# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_6

# start Validation Reply Form
_vrf_PLAT431_6                   
;
PROBLEM: Short Inter HL..A  Contact F41    ..  O1      ..       2.36 Ang.  
RESPONSE: Genuine distance.
;
_vrf_PLAT601_6                   
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        530 Ang3  
RESPONSE: No more discrete solvent observed.
;


_chemical_formula_sum            'C35 H48.67 F N2 O0.33 Rh'
_chemical_formula_moiety         'C35 H48.67 F N2 O0.33 Rh'
_chemical_formula_weight         624.64
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2+X,1/2-Y,-Z
3 -X,1/2+Y,1/2-Z
4 1/2-X,-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   13.3131(11)
_cell_length_b                   20.0341(17)
_cell_length_c                   38.159(3)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     10177.5(15)
_cell_formula_units_Z            12
_cell_measurement_reflns_used    15556
_cell_measurement_theta_min      1.84
_cell_measurement_theta_max      25.35
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3951.72
_exptl_absorpt_coefficient_mu    0.532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_T_max  0.995

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.811
_diffrn_reflns_number            132416
_diffrn_reflns_av_R_equivalents  0.0929
_diffrn_reflns_theta_min         1.474
_diffrn_reflns_theta_max         25.294
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       45
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             18423
_reflns_number_gt                16439
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0536
_refine_ls_wR_factor_ref         0.1592
_refine_ls_wR_factor_gt          0.1490
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         18423
_refine_ls_number_parameters     1087
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0828P)²+21.8787P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         1.66
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 6892 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.034(12)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.35761(5) 0.51185(3) 0.34520(2) 0.02523(16) Uani 1 4 d . . .
Rh41 Rh 0.13445(5) 0.15241(4) 0.23681(2) 0.02848(18) Uani 1 4 d . . .
Rh81 Rh 0.33789(4) 0.52405(3) 0.06744(2) 0.02609(17) Uani 1 4 d . . .
F1 F 0.2952(4) 0.4198(3) 0.34880(14) 0.0319(11) Uani 1 4 d . . .
F41 F 0.1903(4) 0.2179(3) 0.19905(16) 0.0411(14) Uani 1 4 d . . .
F81 F 0.2584(4) 0.4750(3) 0.02995(13) 0.0341(12) Uani 1 4 d . . .
O1 O 0.1924(5) 0.1998(4) 0.13806(18) 0.0408(17) Uani 1 4 d . . .
N2 N 0.4557(5) 0.4895(4) 0.41794(18) 0.0267(16) Uani 1 4 d . . .
N5 N 0.3033(5) 0.5230(4) 0.42245(18) 0.0249(15) Uani 1 4 d . . .
N42 N 0.0625(5) 0.2823(4) 0.2727(2) 0.0276(17) Uani 1 4 d . . .
N45 N 0.2155(5) 0.2617(4) 0.28504(19) 0.0258(16) Uani 1 4 d . . .
N82 N 0.4245(5) 0.3894(4) 0.09513(19) 0.0248(16) Uani 1 4 d . . .
N85 N 0.2703(5) 0.4039(4) 0.10903(19) 0.0240(15) Uani 1 4 d . . .
C1 C 0.3764(6) 0.5120(4) 0.3984(2) 0.0240(17) Uani 1 4 d . . .
C3 C 0.4310(6) 0.4859(5) 0.4532(2) 0.032(2) Uani 1 4 d . . .
C4 C 0.3356(7) 0.5078(5) 0.4566(2) 0.0316(19) Uani 1 4 d . . .
C6 C 0.5572(6) 0.4834(5) 0.4036(2) 0.0297(19) Uani 1 4 d . . .
C7 C 0.5802(7) 0.4286(5) 0.3829(3) 0.033(2) Uani 1 4 d . . .
C8 C 0.6744(7) 0.4278(5) 0.3671(3) 0.038(2) Uani 1 4 d . . .
C9 C 0.7427(7) 0.4807(6) 0.3724(3) 0.045(3) Uani 1 4 d . . .
C10 C 0.7179(7) 0.5326(5) 0.3937(3) 0.040(2) Uani 1 4 d . . .
C11 C 0.6245(7) 0.5356(5) 0.4106(2) 0.032(2) Uani 1 4 d . . .
C12 C 0.5090(7) 0.3704(5) 0.3794(3) 0.035(2) Uani 1 4 d . . .
C13 C 0.5221(9) 0.3231(6) 0.4103(4) 0.057(3) Uani 1 4 d . . .
C14 C 0.5199(9) 0.3327(7) 0.3446(4) 0.058(3) Uani 1 4 d . . .
C15 C 0.6004(7) 0.5951(5) 0.4339(3) 0.039(2) Uani 1 4 d . . .
C16 C 0.6722(8) 0.5981(6) 0.4655(3) 0.051(3) Uani 1 4 d . . .
C17 C 0.6014(9) 0.6602(6) 0.4141(4) 0.054(3) Uani 1 4 d . . .
C18 C 0.2096(6) 0.5564(5) 0.4143(2) 0.0257(19) Uani 1 4 d . . .
C19 C 0.2048(6) 0.6254(5) 0.4179(2) 0.0281(19) Uani 1 4 d . . .
C20 C 0.1144(6) 0.6571(5) 0.4093(2) 0.030(2) Uani 1 4 d . . .
C21 C 0.0328(6) 0.6202(5) 0.3979(2) 0.032(2) Uani 1 4 d . . .
C22 C 0.0389(7) 0.5521(5) 0.3956(2) 0.031(2) Uani 1 4 d . . .
C23 C 0.1275(6) 0.5177(5) 0.4038(2) 0.0279(18) Uani 1 4 d . . .
C24 C 0.2913(6) 0.6669(5) 0.4330(3) 0.032(2) Uani 1 4 d . . .
C25 C 0.2751(7) 0.6787(6) 0.4725(3) 0.040(2) Uani 1 4 d . . .
C26 C 0.3075(8) 0.7333(5) 0.4134(3) 0.043(2) Uani 1 4 d . . .
C27 C 0.1304(7) 0.4423(5) 0.4028(2) 0.033(2) Uani 1 4 d . . .
C28 C 0.0875(14) 0.4144(6) 0.4363(3) 0.079(5) Uani 1 4 d . . .
C29 C 0.0760(7) 0.4141(6) 0.3720(3) 0.040(2) Uani 1 4 d . . .
C31 C 0.4737(7) 0.5779(5) 0.3323(3) 0.030(2) Uani 1 4 d . . .
C32 C 0.3883(7) 0.6149(4) 0.3413(3) 0.031(2) Uani 1 4 d . . .
C33 C 0.3175(7) 0.6477(5) 0.3154(3) 0.039(2) Uani 1 4 d . . .
C34 C 0.2699(16) 0.6042(7) 0.2903(5) 0.114(9) Uani 1 4 d . . .
C35 C 0.2784(9) 0.5319(6) 0.2967(3) 0.048(3) Uani 1 4 d . . .
C36 C 0.3589(8) 0.4940(6) 0.2891(2) 0.046(3) Uani 1 4 d . . .
C37 C 0.4547(16) 0.5215(12) 0.2745(4) 0.142(11) Uani 1 4 d . . .
C38 C 0.5111(7) 0.5660(6) 0.2959(3) 0.043(3) Uani 1 4 d . . .
C41 C 0.1329(6) 0.2342(4) 0.2697(2) 0.0236(17) Uani 1 4 d . . .
C43 C 0.1002(6) 0.3384(5) 0.2888(2) 0.029(2) Uani 1 4 d . . .
C44 C 0.1973(6) 0.3252(5) 0.2969(2) 0.029(2) Uani 1 4 d . . .
C46 C -0.0454(6) 0.2736(5) 0.2672(3) 0.029(2) Uani 1 4 d . . .
C47 C -0.0848(6) 0.2807(4) 0.2339(3) 0.028(2) Uani 1 4 d . . .
C48 C -0.1892(7) 0.2750(5) 0.2301(3) 0.037(2) Uani 1 4 d . . .
C49 C -0.2486(7) 0.2622(6) 0.2589(3) 0.041(2) Uani 1 4 d . . .
C50 C -0.2082(7) 0.2556(6) 0.2914(3) 0.040(2) Uani 1 4 d . . .
C51 C -0.1041(6) 0.2620(5) 0.2971(3) 0.030(2) Uani 1 4 d . . .
C52 C -0.0215(7) 0.2960(5) 0.2013(3) 0.035(2) Uani 1 4 d . . .
C53 C -0.0393(8) 0.3657(6) 0.1880(3) 0.046(3) Uani 1 4 d . . .
C54 C -0.0408(8) 0.2446(6) 0.1722(3) 0.047(3) Uani 1 4 d . . .
C55 C -0.0625(7) 0.2553(5) 0.3337(3) 0.034(2) Uani 1 4 d . . .
C56 C -0.1243(8) 0.2946(5) 0.3609(3) 0.040(2) Uani 1 4 d . . .
C57 C -0.0540(7) 0.1834(5) 0.3446(3) 0.038(2) Uani 1 4 d . . .
C58 C 0.3082(6) 0.2261(5) 0.2924(3) 0.0274(19) Uani 1 4 d . . .
C59 C 0.3166(6) 0.1919(5) 0.3241(2) 0.0275(19) Uani 1 4 d . . .
C60 C 0.4063(6) 0.1583(5) 0.3307(3) 0.031(2) Uani 1 4 d . . .
C61 C 0.4837(7) 0.1590(5) 0.3064(3) 0.034(2) Uani 1 4 d . . .
C62 C 0.4744(7) 0.1945(5) 0.2755(3) 0.032(2) Uani 1 4 d . . .
C63 C 0.3867(6) 0.2294(5) 0.2676(2) 0.0279(19) Uani 1 4 d . . .
C64 C 0.2353(6) 0.1941(5) 0.3521(2) 0.032(2) Uani 1 4 d . . .
C65 C 0.2562(8) 0.2501(6) 0.3783(3) 0.039(2) Uani 1 4 d . . .
C66 C 0.2228(8) 0.1282(6) 0.3711(3) 0.040(2) Uani 1 4 d . . .
C67 C 0.3824(6) 0.2745(5) 0.2357(3) 0.035(2) Uani 1 4 d . . .
C68 C 0.4460(7) 0.3368(5) 0.2433(3) 0.039(2) Uani 1 4 d . . .
C69 C 0.4179(8) 0.2399(6) 0.2020(3) 0.041(2) Uani 1 4 d . . .
C71 C 0.0338(7) 0.0895(5) 0.2638(3) 0.0304(19) Uani 1 4 d . . .
C72 C 0.1307(8) 0.0859(5) 0.2788(3) 0.036(2) Uani 1 4 d . . .
C73 C 0.2049(8) 0.0305(6) 0.2727(3) 0.053(3) Uani 1 4 d . . .
C74 C 0.2122(8) 0.0086(6) 0.2345(4) 0.058(3) Uani 1 4 d . . .
C75 C 0.1958(8) 0.0654(5) 0.2094(3) 0.047(3) Uani 1 4 d . . .
C76 C 0.1055(8) 0.0815(6) 0.1944(3) 0.045(3) Uani 1 4 d . . .
C77 C 0.0075(9) 0.0454(6) 0.2026(3) 0.050(3) Uani 1 4 d . . .
