . . ?
 O01P Rh07 C04V 140.0(6) . . ?
 O01P Rh07 C09U 163.0(6) . . ?
 O01P Rh07 C0AB 127.1(5) . . ?
 O01P Rh07 C1BA 100.4(6) . . ?
 O01P Rh07 C143 104.6(6) . . ?
 C04V Rh07 N01X 132.3(5) . . ?
 C09U Rh07 N01X 99.8(5) . . ?
 C09U Rh07 C04V 38.0(5) . . ?
 C0AB Rh07 N01X 97.0(6) . . ?
 C0AB Rh07 C04V 63.1(6) . . ?
 C0AB Rh07 C09U 37.0(5) . . ?
 C1BA Rh07 N01X 126.3(6) . . ?
 C1BA Rh07 C04V 63.9(7) . . ?
 C1BA Rh07 C09U 62.9(6) . . ?
 C1BA Rh07 C0AB 37.8(5) . . ?
 C143 Rh07 N01X 161.6(6) . . ?
 C143 Rh07 C04V 39.8(5) . . ?
 C143 Rh07 C09U 65.1(6) . . ?
 C143 Rh07 C0AB 64.6(7) . . ?
 C143 Rh07 C1BA 38.4(5) . . ?
 O041 Rh08 N04L 87.9(6) . . ?
 O041 Rh08 C07A 96.0(7) . . ?
 O041 Rh08 C07K 137.2(6) . . ?
 O041 Rh08 O76 80.0(5) . . ?
 O041 Rh08 C4AA 122.6(6) . . ?
 O041 Rh08 C125 158.7(6) . . ?
 O041 Rh08 C8AA 103.6(6) . . ?
 N04L Rh08 C07A 131.7(6) . . ?
 N04L Rh08 C07K 134.5(6) . . ?
 N04L Rh08 C4AA 102.5(6) . . ?
 N04L Rh08 C8AA 164.5(6) . . ?
 C07K Rh08 C07A 62.8(6) . . ?
 C07K Rh08 C8AA 36.8(4) . . ?
 O76 Rh08 N04L 85.0(5) . . ?
 O76 Rh08 C07A 143.1(6) . . ?
 O76 Rh08 C07K 95.4(6) . . ?
 O76 Rh08 C4AA 155.9(6) . . ?
 O76 Rh08 C125 119.1(6) . . ?
 O76 Rh08 C8AA 107.0(5) . . ?
 C4AA Rh08 C07A 37.3(5) . . ?
 C4AA Rh08 C07K 62.9(6) . . ?
 C4AA Rh08 C8AA 62.5(6) . . ?
 C125 Rh08 N04L 102.2(6) . . ?
 C125 Rh08 C07A 63.2(6) . . ?
 C125 Rh08 C07K 39.2(5) . . ?
 C125 Rh08 C4AA 37.2(5) . . ?
 C125 Rh08 C8AA 63.6(6) . . ?
 C8AA Rh08 C07A 37.9(5) . . ?
 O04Z Rh00 N053 86.3(6) . . ?
 O04Z Rh00 C07I 158.6(6) . . ?
 O04Z Rh00 C093 108.6(6) . . ?
 O04Z Rh00 C0A0 142.9(6) . . ?
 O04Z Rh00 C0B3 120.8(6) . . ?
 O04Z Rh00 C1AA 97.0(6) . . ?
 O05Q Rh00 O04Z 81.2(5) . . ?
 O05Q Rh00 N053 87.3(7) . . ?
 O05Q Rh00 C07I 100.2(6) . . ?
 O05Q Rh00 C093 160.0(7) . . ?
 O05Q Rh00 C0A0 135.9(6) . . ?
 O05Q Rh00 C0B3 97.3(7) . . ?
 O05Q Rh00 C1AA 124.7(7) . . ?
 C07I Rh00 N053 115.1(6) . . ?
 C07I Rh00 C093 64.2(6) . . ?
 C07I Rh00 C0A0 40.4(5) . . ?
 C07I Rh00 C1AA 64.4(6) . . ?
 C093 Rh00 N053 110.3(7) . . ?
 C0A0 Rh00 N053 94.1(7) . . ?
 C0A0 Rh00 C093 37.1(5) . . ?
 C0A0 Rh00 C1AA 64.5(6) . . ?
 C0B3 Rh00 N053 152.9(6) . . ?
 C0B3 Rh00 C07I 37.8(5) . . ?
 C0B3 Rh00 C093 62.7(7) . . ?
 C0B3 Rh00 C0A0 64.3(6) . . ?
 C0B3 Rh00 C1AA 37.4(5) . . ?
 C1AA Rh00 N053 148.0(6) . . ?
 C1AA Rh00 C093 38.6(5) . . ?
 C02L S00C C01G 91.0(6) . . ?
 C05K S00D C02E 93.2(7) . . ?
 C2BA S00E C03K 92.0(6) . . ?
 C01K S00F C048 92.7(6) . . ?
 C04X S00G C03L 93.2(7) . . ?
 C035 S00H C021 93.4(8) . . ?
 C05O S00I C04A 91.9(7) . . ?
 O00Z S00J O02I 113.9(8) . . ?
 O00Z S00J C032 100.7(8) . . ?
 O00Z S00J O03T 123.4(10) . . ?
 O02I S00J C032 102.4(8) . . ?
 O02I S00J O03T 111.6(9) . . ?
 O03T S00J C032 100.7(8) . . ?
 C05Y S00K C06D 94.9(8) . . ?
 C04B S00L C057 91.6(8) . . ?
 C054 S00M C05R 95.4(9) . . ?
 O086 S00N C05C 107.8(10) . . ?
 O31 S00N C05C 107.1(10) . . ?
 O31 S00N O086 106.3(9) . . ?
 O31 S00N O96 110.2(10) . . ?
 O96 S00N C05C 118.1(11) . . ?
 O96 S00N O086 106.6(10) . . ?
 C01Y O00S Rh03 134.9(7) . . ?
 C01T O00T Rh01 132.0(7) . . ?
 C01G N00U C014 126.9(10) . . ?
 C01N N00U C014 106.6(9) . . ?
 C01N N00U C01G 126.3(9) . . ?
 C02K O00V Rh02 133.9(8) . . ?
 C019 N00W Rh02 120.6(9) . . ?
 C01Z N00W Rh02 122.2(8) . . ?
 C01Z N00W C019 117.2(10) . . ?
 C043 O00X Rh02 132.4(9) . . ?
 C03A O00Y Rh01 127.9(7) . . ?
 C02B C010 C016 119.3(10) . . ?
 C33 O013 Rh06 135.3(9) . . ?
 C019 C014 N00U 108.5(9) . . ?
 C019 C014 C22 123.2(9) . . ?
 C22 C014 N00U 128.2(10) . . ?