C78 C -0.0117(7) 0.0349(5) 0.2413(3) 0.036(2) Uani 1 4 d . . .
C81 C 0.3498(6) 0.4359(4) 0.0936(2) 0.0253(17) Uani 1 4 d . . .
C83 C 0.3920(6) 0.3301(5) 0.1102(2) 0.029(2) Uani 1 4 d . . .
C84 C 0.2944(6) 0.3394(5) 0.1191(2) 0.0276(19) Uani 1 4 d . . .
C86 C 0.5276(6) 0.4017(4) 0.0851(2) 0.0246(18) Uani 1 4 d . . .
C87 C 0.5520(6) 0.4047(5) 0.0498(2) 0.029(2) Uani 1 4 d . . .
C88 C 0.6522(7) 0.4203(6) 0.0413(3) 0.039(2) Uani 1 4 d . . .
C89 C 0.7217(7) 0.4319(6) 0.0670(3) 0.045(3) Uani 1 4 d . . .
C90 C 0.6954(7) 0.4274(6) 0.1016(3) 0.037(2) Uani 1 4 d . . .
C91 C 0.5981(6) 0.4122(5) 0.1117(2) 0.029(2) Uani 1 4 d . . .
C92 C 0.4788(7) 0.3888(5) 0.0203(3) 0.033(2) Uani 1 4 d . . .
C93 C 0.5045(8) 0.3209(6) 0.0045(3) 0.043(3) Uani 1 4 d . . .
C94 C 0.4770(8) 0.4430(6) -0.0077(3) 0.041(2) Uani 1 4 d . . .
C95 C 0.5716(6) 0.4078(5) 0.1504(3) 0.031(2) Uani 1 4 d . . .
C96 C 0.6386(8) 0.3577(6) 0.1693(3) 0.050(3) Uani 1 4 d . . .
C97 C 0.5755(10) 0.4759(6) 0.1682(3) 0.052(3) Uani 1 4 d . . .
C98 C 0.1757(6) 0.4364(4) 0.1173(2) 0.0264(18) Uani 1 4 d . . .
C99 C 0.1699(6) 0.4734(4) 0.1479(2) 0.0270(18) Uani 1 4 d . . .
C100 C 0.0790(6) 0.5067(5) 0.1546(3) 0.032(2) Uani 1 4 d . . .
C101 C 0.0006(7) 0.5028(5) 0.1315(3) 0.039(2) Uani 1 4 d . . .
C102 C 0.0063(7) 0.4644(6) 0.1023(3) 0.041(3) Uani 1 4 d . . .
C103 C 0.0945(6) 0.4289(5) 0.0938(3) 0.031(2) Uani 1 4 d . . .
C104 C 0.2517(6) 0.4730(5) 0.1761(2) 0.033(2) Uani 1 4 d . . .
C105 C 0.2293(7) 0.4186(5) 0.2031(3) 0.037(2) Uani 1 4 d . . .
C106 C 0.2662(8) 0.5408(6) 0.1943(3) 0.041(3) Uani 1 4 d . . .
C107 C 0.0983(7) 0.3835(6) 0.0627(3) 0.040(2) Uani 1 4 d . . .
C108 C 0.0568(9) 0.3143(6) 0.0730(3) 0.053(3) Uani 1 4 d . . .
C109 C 0.0406(8) 0.4126(7) 0.0310(3) 0.053(3) Uani 1 4 d . . .
C111 C 0.4666(7) 0.5678(5) 0.0882(3) 0.033(2) Uani 1 4 d . . .
C112 C 0.3841(7) 0.5841(5) 0.1095(2) 0.031(2) Uani 1 4 d . . .
C113 C 0.3347(9) 0.6525(5) 0.1100(3) 0.045(3) Uani 1 4 d . . .
C114 C 0.2463(10) 0.6557(6) 0.0846(3) 0.052(3) Uani 1 4 d . . .
C115 C 0.2602(9) 0.6136(6) 0.0523(3) 0.044(3) Uani 1 4 d . . .
C116 C 0.3464(8) 0.6106(5) 0.0325(3) 0.038(2) Uani 1 4 d . . .
C117 C 0.4386(9) 0.6512(6) 0.0390(3) 0.049(3) Uani 1 4 d . . .
C118 C 0.5141(8) 0.6137(6) 0.0616(3) 0.043(2) Uani 1 4 d . . .
H3 H 0.47338 0.47085 0.47162 0.0385 Uiso 1 4 calc R . .
H4 H 0.29804 0.51202 0.47761 0.0379 Uiso 1 4 calc R . .
H8 H 0.69296 0.39127 0.35264 0.0461 Uiso 1 4 calc R . .
H9 H 0.80617 0.4801 0.36102 0.0542 Uiso 1 4 calc R . .
H10 H 0.76501 0.56766 0.39721 0.0474 Uiso 1 4 calc R . .
H10A H 0.23 0.37489 0.19161 0.0444 Uiso 1 4 calc R . .
H10B H 0.16308 0.42651 0.2135 0.0444 Uiso 1 4 calc R . .
H10C H 0.28062 0.41964 0.22152 0.0444 Uiso 1 4 calc R . .
H10D H 0.20874 0.54981 0.20959 0.0495 Uiso 1 4 calc R . .
H10E H 0.27117 0.57603 0.1765 0.0495 Uiso 1 4 calc R . .
H10F H 0.32795 0.53987 0.20822 0.0495 Uiso 1 4 calc R . .
H10G H -0.01369 0.31858 0.08 0.0640 Uiso 1 4 calc R . .
H10H H 0.09598 0.29637 0.09261 0.0640 Uiso 1 4 calc R . .
H10I H 0.06194 0.28402 0.05291 0.0640 Uiso 1 4 calc R . .
H10J H 0.06496 0.45785 0.02612 0.0640 Uiso 1 4 calc R . .
H10K H -0.03131 0.41416 0.03634 0.0640 Uiso 1 4 calc R . .
H10L H 0.05182 0.38429 0.01043 0.0640 Uiso 1 4 calc R . .
H11A H 0.38479 0.68683 0.10345 0.0537 Uiso 1 4 calc R . .
H11B H 0.31081 0.66249 0.13399 0.0537 Uiso 1 4 calc R . .
H11C H 0.18484 0.64076 0.09695 0.0623 Uiso 1 4 calc R . .
H11D H 0.23593 0.70263 0.0774 0.0623 Uiso 1 4 calc R . .
H11E H 0.41961 0.69326 0.0509 0.0585 Uiso 1 4 calc R . .
H11F H 0.47021 0.66278 0.01636 0.0585 Uiso 1 4 calc R . .
H11G H 0.55838 0.58708 0.04615 0.0515 Uiso 1 4 calc R . .
H11H H 0.55667 0.64656 0.07406 0.0515 Uiso 1 4 calc R . .
H12 H 0.43901 0.38848 0.38045 0.0418 Uiso 1 4 calc R . .
H13A H 0.51162 0.3475 0.4322 0.0681 Uiso 1 4 calc R . .
H13B H 0.59007 0.30438 0.40991 0.0681 Uiso 1 4 calc R . .
H13C H 0.47288 0.2868 0.40853 0.0681 Uiso 1 4 calc R . .
H14A H 0.58442 0.30914 0.34425 0.0702 Uiso 1 4 calc R . .
H14B H 0.51718 0.36445 0.32514 0.0702 Uiso 1 4 calc R . .
H14C H 0.46507 0.30033 0.34231 0.0702 Uiso 1 4 calc R . .
H15 H 0.53088 0.5885 0.4432 0.0471 Uiso 1 4 calc R . .
H16A H 0.65577 0.63709 0.47995 0.0616 Uiso 1 4 calc R . .
H16B H 0.74161 0.60182 0.45716 0.0616 Uiso 1 4 calc R . .
H16C H 0.66494 0.55745 0.47954 0.0616 Uiso 1 4 calc R . .
H17A H 0.55912 0.6563 0.39319 0.0650 Uiso 1 4 calc R . .
H17B H 0.67035 0.67088 0.40713 0.0650 Uiso 1 4 calc R . .
H17C H 0.57527 0.69581 0.4292 0.0650 Uiso 1 4 calc R . .
H20 H 0.10906 0.70422 0.41138 0.0365 Uiso 1 4 calc R . .
H21 H -0.02775 0.6423 0.39162 0.0384 Uiso 1 4 calc R . .
H22 H -0.0184 0.52751 0.38819 0.0366 Uiso 1 4 calc R . .
H24 H 0.35409 0.64001 0.43031 0.0386 Uiso 1 4 calc R . .
H25A H 0.26454 0.63576 0.48422 0.0474 Uiso 1 4 calc R . .
H25B H 0.21606 0.70713 0.47594 0.0474 Uiso 1 4 calc R . .
H25C H 0.33445 0.70065 0.48236 0.0474 Uiso 1 4 calc R . .
H26A H 0.25063 0.76316 0.41792 0.0512 Uiso 1 4 calc R . .
H26B H 0.31245 0.72467 0.38817 0.0512 Uiso 1 4 calc R . .
H26C H 0.36962 0.75429 0.42162 0.0512 Uiso 1 4 calc R . .
H27 H 0.2023 0.42813 0.40115 0.0398 Uiso 1 4 calc R . .
H28A H 0.06807 0.36769 0.43266 0.0942 Uiso 1 4 calc R . .
H28B H 0.02838 0.44039 0.44316 0.0942 Uiso 1 4 calc R . .
H28C H 0.13824 0.41686 0.45487 0.0942 Uiso 1 4 calc R . .
H29A H 0.10237 0.43394 0.35045 0.0476 Uiso 1 4 calc R . .
H29B H 0.00419 0.42418 0.37409 0.0476 Uiso 1 4 calc R . .
H29C H 0.08554 0.3656 0.37136 0.0476 Uiso 1 4 calc R . .
H33A H 0.26424 0.67087 0.32882 0.0470 Uiso 1 4 calc R . .
H33B H 0.35553 0.68217 0.3024 0.0470 Uiso 1 4 calc R . .
H34A H 0.29878 0.61381 0.2669 0.1371 Uiso 1 4 calc R . .
H34B H 0.19764 0.61577 0.28927 0.1371 Uiso 1 4 calc R . .
H37A H 0.49867 0.48331 0.26845 0.1703 Uiso 1 4 calc R . .
H37B H 0.43856 0.54488 0.25236 0.1703 Uiso 1 4 calc R . .
H38A H 0.51434 0.60965 0.28376 0.0518 Uiso 1 4 calc R . .
H38B H 0.58057 0.54875 0.2975 0.0518 Uiso 1 4 calc R . .
H43 H 0.06487 0.37872 0.29338 0.0349 Uiso 1 4 calc R . .
H44 H 0.24338 0.35404 0.30837 0.0342 Uiso 1 4 calc R . .
H48 H -0.21903 0.27995 0.20761 0.0443 Uiso 1 4 calc R . .
H49 H -0.31913 0.25792 0.256 0.0487 Uiso 1 4 calc R . .
H50 H -0.2511 0.24647 0.31071 0.0475 Uiso 1 4 calc R . .
H52 H 0.05087 0.29254 0.20815 0.0417 Uiso 1 4 calc R . .
H53A H -0.01853 0.39796 0.20594 0.0552 Uiso 1 4 calc R . .
H53B H -0.11081 0.37163 0.18289 0.0552 Uiso 1 4 calc R . .
H53C H 0.0 0.3729 0.16665 0.0552 Uiso 1 4 calc R . .
H54A H 0.00534 0.25291 0.1526 0.0568 Uiso 1 4 calc R . .
H54B H -0.11022 0.24874 0.16393 0.0568 Uiso 1 4 calc R . .
H54C H -0.02969 0.19955 0.18132 0.0568 Uiso 1 4 calc R . .
H55 H 0.00683 0.27452 0.3336 0.0409 Uiso 1 4 calc R . .
H56A H -0.19326 0.27754 0.36134 0.0478 Uiso 1 4 calc R . .
H56B H -0.12493 0.34199 0.35459 0.0478 Uiso 1 4 calc R . .
H56C H -0.09394 0.28921 0.38415 0.0478 Uiso 1 4 calc R . .
H57A H -0.00714 0.16029 0.32896 0.0461 Uiso 1 4 calc R . .
H57B H -0.12019 0.16218 0.34318 0.0461 Uiso 1 4 calc R . .
H57C H -0.02915 0.18095 0.36874 0.0461 Uiso 1 4 calc R . .
H60 H 0.4144 0.13464 0.35215 0.0368 Uiso 1 4 calc R . .
H61 H 0.54364 0.13478 0.31101 0.0412 Uiso 1 4 calc R . .
H62 H 0.52879 0.19515 0.2594 0.0388 Uiso 1 4 calc R . .
H64 H 0.17025 0.2044 0.34013 0.0381 Uiso 1 4 calc R . .
H65A H 0.25892 0.29293 0.36587 0.0472 Uiso 1 4 calc R . .
H65B H 0.32061 0.24195 0.38994 0.0472 Uiso 1 4 calc R . .
H65C H 0.20244 0.25144 0.39581 0.0472 Uiso 1 4 calc R . .
H66A H 0.28307 0.11904 0.38508 0.0484 Uiso 1 4 calc R . .
H66B H 0.21297 0.0923 0.35404 0.0484 Uiso 1 4 calc R . .
H66C H 0.16423 0.13067 0.38666 0.0484 Uiso 1 4 calc R . .
H67 H 0.31117 0.2889 0.23232 0.0415 Uiso 1 4 calc R . .
H68A H 0.51633 0.3238 0.24653 0.0473 Uiso 1 4 calc R . .
H68B H 0.42137 0.35864 0.2646 0.0473 Uiso 1 4 calc R . .
H68C H 0.44088 0.36788 0.2235 0.0473 Uiso 1 4 calc R . .
H69A H 0.3766 0.2002 0.19774 0.0492 Uiso 1 4 calc R . .
H69B H 0.48835 0.22661 0.20456 0.0492 Uiso 1 4 calc R . .
H69C H 0.41128 0.27074 0.18222 0.0492 Uiso 1 4 calc R . .
H73A H 0.18544 -0.00844 0.28711 0.0632 Uiso 1 4 calc R . .
H73B H 0.27206 0.04541 0.28061 0.0632 Uiso 1 4 calc R . .
H74A H 0.27943 -0.011 0.23031 0.0691 Uiso 1 4 calc R . .
H74B H 0.16152 -0.02651 0.23001 0.0691 Uiso 1 4 calc R . .
H77A H -0.04892 0.07132 0.19256 0.0603 Uiso 1 4 calc R . .
H77B H 0.00837 0.0013 0.19079 0.0603 Uiso 1 4 calc R . .
H78A H 0.01687 -0.00866 0.24843 0.0432 Uiso 1 4 calc R . .
H78B H -0.08503 0.0333 0.24542 0.0432 Uiso 1 4 calc R . .
H83 H 0.43057 0.29077 0.11369 0.0348 Uiso 1 4 calc R . .
H84 H 0.25115 0.30799 0.13004 0.0331 Uiso 1 4 calc R . .
H88 H 0.67185 0.42287 0.01739 0.0466 Uiso 1 4 calc R . .
H89 H 0.78872 0.44304 0.06085 0.0539 Uiso 1 4 calc R . .
H90 H 0.74497 0.43491 0.11904 0.0442 Uiso 1 4 calc R . .
H92 H 0.40994 0.38572 0.03063 0.0400 Uiso 1 4 calc R . .
H93A H 0.49529 0.28608 0.0223 0.0511 Uiso 1 4 calc R . .
H93B H 0.5746 0.32093 -0.00337 0.0511 Uiso 1 4 calc R . .
H93C H 0.4603 0.31193 -0.01546 0.0511 Uiso 1 4 calc R . .
H94A H 0.54257 0.4451 -0.01933 0.0487 Uiso 1 4 calc R . .
H94B H 0.46228 0.48617 0.00324 0.0487 Uiso 1 4 calc R . .
H94C H 0.42496 0.43268 -0.02506 0.0487 Uiso 1 4 calc R . .
H95 H 0.50093 0.39125 0.15211 0.0376 Uiso 1 4 calc R . .
H96A H 0.7092 0.36949 0.16556 0.0599 Uiso 1 4 calc R . .
H96B H 0.62598 0.31283 0.15998 0.0599 Uiso 1 4 calc R . .
H96C H 0.6236 0.3584 0.19442 0.0599 Uiso 1 4 calc R . .
H97A H 0.64347 0.49432 0.16625 0.0629 Uiso 1 4 calc R . .
H97B H 0.55775 0.47111 0.19301 0.0629 Uiso 1 4 calc R . .
H97C H 0.52772 0.50618 0.15681 0.0629 Uiso 1 4 calc R . .
H100 H 0.072 0.53233 0.17537 0.0384 Uiso 1 4 calc R . .
H101 H -0.05901 0.52743 0.13604 0.0463 Uiso 1 4 calc R . .
H102 H -0.05038 0.46133 0.0873 0.0495 Uiso 1 4 calc R . .
H104 H 0.31651 0.46122 0.1644 0.0392 Uiso 1 4 calc R . .
H107 H 0.17022 0.37796 0.05581 0.0483 Uiso 1 4 calc R . .
H31 H 0.51107 0.55866 0.35096 0.0356 Uiso 1 4 calc R . .
H32 H 0.3735 0.61973 0.36553 0.0368 Uiso 1 4 calc R . .
H35 H 0.22232 0.51028 0.30709 0.0580 Uiso 1 4 calc R . .
H36 H 0.3547 0.44727 0.29314 0.0551 Uiso 1 4 calc R . .
H71 H -0.00506 0.12847 0.26798 0.0365 Uiso 1 4 calc R . .
H72 H 0.15049 0.12113 0.29401 0.0431 Uiso 1 4 calc R . .
H75 H 0.25229 0.09218 0.20352 0.0564 Uiso 1 4 calc R . .
H76 H 0.10387 0.11715 0.17797 0.0535 Uiso 1 4 calc R . .
H111 H 0.49469 0.5245 0.09078 0.0391 Uiso 1 4 calc R . .
H112 H 0.35768 0.5505 0.12447 0.0376 Uiso 1 4 calc R . .
H115 H 0.20502 0.58688 0.04506 0.0522 Uiso 1 4 calc R . .
H116 H 0.34726 0.5806 0.01318 0.0459 Uiso 1 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Rh1 F1 2.028(5) yes . .
Rh1 C1 2.044(8) yes . .
Rh1 C31 2.092(9) yes . .
Rh1 C32 2.109(9) yes . .
Rh1 C35 2.168(11) yes . .
Rh1 C36 2.172(9) yes . .
Rh41 F41 2.086(6) yes . .
Rh41 C41 2.063(8) yes . .
Rh41 C71 2.107(9) yes . .
Rh41 C72 2.085(10) yes . .
Rh41 C75 2.190(11) yes . .
Rh41 C76 2.188(11) yes . .
Rh81 F81 2.033(5) yes . .
Rh81 C81 2.035(8) yes . .
Rh81 C111 2.082(9) yes . .
Rh81 C112 2.099(9) yes . .
Rh81 C115 2.149(11) yes . .
Rh81 C116 2.191(10) yes . .
N2 C1 1.370(10) yes . .
N2 C3 1.387(11) yes . .
N2 C6 1.462(11) yes . .
N5 C1 1.356(10) yes . .
N5 C4 1.404(11) yes . .
N5 C18 1.450(11) yes . .
N42 C41 1.350(11) yes . .
N42 C43 1.376(12) yes . .
N42 C46 1.463(10) yes . .
N45 C41 1.363(11) yes . .
N45 C44 1.372(12) yes . .
N45 C58 1.453(10) yes . .
N82 C81 1.364(11) yes . .
N82 C83 1.390(12) yes . .
N82 C86 1.446(10) yes . .
N85 C81 1.370(11) yes . .
N85 C84 1.385(12) yes . .
N85 C98 1.453(11) yes . .
C3 C4 1.350(12) yes . .
C6 C7 1.386(14) yes . .
C6 C11 1.403(13) yes . .
C7 C8 1.392(13) yes . .
C7 C12 1.509(13) yes . .
C8 C9 1.411(15) yes . .
C9 C10 1.361(16) yes . .
C10 C11 1.402(13) yes . .
C11 C15 1.521(14) yes . .
C12 C13 1.522(17) yes . .
C12 C14 1.534(17) yes . .
C15 C16 1.541(16) yes . .
C15 C17 1.507(16) yes . .
C18 C19 1.390(13) yes . .
C18 C23 1.399(12) yes . .
C19 C20 1.399(12) yes . .
C19 C24 1.532(13) yes . .
C20 C21 1.385(13) yes . .
C21 C22 1.371(14) yes . .
C22 C23 1.401(13) yes . .
C23 C27 1.512(13) yes . .
C24 C25 1.540(14) yes . .
C24 C26 1.541(14) yes . .
C27 C28 1.509(17) yes . .
C27 C29 1.490(14) yes . .
C31 C32 1.399(13) yes . .
C31 C38 1.496(14) yes . .
C32 C33 1.515(14) yes . .
C33 C34 1.44(2) yes . .
C34 C35 1.473(18) yes . .
C35 C36 1.347(16) yes . .
C36 C37 1.50(2) yes . .
C37 C38 1.42(2) yes . .
C43 C44 1.356(12) yes . .
C46 C47 1.381(14) yes . .
C46 C51 1.401(13) yes . .
C47 C48 1.403(12) yes . .
C47 C52 1.535(14) yes . .
C48 C49 1.379(14) yes . .
C49 C50 1.357(15) yes . .
C50 C51 1.409(12) yes . .
C51 C55 1.511(14) yes . .
C52 C53 1.504(15) yes . .
C52 C54 1.537(15) yes . .
C55 C56 1.540(14) yes . .
C55 C57 1.503(14) yes . .
C58 C59 1.395(13) yes . .
C58 C63 1.412(12) yes . .
C59 C60 1.394(12) yes . .
C59 C64 1.521(12) yes . .
C60 C61 1.388(13) yes . .
C61 C62 1.383(14) yes . .
C62 C63 1.394(12) yes . .
C63 C67 1.514(13) yes . .
C64 C65 1.529(14) yes . .
C64 C66 1.517(15) yes . .
C67 C68 1.536(14) yes . .
C67 C69 1.536(14) yes . .
C71 C72 1.414(13) yes . .
C71 C78 1.517(14) yes . .
C72 C73 1.504(15) yes . .