 C02N N015 C03K 124.8(12) . . ?
 C02N N015 C94 110.3(13) . . ?
 C94 N015 C03K 124.8(12) . . ?
 C010 C016 C01H 120.0(8) . . ?
 C010 C016 C01T 117.5(10) . . ?
 C01H C016 C01T 122.2(9) . . ?
 C02W O017 Rh03 132.0(8) . . ?
 C028 N018 C04A 126.6(11) . . ?
 C03N N018 C028 107.4(12) . . ?
 C03N N018 C04A 125.9(11) . . ?
 N00W C019 C01O 129.0(10) . . ?
 C014 C019 N00W 120.7(10) . . ?
 C014 C019 C01O 110.1(8) . . ?
 C83 O01A Rh04 139.3(9) . . ?
 C01Y C01C C01I 120.3(11) . . ?
 C02Q C01C C01I 120.6(9) . . ?
 C02Q C01C C01Y 119.2(11) . . ?
 C08B O01D Rh06 126.1(9) . . ?
 C02U N01E C048 125.3(12) . . ?
 C040 N01E C02U 111.1(11) . . ?
 C040 N01E C048 122.5(12) . . ?
 C03M O01F Rh07 129.3(10) . . ?
 N00U C01G S00C 118.3(8) . . ?
 C03H C01G S00C 109.7(9) . . ?
 C03H C01G N00U 131.9(12) . . ?
 C01Y C01H C016 114.7(9) . . ?
 C01Y C01H C02W 127.3(10) . . ?
 C02W C01H C016 117.4(9) . . ?
 C01T C01I C01C 116.1(9) . . ?
 C01T C01I C03A 126.9(10) . . ?
 C03A C01I C01C 116.9(10) . . ?
 C035 N01J C03X 126.0(12) . . ?
 C035 N01J C070 126.6(13) . . ?
 C03X N01J C070 107.4(13) . . ?
 C02L C01K S00F 120.1(9) . . ?
 C02V C01K S00F 111.3(9) . . ?
 C02V C01K C02L 128.5(11) . . ?
 C03B N01L C03O 109.2(11) . . ?
 C03B N01L C05K 126.8(11) . . ?
 C03O N01L C05K 122.3(12) . . ?
 C037 O01M Rh05 139.6(9) . . ?
 N00U C01N C01O 110.2(9) . . ?
 C01N C01O C019 104.5(8) . . ?
 C04M O01P Rh07 133.5(9) . . ?
 C04J N01Q Rh01 122.8(7) . . ?
 C04J N01Q C04N 117.9(9) . . ?
 C04N N01Q Rh01 119.4(8) . . ?
 C04X N01S C04I 121.6(11) . . ?
 C059 N01S C04I 105.2(12) . . ?
 C059 N01S C04X 130.3(12) . . ?
 O00T C01T C016 118.2(11) . . ?
 O00T C01T C01I 120.3(10) . . ?
 C01I C01T C016 121.3(11) . . ?
 C022 C01U C03A 120.9(12) . . ?
 O023 C01V C024 127.8(14) . . ?
 O023 C01V C05Z 114.7(14) . . ?
 C05Z C01V C024 117.5(11) . . ?
 C02O N01X Rh07 117.1(10) . . ?
 C02O N01X C03Z 120.5(12) . . ?
 C03Z N01X Rh07 122.5(9) . . ?
 O00S C01Y C01C 117.4(11) . . ?
 O00S C01Y C01H 118.6(9) . . ?
 C01H C01Y C01C 123.9(11) . . ?
 N00W C01Z C02R 123.8(10) . . ?
 C02P C021 S00H 109.6(12) . . ?
 C02P C021 C03L 129.5(13) . . ?
 C03L C021 S00H 120.9(11) . . ?
 C01U C022 C02Q 122.1(12) . . ?
 C01V O023 Rh04 128.2(11) . . ?
 C01V C024 C83 119.0(12) . . ?
 C05V C024 C01V 120.4(9) . . ?
 C05V C024 C83 120.6(10) . . ?
 C076 N025 Rh06 120.8(9) . . ?
 C07B N025 Rh06 119.5(9) . . ?
 C07B N025 C076 119.6(11) . . ?
 C02B C026 C02W 118.8(10) . . ?
 C02A C027 Rh01 127.9(10) . . ?
 C02S C027 Rh01 72.1(8) . . ?
 C02S C027 C02A 128.7(12) . . ?
 C02S C027 C069 105.5(12) . . ?
 C069 C027 Rh01 70.6(8) . . ?
 C069 C027 C02A 125.3(12) . . ?
 N018 C028 C063 131.8(11) . . ?
 N018 C028 C07S 109.1(11) . . ?
 C063 C028 C07S 118.5(9) . . ?
 C026 C02B C010 122.3(10) . . ?
 C07O C02E S00D 107.3(10) . . ?
 C07O C02E C2BA 131.0(12) . . ?
 C2BA C02E S00D 121.7(9) . . ?
 C05D N02F Rh04 118.8(9) . . ?
 C05D N02F C062 119.7(10) . . ?
 C062 N02F Rh04 121.4(9) . . ?
 C04W N02G C04B 127.5(11) . . ?
 C04W N02G C05N 107.8(12) . . ?
 C05N N02G C04B 123.5(13) . . ?
 C05F N02H Rh03 119.8(8) . . ?
 C05F N02H C07S 121.0(9) . . ?
 C07S N02H Rh03 119.1(9) . . ?
 O00V C02K C02Y 122.1(11) . . ?
 O00V C02K C031 115.6(10) . . ?
 C02Y C02K C031 122.2(11) . . ?
 C01K C02L S00C 122.1(9) . . ?
 C068 C02L S00C 111.9(9) . . ?
 C068 C02L C01K 126.0(11) . . ?
 N015 C02N C03V 108.9(12) . . ?
 N01X C02O C06K 120.4(13) . . ?
 C021 C02P C03S 115.5(15) . . ?
 C01C C02Q C022 118.6(11) . . ?
 C01Z C02R C22 120.9(11) . . ?
 C027 C02S Rh01 70.1(8) . . ?
 C027 C02S C03Q 112.9(13) . . ?
 C027 C02S C06Q 121.9(13) . . ?
 C03Q C02S Rh01 72.5(8) . . ?
 C03Q C02S C06Q 124.9(14) . . ?
 C06Q C02S Rh01 120.7(10) . . ?
 C04X C02T C08C 113.0(11) . . ?
 N01E C02U C061 134.6(11) . . ?
 N01E C02U C062 105.6(10) . . ?
 C061 C02U C062 119.8(9) . . ?
 C01K C02V C07H 112.8(12) . . ?
 O017 C02W C01H 120.7(10) . . ?
 O017 C02W C026 117.0(10) . . ?