C73 C74 1.523(19) yes . .
C74 C75 1.505(17) yes . .
C75 C76 1.371(15) yes . .
C76 C77 1.525(16) yes . .
C77 C78 1.514(15) yes . .
C83 C84 1.355(12) yes . .
C86 C87 1.388(13) yes . .
C86 C91 1.399(12) yes . .
C87 C88 1.407(12) yes . .
C87 C92 1.523(13) yes . .
C88 C89 1.369(14) yes . .
C89 C90 1.366(15) yes . .
C90 C91 1.385(13) yes . .
C91 C95 1.522(13) yes . .
C92 C93 1.526(15) yes . .
C92 C94 1.523(15) yes . .
C95 C96 1.525(15) yes . .
C95 C97 1.525(15) yes . .
C98 C99 1.385(12) yes . .
C98 C103 1.412(12) yes . .
C99 C100 1.405(12) yes . .
C99 C104 1.532(12) yes . .
C100 C101 1.368(13) yes . .
C101 C102 1.355(15) yes . .
C102 C103 1.412(13) yes . .
C103 C107 1.494(14) yes . .
C104 C105 1.529(14) yes . .
C104 C106 1.537(15) yes . .
C107 C108 1.543(16) yes . .
C107 C109 1.548(15) yes . .
C111 C112 1.405(13) yes . .
C111 C118 1.509(15) yes . .
C112 C113 1.520(14) yes . .
C113 C114 1.525(17) yes . .
C114 C115 1.504(16) yes . .
C115 C116 1.376(16) yes . .
C116 C117 1.494(16) yes . .
C117 C118 1.521(16) yes . .
C3 H3 0.950 no . .
C4 H4 0.950 no . .
C8 H8 0.950 no . .
C9 H9 0.950 no . .
C10 H10 0.950 no . .
C12 H12 1.000 no . .
C13 H13A 0.980 no . .
C13 H13B 0.980 no . .
C13 H13C 0.980 no . .
C14 H14A 0.980 no . .
C14 H14B 0.980 no . .
C14 H14C 0.980 no . .
C15 H15 1.000 no . .
C16 H16A 0.980 no . .
C16 H16B 0.980 no . .
C16 H16C 0.980 no . .
C17 H17A 0.980 no . .
C17 H17B 0.980 no . .
C17 H17C 0.980 no . .
C20 H20 0.950 no . .
C21 H21 0.950 no . .
C22 H22 0.950 no . .
C24 H24 1.000 no . .
C25 H25A 0.980 no . .
C25 H25B 0.980 no . .
C25 H25C 0.980 no . .
C26 H26A 0.980 no . .
C26 H26B 0.980 no . .
C26 H26C 0.980 no . .
C27 H27 1.000 no . .
C28 H28A 0.980 no . .
C28 H28B 0.980 no . .
C28 H28C 0.980 no . .
C29 H29A 0.980 no . .
C29 H29B 0.980 no . .
C29 H29C 0.980 no . .
C31 H31 0.950 no . .
C32 H32 0.950 no . .
C33 H33A 0.990 no . .
C33 H33B 0.990 no . .
C34 H34A 0.990 no . .
C34 H34B 0.990 no . .
C35 H35 0.950 no . .
C36 H36 0.950 no . .
C37 H37A 0.990 no . .
C37 H37B 0.990 no . .
C38 H38A 0.990 no . .
C38 H38B 0.990 no . .
C43 H43 0.950 no . .
C44 H44 0.950 no . .
C48 H48 0.950 no . .
C49 H49 0.950 no . .
C50 H50 0.950 no . .
C52 H52 1.000 no . .
C53 H53A 0.980 no . .
C53 H53B 0.980 no . .
C53 H53C 0.980 no . .
C54 H54A 0.980 no . .
C54 H54B 0.980 no . .
C54 H54C 0.980 no . .
C55 H55 1.000 no . .
C56 H56A 0.980 no . .
C56 H56B 0.980 no . .
C56 H56C 0.980 no . .
C57 H57A 0.980 no . .
C57 H57B 0.980 no . .
C57 H57C 0.980 no . .
C60 H60 0.950 no . .
C61 H61 0.950 no . .
C62 H62 0.950 no . .
C64 H64 1.000 no . .
C65 H65A 0.980 no . .
C65 H65B 0.980 no . .
C65 H65C 0.980 no . .
C66 H66A 0.980 no . .
C66 H66B 0.980 no . .
C66 H66C 0.980 no . .
C67 H67 1.000 no . .
C68 H68A 0.980 no . .
C68 H68B 0.980 no . .
C68 H68C 0.980 no . .
C69 H69A 0.980 no . .
C69 H69B 0.980 no . .
C69 H69C 0.980 no . .
C71 H71 0.950 no . .
C72 H72 0.950 no . .
C73 H73A 0.990 no . .
C73 H73B 0.990 no . .
C74 H74A 0.990 no . .
C74 H74B 0.990 no . .
C75 H75 0.950 no . .
C76 H76 0.950 no . .
C77 H77A 0.990 no . .
C77 H77B 0.990 no . .
C78 H78A 0.990 no . .
C78 H78B 0.990 no . .
C83 H83 0.950 no . .
C84 H84 0.950 no . .
C88 H88 0.950 no . .
C89 H89 0.950 no . .
C90 H90 0.950 no . .
C92 H92 1.000 no . .
C93 H93A 0.980 no . .
C93 H93B 0.980 no . .
C93 H93C 0.980 no . .
C94 H94A 0.980 no . .
C94 H94B 0.980 no . .
C94 H94C 0.980 no . .
C95 H95 1.000 no . .
C96 H96A 0.980 no . .
C96 H96B 0.980 no . .
C96 H96C 0.980 no . .
C97 H97A 0.980 no . .
C97 H97B 0.980 no . .
C97 H97C 0.980 no . .
C100 H100 0.950 no . .
C101 H101 0.950 no . .
C102 H102 0.950 no . .
C104 H104 1.000 no . .
C105 H10A 0.980 no . .
C105 H10B 0.980 no . .
C105 H10C 0.980 no . .
C106 H10D 0.980 no . .
C106 H10E 0.980 no . .
C106 H10F 0.980 no . .
C107 H107 1.000 no . .
C108 H10G 0.980 no . .
C108 H10H 0.980 no . .
C108 H10I 0.980 no . .
C109 H10J 0.980 no . .
C109 H10K 0.980 no . .
C109 H10L 0.980 no . .
C111 H111 0.950 no . .
C112 H112 0.950 no . .
C113 H11A 0.990 no . .
C113 H11B 0.990 no . .
C114 H11C 0.990 no . .
C114 H11D 0.990 no . .
C115 H115 0.950 no . .
C116 H116 0.950 no . .
C117 H11E 0.990 no . .
C117 H11F 0.990 no . .
C118 H11G 0.990 no . .
C118 H11H 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
F1 Rh1 C1 89.1(3) yes . . .
F1 Rh1 C31 153.3(3) yes . . .
F1 Rh1 C32 167.0(3) yes . . .
F1 Rh1 C35 91.6(3) yes . . .
F1 Rh1 C36 85.4(3) yes . . .
C1 Rh1 C31 98.1(3) yes . . .
C1 Rh1 C32 92.5(4) yes . . .
C1 Rh1 C35 155.0(4) yes . . .
C1 Rh1 C36 168.0(4) yes . . .
C31 Rh1 C32 38.9(3) yes . . .
C31 Rh1 C35 92.4(4) yes . . .
C31 Rh1 C36 82.3(4) yes . . .
C32 Rh1 C35 81.5(4) yes . . .
C32 Rh1 C36 95.2(4) yes . . .
C35 Rh1 C36 36.1(4) yes . . .
F41 Rh41 C41 85.6(3) yes . . .
F41 Rh41 C71 160.1(3) yes . . .
F41 Rh41 C72 160.3(3) yes . . .
F41 Rh41 C75 92.2(3) yes . . .
F41 Rh41 C76 87.7(3) yes . . .
C41 Rh41 C71 99.9(3) yes . . .
C41 Rh41 C72 92.3(3) yes . . .
C41 Rh41 C75 157.8(4) yes . . .
C41 Rh41 C76 164.5(4) yes . . .
C71 Rh41 C72 39.4(4) yes . . .
C71 Rh41 C75 89.7(4) yes . . .
C71 Rh41 C76 82.0(4) yes . . .
C72 Rh41 C75 82.4(4) yes . . .
C72 Rh41 C76 98.6(4) yes . . .
C75 Rh41 C76 36.5(4) yes . . .
F81 Rh81 C81 88.0(3) yes . . .
F81 Rh81 C111 154.2(3) yes . . .
F81 Rh81 C112 165.5(3) yes . . .
F81 Rh81 C115 87.9(3) yes . . .
F81 Rh81 C116 88.9(3) yes . . .
C81 Rh81 C111 96.6(4) yes . . .
C81 Rh81 C112 95.8(3) yes . . .
C81 Rh81 C115 153.3(4) yes . . .
C81 Rh81 C116 169.0(4) yes . . .
C111 Rh81 C112 39.3(4) yes . . .
C111 Rh81 C115 98.5(4) yes . . .
C111 Rh81 C116 81.7(4) yes . . .
C112 Rh81 C115 82.4(4) yes . . .
C112 Rh81 C116 89.8(4) yes . . .
C115 Rh81 C116 37.0(4) yes . . .
C1 N2 C3 111.3(7) yes . . .
C1 N2 C6 122.4(7) yes . . .
C3 N2 C6 125.2(7) yes . . .
C1 N5 C4 112.0(7) yes . . .
C1 N5 C18 123.1(7) yes . . .
C4 N5 C18 124.3(7) yes . . .
C41 N42 C43 111.7(7) yes . . .
C41 N42 C46 125.7(7) yes . . .
C43 N42 C46 121.3(7) yes . . .
C41 N45 C44 112.0(7) yes . . .
C41 N45 C58 124.8(7) yes . . .
C44 N45 C58 122.8(7) yes . . .
C81 N82 C83 112.0(7) yes . . .
C81 N82 C86 124.4(7) yes . . .
C83 N82 C86 123.4(7) yes . . .
C81 N85 C84 112.1(7) yes . . .
C81 N85 C98 123.6(7) yes . . .
C84 N85 C98 124.0(7) yes . . .
Rh1 C1 N2 129.4(6) yes . . .
Rh1 C1 N5 125.8(6) yes . . .
N2 C1 N5 103.7(7) yes . . .
N2 C3 C4 107.3(8) yes . . .
N5 C4 C3 105.7(8) yes . . .
N2 C6 C7 118.9(8) yes . . .
N2 C6 C11 117.2(8) yes . . .
C7 C6 C11 123.8(8) yes . . .
C6 C7 C8 117.1(9) yes . . .
C6 C7 C12 121.6(8) yes . . .
C8 C7 C12 121.3(9) yes . . .
C7 C8 C9 120.7(10) yes . . .
C8 C9 C10 120.2(9) yes . . .
C9 C10 C11 121.5(9) yes . . .
C6 C11 C10 116.6(9) yes . . .
C6 C11 C15 124.0(8) yes . . .
C10 C11 C15 119.3(8) yes . . .
C7 C12 C13 109.9(8) yes . . .
C7 C12 C14 113.4(8) yes . . .
C13 C12 C14 110.6(9) yes . . .