 C026 C02W C01H 122.2(11) . . ?
 C04R O02X Rh05 130.9(10) . . ?
 C02K C02Y C043 123.7(11) . . ?
 C03E C02Y C02K 116.8(11) . . ?
 C03E C02Y C043 119.5(10) . . ?
 C03M C02Z C031 118.4(13) . . ?
 C03M C02Z C04M 125.2(13) . . ?
 C04M C02Z C031 116.4(12) . . ?
 C04H N030 Rh05 118.2(9) . . ?
 C06B N030 Rh05 122.3(8) . . ?
 C06B N030 C04H 119.3(10) . . ?
 C02Z C031 C02K 121.1(12) . . ?
 C05A C031 C02K 121.4(11) . . ?
 C05A C031 C02Z 117.5(11) . . ?
 F012 C032 S00J 114.4(12) . . ?
 F012 C032 F02J 105.8(13) . . ?
 F020 C032 S00J 111.0(11) . . ?
 F020 C032 F012 110.2(14) . . ?
 F020 C032 F02J 103.7(15) . . ?
 F02J C032 S00J 111.2(11) . . ?
 C03F C033 C037 117.5(9) . . ?
 C03F C033 C04R 119.3(9) . . ?
 C04R C033 C037 122.9(11) . . ?
 C04Y C034 C03X 119.9(12) . . ?
 N01J C035 S00H 122.4(11) . . ?
 N01J C035 C03S 125.7(13) . . ?
 C03S C035 S00H 112.0(12) . . ?
 O01M C037 C033 117.3(11) . . ?
 O01M C037 C05V 122.0(12) . . ?
 C05V C037 C033 120.6(10) . . ?
 C054 N038 C06Y 122.6(16) . . ?
 C054 N038 C54 129.5(15) . . ?
 C54 N038 C06Y 106.9(14) . . ?
 C08X N039 C05Y 120.3(16) . . ?
 C08X N039 C2AA 113.9(16) . . ?
 C2AA N039 C05Y 125.5(14) . . ?
 O00Y C03A C01I 120.5(10) . . ?
 O00Y C03A C01U 119.2(11) . . ?
 C01U C03A C01I 120.0(11) . . ?
 N01L C03B C03P 134.8(11) . . ?
 N01L C03B C04J 107.1(10) . . ?
 C03P C03B C04J 118.1(10) . . ?
 C04F C03C Rh03 70.3(9) . . ?
 C04F C03C C04U 108.6(12) . . ?
 C04F C03C C142 129.1(15) . . ?
 C04U C03C Rh03 73.0(9) . . ?
 C04U C03C C142 122.3(15) . . ?
 C142 C03C Rh03 122.0(14) . . ?
 C02Y C03E C04M 122.2(12) . . ?
 C02Y C03E C04Q 120.8(10) . . ?
 C04Q C03E C04M 116.8(12) . . ?
 C033 C03F C06F 119.9(9) . . ?
 C033 C03F C83 122.5(10) . . ?
 C83 C03F C06F 117.5(11) . . ?
 C04G C03G C08F 122.4(14) . . ?
 O76 C03G C04G 123.5(14) . . ?
 O76 C03G C08F 114.1(14) . . ?
 C01G C03H C068 117.3(13) . . ?
 C03Q C03I Rh01 73.9(8) . . ?
 C03Q C03I C069 107.7(12) . . ?
 C03Q C03I C081 130.1(14) . . ?
 C069 C03I Rh01 70.3(7) . . ?
 C069 C03I C081 122.0(13) . . ?
 C081 C03I Rh01 124.3(10) . . ?
 C062 C03J C040 106.3(10) . . ?
 N015 C03K S00E 118.6(9) . . ?
 C06W C03K S00E 109.7(10) . . ?
 C06W C03K N015 131.8(12) . . ?
 C021 C03L S00G 119.9(9) . . ?
 C08C C03L S00G 109.3(9) . . ?
 C08C C03L C021 130.8(12) . . ?
 O01F C03M C02Z 124.3(13) . . ?
 O01F C03M C07F 114.1(14) . . ?
 C02Z C03M C07F 121.6(14) . . ?
 N018 C03N C03Y 111.8(12) . . ?
 N01L C03O C31 110.5(13) . . ?
 C066 C03P C03B 120.0(11) . . ?
 C02S C03Q Rh01 69.2(8) . . ?
 C02S C03Q C046 128.5(15) . . ?
 C03I C03Q Rh01 67.8(7) . . ?
 C03I C03Q C02S 105.0(12) . . ?
 C03I C03Q C046 126.5(14) . . ?
 C046 C03Q Rh01 125.4(10) . . ?
 C04H C03R C07W 120.1(9) . . ?
 C035 C03S C02P 109.5(15) . . ?
 C06A C03U C04R 120.0(10) . . ?
 C02N C03V C06C 107.1(10) . . ?
 C04B C03W C051 111.2(15) . . ?
 N01J C03X C034 133.6(13) . . ?
 N01J C03X C050 107.4(11) . . ?
 C034 C03X C050 118.9(12) . . ?
 C03N C03Y C07S 107.0(12) . . ?
 N01X C03Z C059 121.3(11) . . ?
 N01X C03Z C06R 129.1(13) . . ?
 C059 C03Z C06R 109.6(10) . . ?
 N01E C040 C03J 106.9(11) . . ?
 C07E O041 Rh08 136.6(13) . . ?
 C07B C042 C06Y 108.7(10) . . ?
 O00X C043 C02Y 123.4(11) . . ?
 O00X C043 C05B 117.4(11) . . ?
 C02Y C043 C05B 119.0(11) . . ?
 C063 C044 C05F 120.1(12) . . ?
 N01E C048 S00F 121.4(10) . . ?
 C07H C048 S00F 111.4(10) . . ?
 C07H C048 N01E 127.2(11) . . ?
 N018 C04A S00I 120.4(10) . . ?
 C08J C04A S00I 112.8(9) . . ?
 C08J C04A N018 126.7(12) . . ?
 N02G C04B S00L 122.5(10) . . ?
 C03W C04B S00L 111.3(12) . . ?
 C03W C04B N02G 126.2(14) . . ?
 C04E C04C Rh02 69.7(8) . . ?
 C04E C04C C0AH 126.7(11) . . ?
 C05T C04C Rh02 71.8(9) . . ?
 C05T C04C C04E 107.9(8) . . ?
 C05T C04C C0AH 125.3(11) . . ?
 C0AH C04C Rh02 122.5(14) . . ?
 C04C C04E Rh02 71.1(9) . . ?
 C04C C04E C06J 105.5(8) . . ?
 C04C C04E C08K 129.1(11) . . ?
 C06J C04E Rh02 72.0(8) . . ?
 C06J C04E C08K 125.1(11) . . ?
 C08K C04E Rh02 125.3(12) . . ?
 C03C C04F Rh03 71.9(9) . . ?
 C03C C04F C06I 106.7(10) . . ?
 C03C C04F C5AA 128.0(12) . . ?
 C06I C04F Rh03 69.6(10) . . ?
 C06I C04F C5AA 125.2(12) . . ?
 C5AA C04F Rh03 124.4(13) . . ?
 C03G C04G C07E 123.3(14) . . ?
 C07X C04G C03G 115.8(13) . . ?
 C07X C04G C07E 120.8(13) . . ?
 C03R C04H N030 120.9(9) . . ?
 C06R C04I N01S 107.6(11) . . ?
 N01Q C04J C03B 122.3(9) . . ?
 N01Q C04J C31 128.5(10) . . ?
 C03B C04J C31 109.2(10) . . ?
 C050 N04L Rh08 120.2(10) . . ?
 C05X N04L Rh08 120.4(9) . . ?
 C05X N04L C050 119.3(11) . . ?
 O01P C04M C02Z 120.0(12) . . ?
 O01P C04M C03E 118.7(13) . . ?
 C02Z C04M C03E 121.2(13) . . ?
 N01Q C04N C066 121.9(10) . . ?
 C04P C04O C06V 120.4(9) . . ?
 C04P C04O C33 117.5(12) . . ?
 C06V C04O C33 122.0(10) . . ?
 C04O C04P C065 118.3(11) . . ?
 C03E C04Q C055 119.6(11) . . ?
 O02X C04R C033 125.7(12) . . ?
 O02X C04R C03U 114.5(13) . . ?
 C03U C04R C033 119.8(11) . . ?
 C05K C04T C07O 112.4(15) . . ?
 C03C C04U Rh03 69.4(9) . . ?
 C03C C04U C106 124.7(12) . . ?
 C05P C04U Rh03 68.8(9) . . ?
 C05P C04U C03C 107.5(13) . . ?
 C05P C04U C106 127.7(12) . . ?
 C106 C04U Rh03 130.1(12) . . ?
 C08I C04V Rh07 131(2) . . ?
 C09U C04V Rh07 70.9(12) . . ?
 C09U C04V C08I 128.0(12) . . ?
 C09U C04V C143 106.7(9) . . ?
 C143 C04V Rh07 67.6(12) . . ?
 C143 C04V C08I 125.1(13) . . ?
 N02G C04W C06B 108.3(9) . . ?
 C07W C04W N02G 131.1(11) . . ?
 C07W C04W C06B 120.6(9) . . ?
 N01S C04X S00G 122.1(10) . . ?
 N01S C04X C02T 127.8(13) . . ?
 C02T C04X S00G 110.0(10) . . ?
 C034 C04Y C05X 119.7(13) . . ?
 C32 O04Z Rh00 133.9(10) . . ?
 C03X C050 C06X 102.3(10) . . ?
 N04L C050 C03X 120.5(12) . . ?
 N04L C050 C06X 137.2(13) . . ?
 C057 C051 C03W 115.1(14) . . ?
 C05A C052 C07F 114.8(14) . . ?
 C06C N053 Rh00 122.6(9) . . ?
 C06C N053 C08U 121.1(10) . . ?
 C08U N053 Rh00 116.3(11) . . ?
 N038 C054 S00M 120.7(13) . . ?
 N038 C054 C0AA 130.9(16) . . ?
 C0AA C054 S00M 107.0(14) . . ?
 C05B C055 C04Q 120.0(12) . . ?
 C06K C056 C059 118.3(13) . . ?
 C051 C057 S00L 110.5(13) . . ?
 C051 C057 C05R 126.8(14) . . ?
 C05R C057 S00L 122.5(13) . . ?
 N01S C059 C056 130.2(13) . . ?
 C03Z C059 N01S 110.4(10) . . ?
 C03Z C059 C056 119.4(12) . . ?
 C052 C05A C031 125.5(13) . . ?
 C055 C05B C043 120.6(12) . . ?
 F058 C05C S00N 107.7(12) . . ?
 F058 C05C F09N 103.9(12) . . ?
 F09N C05C S00N 116.6(13) . . ?
 F92 C05C S00N 109.8(14) . . ?
 F92 C05C F058 111.0(13) . . ?
 F92 C05C F09N 107.7(13) . . ?
 N02F C05D C089 120.6(9) . . ?
 N02H C05F C044 119.2(9) . . ?
 C33 C05G C08B 123.2(12) . . ?
 C45 C05G C08B 117.6(11) . . ?
 C45 C05G C33 119.1(10) . . ?
 C07R C05I Rh04 73.1(11) . . ?
 C07R C05I C09W 126.7(12) . . ?
 C07R C05I C7AA 107.5(13) . . ?
 C09W C05I Rh04 119.2(12) . . ?
 C7AA C05I Rh04 70.0(9) . . ?
 C7AA C05I C09W 125.7(12) . . ?
 C071 C05J Rh04 72.0(11) . . ?
 C071 C05J C0AT 124.7(16) . . ?
 C07R C05J Rh04 72.9(13) . . ?
 C07R C05J C071 108.7(14) . . ?
 C07R C05J C0AT 126.3(17) . . ?
 C0AT C05J Rh04 125.5(16) . . ?
 N01L C05K S00D 121.8(11) . . ?
 C04T C05K S00D 111.3(12) . . ?
 C04T C05K N01L 126.8(13) . . ?
 C0CA C05M C07X 118.6(15) . . ?
 C06N C05N N02G 108.4(12) . . ?
 C06D C05O S00I 129.2(11) . . ?
 C08W C05O S00I 115.2(9) . . ?
 C08W C05O C06D 115.6(11) . . ?
 C04U C05P Rh03 74.1(10) . . ?
 C04U C05P C09Z 124.0(12) . . ?
 C06I C05P Rh03 70.0(10) . . ?
 C06I C05P C04U 108.8(12) . . ?
 C06I C05P C09Z 126.9(13) . . ?
 C09Z C05P Rh03 126.9(16) . . ?
 C06P O05Q Rh00 140.4(13) . . ?
 C057 C05R S00M 122.9(13) . . ?
 C07T C05R S00M 108.9(14) . . ?
 C07T C05R C057 128.2(15) . . ?
 C37 C05S C08B 119.4(13) . . ?
 C04C C05T Rh02 69.6(9) . . ?
 C04C C05T C084 124.4(13) . . ?
 C07D C05T Rh02 72.2(8) . . ?
 C07D C05T C04C 109.6(10) . . ?
 C07D C05T C084 126.0(13) . . ?
 C084 C05T Rh02 125.5(12) . . ?
 C065 C05U C06P 121.8(10) . . ?
 C024 C05V C037 120.7(10) . . ?