C11 C15 C16 111.0(8) yes . . .
C11 C15 C17 112.6(9) yes . . .
C16 C15 C17 110.6(9) yes . . .
N5 C18 C19 118.5(7) yes . . .
N5 C18 C23 118.6(8) yes . . .
C19 C18 C23 122.9(8) yes . . .
C18 C19 C20 117.9(8) yes . . .
C18 C19 C24 122.8(8) yes . . .
C20 C19 C24 119.2(8) yes . . .
C19 C20 C21 120.4(9) yes . . .
C20 C21 C22 120.4(8) yes . . .
C21 C22 C23 121.6(8) yes . . .
C18 C23 C22 116.7(9) yes . . .
C18 C23 C27 122.7(8) yes . . .
C22 C23 C27 120.5(8) yes . . .
C19 C24 C25 110.2(7) yes . . .
C19 C24 C26 113.1(8) yes . . .
C25 C24 C26 111.2(8) yes . . .
C23 C27 C28 109.8(8) yes . . .
C23 C27 C29 112.7(8) yes . . .
C28 C27 C29 110.1(9) yes . . .
Rh1 C31 C32 71.2(5) yes . . .
Rh1 C31 C38 111.3(7) yes . . .
C32 C31 C38 125.6(9) yes . . .
Rh1 C32 C31 69.9(5) yes . . .
Rh1 C32 C33 110.5(6) yes . . .
C31 C32 C33 125.1(9) yes . . .
C32 C33 C34 116.4(10) yes . . .
C33 C34 C35 116.7(15) yes . . .
Rh1 C35 C34 111.2(10) yes . . .
Rh1 C35 C36 72.1(6) yes . . .
C34 C35 C36 125.5(13) yes . . .
Rh1 C36 C35 71.8(6) yes . . .
Rh1 C36 C37 108.2(9) yes . . .
C35 C36 C37 123.4(13) yes . . .
C36 C37 C38 117.9(13) yes . . .
C31 C38 C37 117.2(11) yes . . .
Rh41 C41 N42 128.8(6) yes . . .
Rh41 C41 N45 125.1(6) yes . . .
N42 C41 N45 103.5(7) yes . . .
N42 C43 C44 106.8(8) yes . . .
N45 C44 C43 106.0(8) yes . . .
N42 C46 C47 119.5(8) yes . . .
N42 C46 C51 116.8(8) yes . . .
C47 C46 C51 123.6(8) yes . . .
C46 C47 C48 117.7(9) yes . . .
C46 C47 C52 123.9(8) yes . . .
C48 C47 C52 118.4(9) yes . . .
C47 C48 C49 119.9(9) yes . . .
C48 C49 C50 121.4(8) yes . . .
C49 C50 C51 121.4(9) yes . . .
C46 C51 C50 116.0(9) yes . . .
C46 C51 C55 124.3(8) yes . . .
C50 C51 C55 119.7(9) yes . . .
C47 C52 C53 111.9(8) yes . . .
C47 C52 C54 111.2(8) yes . . .
C53 C52 C54 110.5(9) yes . . .
C51 C55 C56 112.6(8) yes . . .
C51 C55 C57 111.5(8) yes . . .
C56 C55 C57 110.1(8) yes . . .
N45 C58 C59 118.4(7) yes . . .
N45 C58 C63 118.5(8) yes . . .
C59 C58 C63 123.1(8) yes . . .
C58 C59 C60 117.6(8) yes . . .
C58 C59 C64 122.5(7) yes . . .
C60 C59 C64 119.7(8) yes . . .
C59 C60 C61 120.6(9) yes . . .
C60 C61 C62 120.6(8) yes . . .
C61 C62 C63 121.3(8) yes . . .
C58 C63 C62 116.7(8) yes . . .
C58 C63 C67 122.5(7) yes . . .
C62 C63 C67 120.4(8) yes . . .
C59 C64 C65 110.5(8) yes . . .
C59 C64 C66 113.0(8) yes . . .
C65 C64 C66 110.2(8) yes . . .
C63 C67 C68 108.3(8) yes . . .
C63 C67 C69 113.0(8) yes . . .
C68 C67 C69 110.8(8) yes . . .
Rh41 C71 C72 69.5(5) yes . . .
Rh41 C71 C78 114.1(6) yes . . .
C72 C71 C78 123.8(8) yes . . .
Rh41 C72 C71 71.1(6) yes . . .
Rh41 C72 C73 109.6(7) yes . . .
C71 C72 C73 125.0(9) yes . . .
C72 C73 C74 113.9(10) yes . . .
C73 C74 C75 112.4(10) yes . . .
Rh41 C75 C74 110.6(8) yes . . .
Rh41 C75 C76 71.7(7) yes . . .
C74 C75 C76 124.9(10) yes . . .
Rh41 C76 C75 71.8(7) yes . . .
Rh41 C76 C77 107.9(7) yes . . .
C75 C76 C77 123.6(10) yes . . .
C76 C77 C78 114.2(9) yes . . .
C71 C78 C77 112.7(9) yes . . .
Rh81 C81 N82 132.1(6) yes . . .
Rh81 C81 N85 123.9(6) yes . . .
N82 C81 N85 103.0(7) yes . . .
N82 C83 C84 106.5(8) yes . . .
N85 C84 C83 106.3(8) yes . . .
N82 C86 C87 119.1(7) yes . . .
N82 C86 C91 118.1(8) yes . . .
C87 C86 C91 122.7(8) yes . . .
C86 C87 C88 117.0(8) yes . . .
C86 C87 C92 124.0(8) yes . . .
C88 C87 C92 118.9(8) yes . . .
C87 C88 C89 120.9(9) yes . . .
C88 C89 C90 120.5(9) yes . . .
C89 C90 C91 121.5(9) yes . . .
C86 C91 C90 117.3(8) yes . . .
C86 C91 C95 122.7(8) yes . . .
C90 C91 C95 120.0(8) yes . . .
C87 C92 C93 109.5(8) yes . . .
C87 C92 C94 112.2(8) yes . . .
C93 C92 C94 111.3(8) yes . . .
C91 C95 C96 111.2(8) yes . . .
C91 C95 C97 111.9(8) yes . . .
C96 C95 C97 111.1(8) yes . . .
N85 C98 C99 118.0(7) yes . . .
N85 C98 C103 118.6(8) yes . . .
C99 C98 C103 123.4(8) yes . . .
C98 C99 C100 117.1(8) yes . . .
C98 C99 C104 123.4(7) yes . . .
C100 C99 C104 119.1(8) yes . . .
C99 C100 C101 120.9(9) yes . . .
C100 C101 C102 121.2(9) yes . . .
C101 C102 C103 121.5(9) yes . . .
C98 C103 C102 115.9(9) yes . . .
C98 C103 C107 122.9(8) yes . . .
C102 C103 C107 121.2(8) yes . . .
C99 C104 C105 109.8(7) yes . . .
C99 C104 C106 113.7(8) yes . . .
C105 C104 C106 110.5(8) yes . . .
C103 C107 C108 109.5(8) yes . . .
C103 C107 C109 112.0(9) yes . . .
C108 C107 C109 111.1(9) yes . . .
Rh81 C111 C112 71.0(5) yes . . .
Rh81 C111 C118 110.2(7) yes . . .
C112 C111 C118 125.1(9) yes . . .
Rh81 C112 C111 69.7(5) yes . . .
Rh81 C112 C113 113.5(6) yes . . .
C111 C112 C113 123.7(9) yes . . .
C112 C113 C114 111.3(9) yes . . .
C113 C114 C115 113.7(10) yes . . .
Rh81 C115 C114 107.9(7) yes . . .
Rh81 C115 C116 73.2(6) yes . . .
C114 C115 C116 125.3(10) yes . . .
Rh81 C116 C115 69.9(6) yes . . .
Rh81 C116 C117 111.8(7) yes . . .
C115 C116 C117 124.7(9) yes . . .
C116 C117 C118 111.7(9) yes . . .
C111 C118 C117 113.9(9) yes . . .
N2 C3 H3 126.346 no . . .
C4 C3 H3 126.310 no . . .
N5 C4 H4 127.146 no . . .
C3 C4 H4 127.143 no . . .
C7 C8 H8 119.659 no . . .
C9 C8 H8 119.643 no . . .
C8 C9 H9 119.885 no . . .
C10 C9 H9 119.889 no . . .
C9 C10 H10 119.264 no . . .
C11 C10 H10 119.281 no . . .
C7 C12 H12 107.540 no . . .
C13 C12 H12 107.566 no . . .
C14 C12 H12 107.533 no . . .
C12 C13 H13A 109.461 no . . .
C12 C13 H13B 109.463 no . . .
C12 C13 H13C 109.468 no . . .
H13A C13 H13B 109.477 no . . .
H13A C13 H13C 109.474 no . . .
H13B C13 H13C 109.484 no . . .
C12 C14 H14A 109.476 no . . .
C12 C14 H14B 109.479 no . . .
C12 C14 H14C 109.478 no . . .
H14A C14 H14B 109.478 no . . .
H14A C14 H14C 109.460 no . . .
H14B C14 H14C 109.457 no . . .
C11 C15 H15 107.478 no . . .
C16 C15 H15 107.481 no . . .
C17 C15 H15 107.480 no . . .
C15 C16 H16A 109.480 no . . .
C15 C16 H16B 109.467 no . . .
C15 C16 H16C 109.481 no . . .
H16A C16 H16B 109.476 no . . .
H16A C16 H16C 109.457 no . . .
H16B C16 H16C 109.466 no . . .
C15 C17 H17A 109.469 no . . .
C15 C17 H17B 109.470 no . . .
C15 C17 H17C 109.473 no . . .
H17A C17 H17B 109.482 no . . .
H17A C17 H17C 109.462 no . . .
H17B C17 H17C 109.471 no . . .
C19 C20 H20 119.801 no . . .
C21 C20 H20 119.788 no . . .
C20 C21 H21 119.814 no . . .
C22 C21 H21 119.817 no . . .
C21 C22 H22 119.183 no . . .
C23 C22 H22 119.174 no . . .
C19 C24 H24 107.365 no . . .
C25 C24 H24 107.375 no . . .
C26 C24 H24 107.370 no . . .
C24 C25 H25A 109.477 no . . .
C24 C25 H25B 109.493 no . . .
C24 C25 H25C 109.477 no . . .
H25A C25 H25B 109.453 no . . .
H25A C25 H25C 109.467 no . . .
H25B C25 H25C 109.461 no . . .
C24 C26 H26A 109.479 no . . .
C24 C26 H26B 109.481 no . . .
C24 C26 H26C 109.482 no . . .
H26A C26 H26B 109.453 no . . .
H26A C26 H26C 109.466 no . . .
H26B C26 H26C 109.467 no . . .
C23 C27 H27 108.053 no . . .
C28 C27 H27 108.032 no . . .
C29 C27 H27 108.030 no . . .
C27 C28 H28A 109.456 no . . .
C27 C28 H28B 109.456 no . . .
C27 C28 H28C 109.467 no . . .
H28A C28 H28B 109.470 no . . .
H28A C28 H28C 109.484 no . . .
H28B C28 H28C 109.494 no . . .
C27 C29 H29A 109.472 no . . .
C27 C29 H29B 109.481 no . . .
C27 C29 H29C 109.471 no . . .