 C024 C05V C06S 119.6(9) . . ?
 C06S C05V C037 119.6(11) . . ?
 N04L C05X C04Y 121.7(12) . . ?
 N039 C05Y S00K 116.3(12) . . ?
 C3AA C05Y S00K 110.8(11) . . ?
 C3AA C05Y N039 132.9(15) . . ?
 C078 C05Z C01V 121.4(10) . . ?
 C02U C061 C089 118.8(11) . . ?
 N02F C062 C02U 120.5(9) . . ?
 C03J C062 N02F 129.5(12) . . ?
 C03J C062 C02U 110.0(9) . . ?
 C044 C063 C028 120.6(10) . . ?
 C2BA C064 C06W 114.3(13) . . ?
 C05U C065 C04P 121.4(10) . . ?
 C03P C066 C04N 119.6(11) . . ?
 C02L C068 C03H 110.0(12) . . ?
 C027 C069 Rh01 70.4(8) . . ?
 C027 C069 C03I 108.6(12) . . ?
 C027 C069 C07C 127.2(14) . . ?
 C03I C069 Rh01 69.5(7) . . ?
 C03I C069 C07C 124.2(13) . . ?
 C07C C069 Rh01 124.9(11) . . ?
 C03U C06A C06F 121.8(10) . . ?
 N030 C06B C04W 120.9(9) . . ?
 N030 C06B C06N 131.0(11) . . ?
 C04W C06B C06N 108.1(9) . . ?
 C03V C06C C94 107.1(10) . . ?
 N053 C06C C03V 133.1(11) . . ?
 N053 C06C C94 119.7(9) . . ?
 C05O C06D S00K 129.9(10) . . ?
 C07V C06D S00K 109.1(9) . . ?
 C07V C06D C05O 121.0(12) . . ?
 C06A C06F C03F 119.1(11) . . ?
 C04F C06I Rh03 71.5(9) . . ?
 C04F C06I C5BA 129.0(16) . . ?
 C05P C06I Rh03 72.0(11) . . ?
 C05P C06I C04F 108.3(10) . . ?
 C05P C06I C5BA 122.7(16) . . ?
 C5BA C06I Rh03 120.9(16) . . ?
 C04E C06J Rh02 68.3(8) . . ?
 C04E C06J C07M 123.6(13) . . ?
 C07D C06J Rh02 72.1(8) . . ?
 C07D C06J C04E 109.2(9) . . ?
 C07D C06J C07M 127.0(13) . . ?
 C07M C06J Rh02 121.0(12) . . ?
 C056 C06K C02O 119.5(13) . . ?
 C06U C06L Rh05 70.9(7) . . ?
 C06U C06L C0AD 122.0(11) . . ?
 C072 C06L Rh05 69.3(7) . . ?
 C072 C06L C06U 110.4(10) . . ?
 C072 C06L C0AD 127.5(11) . . ?
 C0AD C06L Rh05 129.3(13) . . ?
 C088 C06M Rh06 74.7(9) . . ?
 C088 C06M C09J 125.2(12) . . ?
 C09J C06M Rh06 122.6(15) . . ?
 C77 C06M Rh06 71.2(12) . . ?
 C77 C06M C088 107.8(11) . . ?
 C77 C06M C09J 126.9(12) . . ?
 C05N C06N C06B 107.4(10) . . ?
 O05Q C06P C05U 121.7(15) . . ?
 O05Q C06P C06V 118.4(14) . . ?
 C05U C06P C06V 119.9(12) . . ?
 C03Z C06R C04I 107.1(10) . . ?
 C078 C06S C05V 119.2(11) . . ?
 C37 C06T C45 119.1(14) . . ?
 C06L C06U Rh05 71.6(7) . . ?
 C06L C06U C077 106.5(8) . . ?
 C06L C06U C51 125.5(12) . . ?
 C077 C06U Rh05 71.0(7) . . ?
 C077 C06U C51 127.7(11) . . ?
 C51 C06U Rh05 126.9(14) . . ?
 C04O C06V C06P 117.7(9) . . ?
 C32 C06V C04O 117.6(10) . . ?
 C32 C06V C06P 124.6(12) . . ?
 C03K C06W C064 112.5(13) . . ?
 C070 C06X C050 111.8(12) . . ?
 C042 C06Y N038 109.3(13) . . ?
 C06X C070 N01J 110.9(13) . . ?
 C05J C071 Rh04 69.8(11) . . ?
 C05J C071 C09M 124.2(12) . . ?
 C09M C071 Rh04 127.8(13) . . ?
 C7AA C071 Rh04 68.9(10) . . ?
 C7AA C071 C05J 109.2(11) . . ?
 C7AA C071 C09M 126.6(12) . . ?
 C06L C072 Rh05 73.5(7) . . ?
 C06L C072 C09H 108.2(9) . . ?
 C06L C072 C67 126.0(11) . . ?
 C09H C072 Rh05 70.9(7) . . ?
 C09H C072 C67 125.4(11) . . ?
 C67 C072 Rh05 126.5(12) . . ?
 C08U C073 C08R 119.8(10) . . ?
 C87 C074 N085 120.9(10) . . ?
 C08L C075 Rh06 74.9(12) . . ?
 C08L C075 C0BA 122.3(13) . . ?
 C77 C075 Rh06 73.2(12) . . ?
 C77 C075 C08L 107.9(11) . . ?
 C77 C075 C0BA 129.5(12) . . ?
 C0BA C075 Rh06 122.5(16) . . ?
 N025 C076 C71 120.3(10) . . ?
 C06U C077 Rh05 70.8(7) . . ?
 C06U C077 C09H 107.2(9) . . ?
 C06U C077 C93 127.2(11) . . ?
 C09H C077 Rh05 68.9(7) . . ?
 C09H C077 C93 125.3(11) . . ?
 C93 C077 Rh05 120.6(14) . . ?
 C05Z C078 C06S 121.7(10) . . ?
 C0AI C07A Rh08 125.4(19) . . ?
 C4AA C07A Rh08 68.9(14) . . ?
 C4AA C07A C0AI 127.7(12) . . ?
 C4AA C07A C8AA 106.0(9) . . ?
 C8AA C07A Rh08 70.9(11) . . ?
 C8AA C07A C0AI 126.3(12) . . ?
 N025 C07B C042 133.0(13) . . ?
 N025 C07B C54 120.6(9) . . ?
 C042 C07B C54 106.3(9) . . ?
 C05T C07D Rh02 70.4(8) . . ?
 C05T C07D C06J 107.7(8) . . ?
 C05T C07D C087 123.5(13) . . ?
 C06J C07D Rh02 70.4(8) . . ?
 C06J C07D C087 128.7(14) . . ?
 C087 C07D Rh02 127.0(10) . . ?
 O041 C07E C04G 117.0(15) . . ?
 O041 C07E C73 123.5(15) . . ?
 C73 C07E C04G 119.3(13) . . ?
 C052 C07F C03M 121.0(15) . . ?
 C048 C07H C02V 111.7(13) . . ?
 C0A0 C07I Rh00 69.8(7) . . ?
 C0A0 C07I C0AJ 122.7(11) . . ?
 C0AJ C07I Rh00 119.4(14) . . ?
 C0B3 C07I Rh00 70.9(7) . . ?
 C0B3 C07I C0A0 105.2(9) . . ?
 C0B3 C07I C0AJ 131.9(13) . . ?
 C092 C07J C73 121.2(16) . . ?
 C9AA C07J C092 121.0(16) . . ?
 C9AA C07J C73 117.8(13) . . ?
 C125 C07K Rh08 66.7(11) . . ?
 C125 C07K C96 123.5(12) . . ?
 C8AA C07K Rh08 73.3(12) . . ?
 C8AA C07K C125 107.1(9) . . ?
 C8AA C07K C96 129.0(12) . . ?
 C96 C07K Rh08 119.3(16) . . ?
 C02E C07O C04T 115.7(14) . . ?
 C05I C07R Rh04 68.3(10) . . ?
 C05I C07R C08S 125.2(13) . . ?
 C05J C07R Rh04 69.8(13) . . ?
 C05J C07R C05I 108.2(16) . . ?
 C05J C07R C08S 126.0(14) . . ?
 C08S C07R Rh04 120.9(14) . . ?
 N02H C07S C028 120.3(11) . . ?
 N02H C07S C03Y 135.1(14) . . ?
 C03Y C07S C028 104.5(11) . . ?
 C05R C07T C0AA 112.8(18) . . ?
 C06D C07V C3AA 112.8(10) . . ?
 C04W C07W C03R 118.1(10) . . ?
 C04G C07X C9AA 117.3(12) . . ?
 C05M C07X C04G 123.5(14) . . ?
 C05M C07X C9AA 118.5(14) . . ?
 N085 C082 C08X 119.0(8) . . ?
 C097 C082 N085 131.4(12) . . ?
 C097 C082 C08X 109.3(10) . . ?
 C074 N085 Rh0A 113.5(12) . . ?
 C082 N085 C074 119.6(10) . . ?
 C082 N085 Rh0A 126.8(11) . . ?
 C06M C088 Rh06 67.7(10) . . ?
 C06M C088 C218 125.2(12) . . ?
 C08L C088 Rh06 71.0(11) . . ?
 C08L C088 C06M 109.0(10) . . ?
 C08L C088 C218 125.8(12) . . ?
 C218 C088 Rh06 126.7(6) . . ?
 C05D C089 C061 120.1(10) . . ?
 O01D C08B C05G 121.2(12) . . ?
 O01D C08B C05S 119.4(12) . . ?
 C05S C08B C05G 119.4(13) . . ?
 C03L C08C C02T 114.5(10) . . ?
 C0CA C08F C03G 116.1(14) . . ?
 C04A C08J C08W 108.8(10) . . ?
 C075 C08L Rh06 65.9(11) . . ?
 C075 C08L C141 124.2(12) . . ?
 C088 C08L Rh06 72.7(10) . . ?
 C088 C08L C075 106.9(11) . . ?
 C088 C08L C141 128.7(13) . . ?
 C141 C08L Rh06 129.5(19) . . ?
 C94 C08R C073 119.0(10) . . ?
 N053 C08U C073 119.6(12) . . ?
 C05O C08W C08J 111.2(10) . . ?
 N039 C08X C082 104.4(14) . . ?
 N039 C08X C6BA 135.1(16) . . ?
 C6BA C08X C082 120.4(10) . . ?
 C88 C092 C07J 118.0(11) . . ?
 O55 C092 C07J 124.9(18) . . ?
 O55 C092 C88 115.8(16) . . ?
 C0A0 C093 Rh00 71.0(8) . . ?
 C0A0 C093 C0AO 126.0(13) . . ?
 C0A0 C093 C1AA 110.2(11) . . ?
 C0AO C093 Rh00 134.1(18) . . ?
 C1AA C093 Rh00 70.4(7) . . ?
 C1AA C093 C0AO 122.9(12) . . ?
 C90 C094 Rh0A 110.9(14) . . ?
 C90 C094 Rh6 128.7(14) . . ?
 C247 C094 C90 126.5(13) . . ?
 C247 C094 Rh0A 64.3(5) . . ?
 C247 C094 Rh6 77.1(7) . . ?
 Rh6 C094 Rh0A 31.9(3) . . ?
 C180 C094 C90 124.3(11) . . ?
 C180 C094 Rh0A 96.4(10) . . ?
 C180 C094 C247 109.0(11) . . ?
 C180 C094 Rh6 64.5(9) . . ?
 C082 C097 C2AA 108.3(10) . . ?
 C072 C09H Rh05 70.7(7) . . ?
 C072 C09H C077 107.4(10) . . ?
 C072 C09H C103 126.1(11) . . ?
 C077 C09H Rh05 72.1(7) . . ?
 C077 C09H C103 126.4(12) . . ?
 C103 C09H Rh05 121.6(12) . . ?
 C04V C09U Rh07 71.1(13) . . ?
 C04V C09U C61 125.1(12) . . ?
 C0AB C09U Rh07 70.9(12) . . ?
 C0AB C09U C04V 108.8(10) . . ?
 C0AB C09U C61 126.1(13) . . ?
 C61 C09U Rh07 124.3(17) . . ?
 C07I C0A0 Rh00 69.8(7) . . ?
 C07I C0A0 C150 121.1(12) . . ?
 C093 C0A0 Rh00 71.9(8) . . ?
 C093 C0A0 C07I 106.7(9) . . ?
 C093 C0A0 C150 130.5(14) . . ?
 C150 C0A0 Rh00 111.3(16) . . ?
 C09U C0AB Rh07 72.1(12) . . ?
 C09U C0AB C1BA 108.9(11) . . ?
 C09U C0AB C6AA 125.7(13) . . ?
 C1BA C0AB Rh07 70.4(12) . . ?
 C1BA C0AB C6AA 125.3(12) . . ?
 C6AA C0AB Rh07 126.1(16) . . ?
 C07I C0B3 Rh00 71.3(7) . . ?
 C07I C0B3 C70 123.5(13) . . ?
 C1AA C0B3 Rh00 71.6(8) . . ?
 C1AA C0B3 C07I 111.7(11) . . ?
 C1AA C0B3 C70 124.7(12) . . ?
 C70 C0B3 Rh00 122.6(14) . . ?
 C02E C2BA S00E 121.1(8) . . ?