H29A C29 H29B 109.460 no . . .
H29A C29 H29C 109.471 no . . .
H29B C29 H29C 109.472 no . . .
Rh1 C31 H31 87.424 no . . .
C32 C31 H31 117.193 no . . .
C38 C31 H31 117.188 no . . .
Rh1 C32 H32 89.553 no . . .
C31 C32 H32 117.451 no . . .
C33 C32 H32 117.453 no . . .
C32 C33 H33A 108.193 no . . .
C32 C33 H33B 108.189 no . . .
C34 C33 H33A 108.185 no . . .
C34 C33 H33B 108.188 no . . .
H33A C33 H33B 107.348 no . . .
C33 C34 H34A 108.124 no . . .
C33 C34 H34B 108.136 no . . .
C35 C34 H34A 108.114 no . . .
C35 C34 H34B 108.121 no . . .
H34A C34 H34B 107.299 no . . .
Rh1 C35 H35 86.609 no . . .
C34 C35 H35 117.253 no . . .
C36 C35 H35 117.255 no . . .
Rh1 C36 H36 90.021 no . . .
C35 C36 H36 118.279 no . . .
C37 C36 H36 118.288 no . . .
C36 C37 H37A 107.834 no . . .
C36 C37 H37B 107.846 no . . .
C38 C37 H37A 107.831 no . . .
C38 C37 H37B 107.849 no . . .
H37A C37 H37B 107.171 no . . .
C31 C38 H38A 107.997 no . . .
C31 C38 H38B 108.008 no . . .
C37 C38 H38A 107.991 no . . .
C37 C38 H38B 108.009 no . . .
H38A C38 H38B 107.240 no . . .
N42 C43 H43 126.595 no . . .
C44 C43 H43 126.599 no . . .
N45 C44 H44 127.015 no . . .
C43 C44 H44 127.016 no . . .
C47 C48 H48 120.020 no . . .
C49 C48 H48 120.033 no . . .
C48 C49 H49 119.330 no . . .
C50 C49 H49 119.318 no . . .
C49 C50 H50 119.318 no . . .
C51 C50 H50 119.298 no . . .
C47 C52 H52 107.691 no . . .
C53 C52 H52 107.679 no . . .
C54 C52 H52 107.668 no . . .
C52 C53 H53A 109.464 no . . .
C52 C53 H53B 109.476 no . . .
C52 C53 H53C 109.478 no . . .
H53A C53 H53B 109.466 no . . .
H53A C53 H53C 109.463 no . . .
H53B C53 H53C 109.480 no . . .
C52 C54 H54A 109.467 no . . .
C52 C54 H54B 109.479 no . . .
C52 C54 H54C 109.463 no . . .
H54A C54 H54B 109.458 no . . .
H54A C54 H54C 109.479 no . . .
H54B C54 H54C 109.482 no . . .
C51 C55 H55 107.461 no . . .
C56 C55 H55 107.464 no . . .
C57 C55 H55 107.457 no . . .
C55 C56 H56A 109.487 no . . .
C55 C56 H56B 109.484 no . . .
C55 C56 H56C 109.481 no . . .
H56A C56 H56B 109.464 no . . .
H56A C56 H56C 109.459 no . . .
H56B C56 H56C 109.451 no . . .
C55 C57 H57A 109.466 no . . .
C55 C57 H57B 109.467 no . . .
C55 C57 H57C 109.471 no . . .
H57A C57 H57B 109.466 no . . .
H57A C57 H57C 109.473 no . . .
H57B C57 H57C 109.484 no . . .
C59 C60 H60 119.679 no . . .
C61 C60 H60 119.686 no . . .
C60 C61 H61 119.702 no . . .
C62 C61 H61 119.689 no . . .
C61 C62 H62 119.373 no . . .
C63 C62 H62 119.361 no . . .
C59 C64 H64 107.656 no . . .
C65 C64 H64 107.663 no . . .
C66 C64 H64 107.666 no . . .
C64 C65 H65A 109.478 no . . .
C64 C65 H65B 109.481 no . . .
C64 C65 H65C 109.480 no . . .
H65A C65 H65B 109.463 no . . .
H65A C65 H65C 109.471 no . . .
H65B C65 H65C 109.454 no . . .
C64 C66 H66A 109.474 no . . .
C64 C66 H66B 109.464 no . . .
C64 C66 H66C 109.464 no . . .
H66A C66 H66B 109.476 no . . .
H66A C66 H66C 109.474 no . . .
H66B C66 H66C 109.475 no . . .
C63 C67 H67 108.201 no . . .
C68 C67 H67 108.213 no . . .
C69 C67 H67 108.223 no . . .
C67 C68 H68A 109.471 no . . .
C67 C68 H68B 109.467 no . . .
C67 C68 H68C 109.467 no . . .
H68A C68 H68B 109.460 no . . .
H68A C68 H68C 109.486 no . . .
H68B C68 H68C 109.477 no . . .
C67 C69 H69A 109.469 no . . .
C67 C69 H69B 109.479 no . . .
C67 C69 H69C 109.461 no . . .
H69A C69 H69B 109.464 no . . .
H69A C69 H69C 109.480 no . . .
H69B C69 H69C 109.474 no . . .
Rh41 C71 H71 86.450 no . . .
C72 C71 H71 118.080 no . . .
C78 C71 H71 118.074 no . . .
Rh41 C72 H72 89.287 no . . .
C71 C72 H72 117.514 no . . .
C73 C72 H72 117.511 no . . .
C72 C73 H73A 108.777 no . . .
C72 C73 H73B 108.783 no . . .
C74 C73 H73A 108.778 no . . .
C74 C73 H73B 108.810 no . . .
H73A C73 H73B 107.656 no . . .
C73 C74 H74A 109.114 no . . .
C73 C74 H74B 109.129 no . . .
C75 C74 H74A 109.119 no . . .
C75 C74 H74B 109.119 no . . .
H74A C74 H74B 107.856 no . . .
Rh41 C75 H75 87.669 no . . .
C74 C75 H75 117.569 no . . .
C76 C75 H75 117.551 no . . .
Rh41 C76 H76 90.221 no . . .
C75 C76 H76 118.197 no . . .
C77 C76 H76 118.191 no . . .
C76 C77 H77A 108.712 no . . .
C76 C77 H77B 108.714 no . . .
C78 C77 H77A 108.704 no . . .
C78 C77 H77B 108.718 no . . .
H77A C77 H77B 107.624 no . . .
C71 C78 H78A 109.057 no . . .
C71 C78 H78B 109.056 no . . .
C77 C78 H78A 109.067 no . . .
C77 C78 H78B 109.074 no . . .
H78A C78 H78B 107.819 no . . .
N82 C83 H83 126.744 no . . .
C84 C83 H83 126.728 no . . .
N85 C84 H84 126.846 no . . .
C83 C84 H84 126.842 no . . .
C87 C88 H88 119.557 no . . .
C89 C88 H88 119.561 no . . .
C88 C89 H89 119.751 no . . .
C90 C89 H89 119.718 no . . .
C89 C90 H90 119.250 no . . .
C91 C90 H90 119.257 no . . .
C87 C92 H92 107.857 no . . .
C93 C92 H92 107.883 no . . .
C94 C92 H92 107.882 no . . .
C92 C93 H93A 109.461 no . . .
C92 C93 H93B 109.469 no . . .
C92 C93 H93C 109.476 no . . .
H93A C93 H93B 109.473 no . . .
H93A C93 H93C 109.479 no . . .
H93B C93 H93C 109.469 no . . .
C92 C94 H94A 109.470 no . . .
C92 C94 H94B 109.470 no . . .
C92 C94 H94C 109.462 no . . .
H94A C94 H94B 109.477 no . . .
H94A C94 H94C 109.479 no . . .
H94B C94 H94C 109.469 no . . .
C91 C95 H95 107.497 no . . .
C96 C95 H95 107.488 no . . .
C97 C95 H95 107.480 no . . .
C95 C96 H96A 109.467 no . . .
C95 C96 H96B 109.458 no . . .
C95 C96 H96C 109.472 no . . .
H96A C96 H96B 109.473 no . . .
H96A C96 H96C 109.476 no . . .
H96B C96 H96C 109.480 no . . .
C95 C97 H97A 109.469 no . . .
C95 C97 H97B 109.471 no . . .
C95 C97 H97C 109.467 no . . .
H97A C97 H97B 109.468 no . . .
H97A C97 H97C 109.471 no . . .
H97B C97 H97C 109.480 no . . .
C99 C100 H100 119.549 no . . .
C101 C100 H100 119.563 no . . .
C100 C101 H101 119.385 no . . .
C102 C101 H101 119.422 no . . .
C101 C102 H102 119.234 no . . .
C103 C102 H102 119.239 no . . .
C99 C104 H104 107.519 no . . .
C105 C104 H104 107.516 no . . .
C106 C104 H104 107.520 no . . .
C104 C105 H10A 109.473 no . . .
C104 C105 H10B 109.460 no . . .
C104 C105 H10C 109.460 no . . .
H10A C105 H10B 109.467 no . . .
H10A C105 H10C 109.466 no . . .
H10B C105 H10C 109.501 no . . .
C104 C106 H10D 109.475 no . . .
C104 C106 H10E 109.470 no . . .
C104 C106 H10F 109.473 no . . .
H10D C106 H10E 109.463 no . . .
H10D C106 H10F 109.481 no . . .
H10E C106 H10F 109.466 no . . .
C103 C107 H107 108.033 no . . .
C108 C107 H107 108.038 no . . .
C109 C107 H107 108.044 no . . .
C107 C108 H10G 109.467 no . . .
C107 C108 H10H 109.474 no . . .
C107 C108 H10I 109.466 no . . .
H10G C108 H10H 109.465 no . . .
H10G C108 H10I 109.480 no . . .
H10H C108 H10I 109.476 no . . .
C107 C109 H10J 109.475 no . . .
C107 C109 H10K 109.493 no . . .
C107 C109 H10L 109.472 no . . .
H10J C109 H10K 109.466 no . . .
H10J C109 H10L 109.462 no . . .
H10K C109 H10L 109.459 no . . .
Rh81 C111 H111 88.771 no . . .
C112 C111 H111 117.429 no . . .
C118 C111 H111 117.447 no . . .
Rh81 C112 H112 86.828 no . . .
C111 C112 H112 118.161 no . . .
C113 C112 H112 118.161 no . . .
C112 C113 H11A 109.361 no . . .
C112 C113 H11B 109.363 no . . .
C114 C113 H11A 109.358 no . . .
C114 C113 H11B 109.367 no . . .
H11A C113 H11B 107.993 no . . .
C113 C114 H11C 108.823 no . . .
C113 C114 H11D 108.833 no . . .
C115 C114 H11C 108.822 no . . .
C115 C114 H11D 108.823 no . . .
H11C C114 H11D 107.691 no . . .
Rh81 C115 H115 88.882 no . . .
C114 C115 H115 117.335 no . . .
C116 C115 H115 117.361 no . . .
Rh81 C116 H116 88.381 no . . .
C115 C116 H116 117.650 no . . .
C117 C116 H116 117.659 no . . .
C116 C117 H11E 109.278 no . . .
C116 C117 H11F 109.277 no . . .
C118 C117 H11E 109.284 no . . .
C118 C117 H11F 109.280 no . . .
H11E C117 H11F 107.948 no . . .
C111 C118 H11G 108.793 no . . .
C111 C118 H11H 108.793 no . . .
C117 C118 H11G 108.771 no . . .
C117 C118 H11H 108.775 no . . .
H11G C118 H11H 107.657 no . . .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
F1 Rh1 C1 N2 89.1(6) no . . . .
F1 Rh1 C1 N5 -76.9(6) no . . . .
F1 Rh1 C31 C32 171.6(4) no . . . .
F1 Rh1 C31 C38 49.7(10) no . . . .
F1 Rh1 C35 C34 158.0(6) no . . . .
F1 Rh1 C35 C36 -80.0(5) no . . . .
F1 Rh1 C36 C35 99.0(4) no . . . .
F1 Rh1 C36 C37 -140.9(6) no . . . .
C1 Rh1 C31 C32 -83.9(4) no . . . .
C1 Rh1 C31 C38 154.2(5) no . . . .
C31 Rh1 C1 N2 -65.1(7) no . . . .
C31 Rh1 C1 N5 128.9(6) no . . . .
C1 Rh1 C32 C31 99.8(4) no . . . .
C1 Rh1 C32 C33 -139.1(5) no . . . .
C32 Rh1 C1 N2 -103.8(7) no . . . .
C32 Rh1 C1 N5 90.2(6) no . . . .
C1 Rh1 C35 C34 66.8(12) no . . . .
C1 Rh1 C35 C36 -171.3(6) no . . . .
C35 Rh1 C1 N2 -179.1(8) no . . . .
C35 Rh1 C1 N5 14.9(13) no . . . .
C31 Rh1 C32 C31 0.0(4) no . . . .
C31 Rh1 C32 C33 121.1(8) no . . . .
C32 Rh1 C31 C32 0.0(4) no . . . .
C32 Rh1 C31 C38 -121.8(8) no . . . .
C31 Rh1 C35 C34 -48.4(7) no . . . .
C31 Rh1 C35 C36 73.6(5) no . . . .
C35 Rh1 C31 C32 73.4(4) no . . . .
C35 Rh1 C31 C38 -48.5(6) no . . . .
C31 Rh1 C36 C35 -104.8(5) no . . . .
C31 Rh1 C36 C37 15.4(6) no . . . .
C36 Rh1 C31 C32 108.2(5) no . . . .
C36 Rh1 C31 C38 -13.7(5) no . . . .
C32 Rh1 C35 C34 -10.9(6) no . . . .
C32 Rh1 C35 C36 111.1(5) no . . . .
C35 Rh1 C32 C31 -104.6(5) no . . . .
C35 Rh1 C32 C33 16.6(5) no . . . .
C32 Rh1 C36 C35 -67.9(5) no . . . .
C32 Rh1 C36 C37 52.2(6) no . . . .
C36 Rh1 C32 C31 -71.0(4) no . . . .
C36 Rh1 C32 C33 50.1(6) no . . . .
C35 Rh1 C36 C35 -0.0(5) no . . . .
C35 Rh1 C36 C37 120.2(10) no . . . .
C36 Rh1 C35 C34 -121.9(10) no . . . .
C36 Rh1 C35 C36 -0.0(5) no . . . .
F41 Rh41 C41 N42 83.0(6) no . . . .
F41 Rh41 C41 N45 -75.8(6) no . . . .
F41 Rh41 C75 C74 155.5(6) no . . . .
F41 Rh41 C75 C76 -83.2(4) no . . . .
F41 Rh41 C76 C75 96.7(4) no . . . .
F41 Rh41 C76 C77 -142.8(6) no . . . .
C41 Rh41 C71 C72 -81.5(4) no . . . .
C41 Rh41 C71 C78 159.6(5) no . . . .
C71 Rh41 C41 N42 -77.7(7) no . . . .
C71 Rh41 C41 N45 123.6(6) no . . . .
C41 Rh41 C72 C71 102.8(4) no . . . .
C41 Rh41 C72 C73 -135.8(5) no . . . .
C72 Rh41 C41 N42 -116.6(7) no . . . .
C72 Rh41 C41 N45 84.6(6) no . . . .
C41 Rh41 C75 C74 71.8(12) no . . . .
C41 Rh41 C75 C76 -166.9(7) no . . . .
C75 Rh41 C41 N42 168.0(8) no . . . .
C75 Rh41 C41 N45 9.2(14) no . . . .
C71 Rh41 C72 C71 -0.0(4) no . . . .
C71 Rh41 C72 C73 121.4(8) no . . . .
C72 Rh41 C71 C72 -0.0(4) no . . . .
C72 Rh41 C71 C78 -118.9(8) no . . . .
C71 Rh41 C75 C74 -44.3(6) no . . . .
C71 Rh41 C75 C76 76.9(5) no . . . .
C75 Rh41 C71 C72 78.3(4) no . . . .
C75 Rh41 C71 C78 -40.6(6) no . . . .
C71 Rh41 C76 C75 -100.4(5) no . . . .
C71 Rh41 C76 C77 20.0(6) no . . . .
C76 Rh41 C71 C72 114.1(4) no . . . .
C76 Rh41 C71 C78 -4.8(5) no . . . .
C72 Rh41 C75 C74 -5.5(6) no . . . .
C72 Rh41 C75 C76 115.8(5) no . . . .
C75 Rh41 C72 C71 -98.9(4) no . . . .
C75 Rh41 C72 C73 22.6(5) no . . . .
C72 Rh41 C76 C75 -64.5(5) no . . . .
C72 Rh41 C76 C77 55.9(6) no . . . .
C76 Rh41 C72 C71 -66.1(4) no . . . .
C76 Rh41 C72 C73 55.3(6) no . . . .
C75 Rh41 C76 C75 0.0(5) no . . . .
C75 Rh41 C76 C77 120.4(10) no . . . .
C76 Rh41 C75 C74 -121.3(9) no . . . .
C76 Rh41 C75 C76 0.0(5) no . . . .
F81 Rh81 C81 N82 98.1(7) no . . . .
F81 Rh81 C81 N85 -68.4(6) no . . . .
F81 Rh81 C111 C112 169.8(4) no . . . .
F81 Rh81 C111 C118 48.3(10) no . . . .
F81 Rh81 C115 C114 146.6(6) no . . . .
F81 Rh81 C115 C116 -90.9(4) no . . . .
F81 Rh81 C116 C115 88.0(4) no . . . .
F81 Rh81 C116 C117 -151.5(5) no . . . .
C81 Rh81 C111 C112 -91.0(4) no . . . .
C81 Rh81 C111 C118 147.5(5) no . . . .
C111 Rh81 C81 N82 -56.5(7) no . . . .
C111 Rh81 C81 N85 137.1(6) no . . . .
C81 Rh81 C112 C111 93.4(4) no . . . .
C81 Rh81 C112 C113 -147.6(5) no . . . .
C112 Rh81 C81 N82 -96.0(7) no . . . .
C112 Rh81 C81 N85 97.6(6) no . . . .
C81 Rh81 C115 C114 65.2(11) no . . . .
C81 Rh81 C115 C116 -172.4(6) no . . . .
C115 Rh81 C81 N82 179.5(7) no . . . .
C115 Rh81 C81 N85 13.0(12) no . . . .
C111 Rh81 C112 C111 0.0(4) no . . . .
C111 Rh81 C112 C113 118.9(8) no . . . .
C112 Rh81 C111 C112 0.0(4) no . . . .
C112 Rh81 C111 C118 -121.4(8) no . . . .
C111 Rh81 C115 C114 -58.5(7) no . . . .
C111 Rh81 C115 C116 64.0(5) no . . . .
C115 Rh81 C111 C112 66.9(4) no . . . .
C115 Rh81 C111 C118 -54.6(6) no . . . .
C111 Rh81 C116 C115 -116.1(4) no . . . .
C111 Rh81 C116 C117 4.3(5) no . . . .
C116 Rh81 C111 C112 100.0(4) no . . . .
C116 Rh81 C111 C118 -21.5(5) no . . . .
C112 Rh81 C115 C114 -22.5(6) no . . . .
C112 Rh81 C115 C116 99.9(5) no . . . .
C115 Rh81 C112 C111 -113.4(4) no . . . .
C115 Rh81 C112 C113 5.5(5) no . . . .
C112 Rh81 C116 C115 -77.5(4) no . . . .
C112 Rh81 C116 C117 42.9(6) no . . . .
C116 Rh81 C112 C111 -77.1(4) no . . . .
C116 Rh81 C112 C113 41.9(6) no . . . .
C115 Rh81 C116 C115 0.0(5) no . . . .
C115 Rh81 C116 C117 120.4(9) no . . . .
C116 Rh81 C115 C114 -122.5(10) no . . . .
C116 Rh81 C115 C116 0.0(4) no . . . .
C1 N2 C3 C4 -1.3(10) no . . . .
C3 N2 C1 Rh1 -167.6(7) no . . . .
C3 N2 C1 N5 0.7(9) no . . . .
C1 N2 C6 C7 -79.2(10) no . . . .
C1 N2 C6 C11 97.9(9) no . . . .
C6 N2 C1 Rh1 23.6(12) no . . . .
C6 N2 C1 N5 -168.0(7) no . . . .
C3 N2 C6 C7 113.6(9) no . . . .
C3 N2 C6 C11 -69.2(11) no . . . .
C6 N2 C3 C4 167.1(7) no . . . .
C1 N5 C4 C3 -0.9(9) no . . . .
C4 N5 C1 Rh1 169.0(6) no . . . .
C4 N5 C1 N2 0.1(9) no . . . .
C1 N5 C18 C19 -90.1(9) no . . . .
C1 N5 C18 C23 91.3(9) no . . . .
C18 N5 C1 Rh1 -20.3(11) no . . . .
C18 N5 C1 N2 170.8(7) no . . . .
C4 N5 C18 C19 79.4(10) no . . . .
C4 N5 C18 C23 -99.1(9) no . . . .
C18 N5 C4 C3 -171.5(7) no . . . .
C41 N42 C43 C44 -1.1(9) no . . . .
C43 N42 C41 Rh41 -161.1(6) no . . . .
C43 N42 C41 N45 1.1(9) no . . . .
C41 N42 C46 C47 -87.6(10) no . . . .
C41 N42 C46 C51 95.9(10) no . . . .
C46 N42 C41 Rh41 31.7(12) no . . . .
C46 N42 C41 N45 -166.1(7) no . . . .
C43 N42 C46 C47 106.4(9) no . . . .
C43 N42 C46 C51 -70.2(10) no . . . .
C46 N42 C43 C44 166.8(7) no . . . .
C41 N45 C44 C43 0.1(9) no . . . .
C44 N45 C41 Rh41 162.4(6) no . . . .
C44 N45 C41 N42 -0.7(9) no . . . .
C41 N45 C58 C59 -87.6(10) no . . . .
C41 N45 C58 C63 94.5(9) no . . . .
C58 N45 C41 Rh41 -25.1(11) no . . . .
C58 N45 C41 N42 171.8(7) no . . . .
C44 N45 C58 C59 84.2(10) no . . . .
C44 N45 C58 C63 -93.8(10) no . . . .
C58 N45 C44 C43 -172.6(7) no . . . .
C81 N82 C83 C84 -1.1(9) no . . . .
C83 N82 C81 Rh81 -167.1(7) no . . . .