 C064 C2BA S00E 111.5(10) . . ?
 C064 C2BA C02E 127.4(12) . . ?
 C014 C22 C02R 113.9(10) . . ?
 C71 C25 C54 120.1(12) . . ?
 C03O C31 C04J 104.0(12) . . ?
 O04Z C32 C06V 121.1(13) . . ?
 O04Z C32 C45 117.1(13) . . ?
 C06V C32 C45 121.8(12) . . ?
 O013 C33 C04O 123.5(12) . . ?
 O013 C33 C05G 117.4(12) . . ?
 C05G C33 C04O 119.1(11) . . ?
 C05S C37 C06T 123.2(14) . . ?
 C05G C45 C06T 121.2(12) . . ?
 C05G C45 C32 120.0(11) . . ?
 C06T C45 C32 118.7(13) . . ?
 N038 C54 C07B 108.7(11) . . ?
 N038 C54 C25 133.1(13) . . ?
 C25 C54 C07B 118.2(10) . . ?
 C9AA O65 Rh0A 127.7(13) . . ?
 C9AA O65 Rh6 142.9(13) . . ?
 Rh6 O65 Rh0A 29.1(3) . . ?
 C25 C71 C076 121.1(11) . . ?
 C07E C73 C07J 121.4(13) . . ?
 C07E C73 C127 119.5(13) . . ?
 C127 C73 C07J 119.0(11) . . ?
 C03G O76 Rh08 124.7(11) . . ?
 C06M C77 Rh06 70.4(11) . . ?
 C06M C77 C164 125.5(13) . . ?
 C075 C77 Rh06 68.4(12) . . ?
 C075 C77 C06M 107.8(11) . . ?
 C075 C77 C164 126.7(12) . . ?
 C164 C77 Rh06 125.2(18) . . ?
 O01A C83 C024 117.9(12) . . ?
 O01A C83 C03F 124.4(12) . . ?
 C03F C83 C024 117.6(11) . . ?
 C074 C87 C6BA 119.4(9) . . ?
 C092 C88 C1CA 120.4(13) . . ?
 N015 C94 C06C 106.5(11) . . ?
 C08R C94 N015 133.1(13) . . ?
 C08R C94 C06C 120.4(11) . . ?
 C05Y C3AA C07V 112.0(11) . . ?
 C054 C0AA C07T 114.2(19) . . ?
 N039 C2AA C097 103.9(13) . . ?
 C08X C6BA C87 120.1(10) . . ?
 C07A C4AA Rh08 73.8(14) . . ?
 C07A C4AA C105 122.7(12) . . ?
 C105 C4AA Rh08 126.7(18) . . ?
 C125 C4AA Rh08 68.1(13) . . ?
 C125 C4AA C07A 110.0(10) . . ?
 C125 C4AA C105 127.3(13) . . ?
 C05I C7AA Rh04 69.9(9) . . ?
 C05I C7AA C0A8 126.0(11) . . ?
 C071 C7AA Rh04 72.8(10) . . ?
 C071 C7AA C05I 106.1(10) . . ?
 C071 C7AA C0A8 127.9(12) . . ?
 C0A8 C7AA Rh04 121.1(14) . . ?
 C07J C9AA C07X 121.4(13) . . ?
 O65 C9AA C07J 119.3(16) . . ?
 O65 C9AA C07X 116.6(16) . . ?
 N085 Rh0A C094 162.9(7) . . ?
 N085 Rh0A O65 86.2(6) . . ?
 N085 Rh0A C3BA 108.6(7) . . ?
 N085 Rh0A C247 126.0(7) . . ?
 C094 Rh0A O65 105.4(7) . . ?
 C094 Rh0A C3BA 59.2(5) . . ?
 C3BA Rh0A O65 93.3(6) . . ?
 C247 Rh0A C094 37.0(4) . . ?
 C247 Rh0A O65 123.8(6) . . ?
 C247 Rh0A C3BA 37.4(4) . . ?
 O55 Rh0A N085 94.9(8) . . ?
 O55 Rh0A C094 99.4(7) . . ?
 O55 Rh0A O65 79.2(5) . . ?
 O55 Rh0A C3BA 154.9(8) . . ?
 O55 Rh0A C247 131.0(7) . . ?
 Rh6 Rh0A N085 122.2(6) . . ?
 Rh6 Rh0A C094 63.3(6) . . ?
 Rh6 Rh0A O65 45.8(4) . . ?
 Rh6 Rh0A C3BA 57.2(5) . . ?
 Rh6 Rh0A C247 78.8(5) . . ?
 Rh6 Rh0A O55 103.0(7) . . ?
 C0AB C1BA Rh07 71.8(12) . . ?
 C0AB C1BA C0B2 124.0(12) . . ?
 C0AB C1BA C143 109.4(9) . . ?
 C0B2 C1BA Rh07 123.1(17) . . ?
 C143 C1BA Rh07 69.6(8) . . ?
 C143 C1BA C0B2 126.5(12) . . ?
 C05M C0CA C08F 123.3(15) . . ?
 C230 C3BA Rh0A 124.6(13) . . ?
 C230 C3BA Rh6 139.1(14) . . ?
 C247 C3BA Rh0A 64.1(6) . . ?
 C247 C3BA C230 122.9(12) . . ?
 C247 C3BA Rh6 81.4(7) . . ?
 C247 C3BA C8BA 107.4(9) . . ?
 Rh6 C3BA Rh0A 32.1(3) . . ?
 C8BA C3BA Rh0A 99.5(11) . . ?
 C8BA C3BA C230 122.9(12) . . ?
 C8BA C3BA Rh6 68.3(11) . . ?
 C094 C247 C096 128.4(12) . . ?
 C094 C247 Rh0A 78.7(6) . . ?
 C094 C247 C3BA 106.4(9) . . ?
 C094 C247 Rh6 64.7(6) . . ?
 C096 C247 Rh0A 99.4(10) . . ?
 C096 C247 Rh6 131.7(9) . . ?
 Rh0A C247 Rh6 32.6(2) . . ?
 C3BA C247 C096 123.9(11) . . ?
 C3BA C247 Rh0A 78.5(7) . . ?
 C3BA C247 Rh6 59.3(6) . . ?
 C1CA C127 C73 119.9(13) . . ?
 C093 C1AA Rh00 71.0(7) . . ?
 C093 C1AA C97 124.1(13) . . ?
 C0B3 C1AA Rh00 71.0(7) . . ?
 C0B3 C1AA C093 106.2(9) . . ?
 C0B3 C1AA C97 129.7(13) . . ?
 C97 C1AA Rh00 122.9(15) . . ?
 C07K C125 Rh08 74.1(12) . . ?
 C07K C125 C86 120.4(11) . . ?
 C86 C125 Rh08 126.8(17) . . ?
 C4AA C125 Rh08 74.7(14) . . ?
 C4AA C125 C07K 108.6(11) . . ?
 C4AA C125 C86 129.8(13) . . ?
 C04V C143 Rh07 72.6(13) . . ?
 C04V C143 C128 124.9(13) . . ?
 C1BA C143 Rh07 72.0(8) . . ?
 C1BA C143 C04V 106.0(11) . . ?
 C1BA C143 C128 129.1(13) . . ?
 C128 C143 Rh07 120.5(19) . . ?
 F8AA C4BA F15 108.0(14) . . ?
 F8AA C4BA S48 112.7(15) . . ?
 F15 C4BA S48 108.5(13) . . ?
 F30 C4BA F8AA 109.5(15) . . ?
 F30 C4BA F15 108.1(15) . . ?
 F30 C4BA S48 109.8(16) . . ?
 C07A C8AA Rh08 71.2(12) . . ?
 C07A C8AA C7BA 117.1(14) . . ?
 C07K C8AA Rh08 69.9(12) . . ?
 C07K C8AA C07A 108.1(11) . . ?
 C07K C8AA C7BA 134.5(14) . . ?
 C7BA C8AA Rh08 119.8(13) . . ?
 C092 O55 Rh0A 142.8(15) . . ?
 C092 O55 Rh6 114.0(14) . . ?
 Rh0A O55 Rh6 30.9(3) . . ?
 F04K C7 F25 104.6(15) . . ?
 F04K C7 S0AA 120.5(18) . . ?
 F25 C7 S0AA 108.5(14) . . ?
 F56 C7 F04K 109.0(15) . . ?
 F56 C7 F25 107.1(17) . . ?
 F56 C7 S0AA 106.5(14) . . ?
 O060 S0AA C7 101.8(11) . . ?
 O9 S0AA O060 118.4(12) . . ?
 O9 S0AA C7 99.3(13) . . ?
 O9 S0AA O19 115.5(12) . . ?
 O19 S0AA O060 112.4(12) . . ?
 O19 S0AA C7 106.6(10) . . ?
 O45 S48 C4BA 103.2(12) . . ?
 O45 S48 O136 116.5(11) . . ?
 O45 S48 O18 114.5(11) . . ?
 O136 S48 C4BA 102.5(12) . . ?
 O136 S48 O18 112.8(10) . . ?
 O18 S48 C4BA 105.4(13) . . ?
 C094 Rh6 C247 38.2(4) . . ?
 C094 Rh6 O55 89.3(7) . . ?
 O65 Rh6 C094 153.3(7) . . ?
 O65 Rh6 C3BA 134.0(7) . . ?
 O65 Rh6 C247 168.2(7) . . ?
 O65 Rh6 O55 80.7(5) . . ?
 O65 Rh6 C8BA 115.6(8) . . ?
 O65 Rh6 C180 123.6(8) . . ?
 Rh0A Rh6 C094 84.8(6) . . ?
 Rh0A Rh6 O65 105.0(6) . . ?
 Rh0A Rh6 C3BA 90.8(6) . . ?
 Rh0A Rh6 C247 68.6(5) . . ?
 Rh0A Rh6 O55 46.1(5) . . ?
 Rh0A Rh6 C8BA 132.8(7) . . ?
 Rh0A Rh6 C180 125.9(7) . . ?
 C3BA Rh6 C094 69.2(6) . . ?
 C3BA Rh6 C247 39.3(4) . . ?
 C3BA Rh6 O55 134.3(7) . . ?
 C3BA Rh6 C8BA 43.6(6) . . ?
 C247 Rh6 O55 100.2(6) . . ?
 C8BA Rh6 C094 69.9(7) . . ?
 C8BA Rh6 C247 66.9(6) . . ?
 C8BA Rh6 O55 158.6(7) . . ?
 C180 Rh6 C094 41.2(5) . . ?
 C180 Rh6 C3BA 72.8(6) . . ?
 C180 Rh6 C247 66.6(5) . . ?
 C180 Rh6 O55 116.6(7) . . ?
 C180 Rh6 C8BA 43.3(6) . . ?
 C127 C1CA C88 120.1(19) . . ?
 C3BA C8BA Rh6 68.1(10) . . ?
 C3BA C8BA C115 127.3(14) . . ?
 C180 C8BA C3BA 106.4(11) . . ?
 C180 C8BA Rh6 68.2(8) . . ?
 C180 C8BA C115 126.2(13) . . ?
 C115 C8BA Rh6 125.7(16) . . ?
 C094 C180 C130 127.2(13) . . ?
 C094 C180 Rh6 74.4(9) . . ?
 C094 C180 C8BA 107.8(9) . . ?
 C130 C180 Rh6 121.4(7) . . ?
 C8BA C180 C130 125.0(13) . . ?
 C8BA C180 Rh6 68.5(8) . . ?
 O7 S1AA C75 102.0(10) . . ?
 O12 S1AA O7 107.5(10) . . ?
 O12 S1AA O14 115.5(13) . . ?
 O12 S1AA C75 110.9(11) . . ?
 O14 S1AA O7 117.6(13) . . ?
 O14 S1AA C75 102.3(12) . . ?
 O5 S1 C59 106.0(8) . . ?
 O5 S1 O0AA 116.9(13) . . ?
 O16 S1 O5 112.7(12) . . ?
 O16 S1 C59 106.6(10) . . ?
 O16 S1 O0AA 111.6(15) . . ?
 O0AA S1 C59 101.7(9) . . ?
 F6 C59 S1 105.9(12) . . ?
 F6 C59 F38 110.6(13) . . ?
 F6 C59 F46 114.9(14) . . ?
 F38 C59 S1 111.7(17) . . ?
 F46 C59 S1 101.2(12) . . ?
 F46 C59 F38 112.0(14) . . ?
 F10 C75 S1AA 113.0(16) . . ?
 F10 C75 F0AA 109.3(15) . . ?
 F10 C75 F23 110.5(15) . . ?
 F0AA C75 S1AA 106.0(15) . . ?
 F23 C75 S1AA 103.6(16) . . ?
 F23 C75 F0AA 114.3(16) . . ?

_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 -0.712 0.003 -0.668 6686.8 1924.0 ?
 2 0.500 0.500 0.000 102.9 16.5 ?

_olex2_submission_special_instructions  'No special instructions were received'
# start Validation Reply Form
_vrf_THETM01_ga_251231m_1_a
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: This is due to the weak diffraction of the crystal.
;
_vrf_PLAT084_ga_251231m_1_a
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.46 Report
RESPONSE: This is due to the weak diffraction of the crystal.
;
_vrf_PLAT342_ga_251231m_1_a
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02197 Ang.  
RESPONSE: The crystal quality is poor.
;
# end Validation Reply Form