C83 N82 C81 N85 1.5(9) no . . . .
C81 N82 C86 C87 -75.8(10) no . . . .
C81 N82 C86 C91 102.1(9) no . . . .
C86 N82 C81 Rh81 17.8(12) no . . . .
C86 N82 C81 N85 -173.7(7) no . . . .
C83 N82 C86 C87 109.6(9) no . . . .
C83 N82 C86 C91 -72.5(10) no . . . .
C86 N82 C83 C84 174.1(7) no . . . .
C81 N85 C84 C83 0.7(9) no . . . .
C84 N85 C81 Rh81 168.4(6) no . . . .
C84 N85 C81 N82 -1.3(9) no . . . .
C81 N85 C98 C99 -81.9(10) no . . . .
C81 N85 C98 C103 98.1(9) no . . . .
C98 N85 C81 Rh81 -17.8(11) no . . . .
C98 N85 C81 N82 172.5(7) no . . . .
C84 N85 C98 C99 91.1(10) no . . . .
C84 N85 C98 C103 -88.9(10) no . . . .
C98 N85 C84 C83 -173.0(7) no . . . .
N2 C3 C4 N5 1.3(10) no . . . .
N2 C6 C7 C8 174.1(7) no . . . .
N2 C6 C7 C12 -9.6(13) no . . . .
N2 C6 C11 C10 -173.5(7) no . . . .
N2 C6 C11 C15 4.3(12) no . . . .
C7 C6 C11 C10 3.5(13) no . . . .
C7 C6 C11 C15 -178.7(8) no . . . .
C11 C6 C7 C8 -2.8(14) no . . . .
C11 C6 C7 C12 173.4(8) no . . . .
C6 C7 C8 C9 0.3(14) no . . . .
C6 C7 C12 C13 -82.7(10) no . . . .
C6 C7 C12 C14 152.9(8) no . . . .
C8 C7 C12 C13 93.4(10) no . . . .
C8 C7 C12 C14 -31.0(12) no . . . .
C12 C7 C8 C9 -176.0(8) no . . . .
C7 C8 C9 C10 1.5(15) no . . . .
C8 C9 C10 C11 -0.7(16) no . . . .
C9 C10 C11 C6 -1.6(14) no . . . .
C9 C10 C11 C15 -179.5(9) no . . . .
C6 C11 C15 C16 118.9(9) no . . . .
C6 C11 C15 C17 -116.6(9) no . . . .
C10 C11 C15 C16 -63.5(11) no . . . .
C10 C11 C15 C17 61.1(11) no . . . .
N5 C18 C19 C20 178.9(7) no . . . .
N5 C18 C19 C24 -4.9(12) no . . . .
N5 C18 C23 C22 -179.0(6) no . . . .
N5 C18 C23 C27 3.8(12) no . . . .
C19 C18 C23 C22 2.5(12) no . . . .
C19 C18 C23 C27 -174.6(7) no . . . .
C23 C18 C19 C20 -2.6(13) no . . . .
C23 C18 C19 C24 173.6(7) no . . . .
C18 C19 C20 C21 0.6(12) no . . . .
C18 C19 C24 C25 -95.2(9) no . . . .
C18 C19 C24 C26 139.7(8) no . . . .
C20 C19 C24 C25 81.0(10) no . . . .
C20 C19 C24 C26 -44.1(11) no . . . .
C24 C19 C20 C21 -175.7(7) no . . . .
C19 C20 C21 C22 1.4(13) no . . . .
C20 C21 C22 C23 -1.5(13) no . . . .
C21 C22 C23 C18 -0.4(12) no . . . .
C21 C22 C23 C27 176.8(7) no . . . .
C18 C23 C27 C28 95.5(9) no . . . .
C18 C23 C27 C29 -141.4(8) no . . . .
C22 C23 C27 C28 -81.6(9) no . . . .
C22 C23 C27 C29 41.5(11) no . . . .
Rh1 C31 C32 Rh1 0.00(2) no . . . .
Rh1 C31 C32 C33 -101.5(7) no . . . .
Rh1 C31 C38 C37 9.5(11) no . . . .
C32 C31 C38 C37 -72.1(13) no . . . .
C38 C31 C32 Rh1 103.2(10) no . . . .
C38 C31 C32 C33 1.7(14) no . . . .
Rh1 C32 C33 C34 -20.7(10) no . . . .
C31 C32 C33 C34 58.6(12) no . . . .
C32 C33 C34 C35 12(2) no . . . .
C33 C34 C35 Rh1 2.6(19) no . . . .
C33 C34 C35 C36 -80.0(19) no . . . .
Rh1 C35 C36 Rh1 0.000(17) no . . . .
Rh1 C35 C36 C37 -100.2(8) no . . . .
C34 C35 C36 Rh1 103.7(14) no . . . .
C34 C35 C36 C37 3.5(18) no . . . .
Rh1 C36 C37 C38 -15.1(19) no . . . .
C35 C36 C37 C38 64.6(19) no . . . .
C36 C37 C38 C31 4(2) no . . . .
N42 C43 C44 N45 0.6(9) no . . . .
N42 C46 C47 C48 -177.1(7) no . . . .
N42 C46 C47 C52 1.3(13) no . . . .
N42 C46 C51 C50 178.2(7) no . . . .
N42 C46 C51 C55 -2.5(13) no . . . .
C47 C46 C51 C50 1.8(13) no . . . .
C47 C46 C51 C55 -178.9(8) no . . . .
C51 C46 C47 C48 -0.8(13) no . . . .
C51 C46 C47 C52 177.7(8) no . . . .
C46 C47 C48 C49 -0.6(13) no . . . .
C46 C47 C52 C53 -109.5(9) no . . . .
C46 C47 C52 C54 126.4(9) no . . . .
C48 C47 C52 C53 68.9(10) no . . . .
C48 C47 C52 C54 -55.2(11) no . . . .
C52 C47 C48 C49 -179.1(8) no . . . .
C47 C48 C49 C50 0.7(15) no . . . .
C48 C49 C50 C51 0.4(16) no . . . .
C49 C50 C51 C46 -1.7(15) no . . . .
C49 C50 C51 C55 179.0(9) no . . . .
C46 C51 C55 C56 135.5(9) no . . . .
C46 C51 C55 C57 -100.1(10) no . . . .
C50 C51 C55 C56 -45.2(12) no . . . .
C50 C51 C55 C57 79.2(10) no . . . .
N45 C58 C59 C60 -179.7(7) no . . . .
N45 C58 C59 C64 -3.7(12) no . . . .
N45 C58 C63 C62 -179.9(7) no . . . .
N45 C58 C63 C67 6.9(12) no . . . .
C59 C58 C63 C62 2.2(13) no . . . .
C59 C58 C63 C67 -171.0(7) no . . . .
C63 C58 C59 C60 -1.9(13) no . . . .
C63 C58 C59 C64 174.1(7) no . . . .
C58 C59 C60 C61 -0.1(13) no . . . .
C58 C59 C64 C65 -92.5(9) no . . . .
C58 C59 C64 C66 143.6(8) no . . . .
C60 C59 C64 C65 83.4(10) no . . . .
C60 C59 C64 C66 -40.5(11) no . . . .
C64 C59 C60 C61 -176.3(7) no . . . .
C59 C60 C61 C62 1.7(14) no . . . .
C60 C61 C62 C63 -1.3(14) no . . . .
C61 C62 C63 C58 -0.6(13) no . . . .
C61 C62 C63 C67 172.8(8) no . . . .
C58 C63 C67 C68 101.0(9) no . . . .
C58 C63 C67 C69 -135.9(8) no . . . .
C62 C63 C67 C68 -72.0(10) no . . . .
C62 C63 C67 C69 51.1(11) no . . . .
Rh41 C71 C72 Rh41 0.00(2) no . . . .
Rh41 C71 C72 C73 -101.1(8) no . . . .
Rh41 C71 C78 C77 -12.0(9) no . . . .
C72 C71 C78 C77 -92.7(10) no . . . .
C78 C71 C72 Rh41 105.9(9) no . . . .
C78 C71 C72 C73 4.8(14) no . . . .
Rh41 C72 C73 C74 -37.1(10) no . . . .
C71 C72 C73 C74 43.1(13) no . . . .
C72 C73 C74 C75 33.1(12) no . . . .
C73 C74 C75 Rh41 -12.9(11) no . . . .
C73 C74 C75 C76 -94.4(12) no . . . .
Rh41 C75 C76 Rh41 0.00(2) no . . . .
Rh41 C75 C76 C77 -99.9(9) no . . . .
C74 C75 C76 Rh41 102.8(12) no . . . .
C74 C75 C76 C77 2.9(18) no . . . .
Rh41 C76 C77 C78 -32.9(10) no . . . .
C75 C76 C77 C78 46.8(15) no . . . .
C76 C77 C78 C71 30.4(12) no . . . .
N82 C83 C84 N85 0.2(9) no . . . .
N82 C86 C87 C88 176.7(7) no . . . .
N82 C86 C87 C92 -6.6(13) no . . . .
N82 C86 C91 C90 -176.7(7) no . . . .
N82 C86 C91 C95 3.1(12) no . . . .
C87 C86 C91 C90 1.2(13) no . . . .
C87 C86 C91 C95 -179.0(8) no . . . .
C91 C86 C87 C88 -1.2(13) no . . . .
C91 C86 C87 C92 175.6(8) no . . . .
C86 C87 C88 C89 0.0(14) no . . . .
C86 C87 C92 C93 -105.5(9) no . . . .
C86 C87 C92 C94 130.3(9) no . . . .
C88 C87 C92 C93 71.2(10) no . . . .
C88 C87 C92 C94 -53.0(11) no . . . .
C92 C87 C88 C89 -176.9(8) no . . . .
C87 C88 C89 C90 1.0(17) no . . . .
C88 C89 C90 C91 -1.0(17) no . . . .
C89 C90 C91 C86 -0.1(15) no . . . .
C89 C90 C91 C95 -179.9(9) no . . . .
C86 C91 C95 C96 124.2(8) no . . . .
C86 C91 C95 C97 -111.0(9) no . . . .
C90 C91 C95 C96 -56.0(11) no . . . .
C90 C91 C95 C97 68.8(11) no . . . .
N85 C98 C99 C100 177.3(6) no . . . .
N85 C98 C99 C104 -9.8(12) no . . . .
N85 C98 C103 C102 -176.9(7) no . . . .
N85 C98 C103 C107 6.3(13) no . . . .
C99 C98 C103 C102 3.1(13) no . . . .
C99 C98 C103 C107 -173.7(8) no . . . .
C103 C98 C99 C100 -2.7(13) no . . . .
C103 C98 C99 C104 170.2(7) no . . . .
C98 C99 C100 C101 -0.4(13) no . . . .
C98 C99 C104 C105 -90.9(9) no . . . .
C98 C99 C104 C106 144.7(8) no . . . .
C100 C99 C104 C105 81.9(10) no . . . .
C100 C99 C104 C106 -42.5(11) no . . . .
C104 C99 C100 C101 -173.6(7) no . . . .
C99 C100 C101 C102 2.9(14) no . . . .
C100 C101 C102 C103 -2.4(16) no . . . .
C101 C102 C103 C98 -0.5(14) no . . . .
C101 C102 C103 C107 176.4(9) no . . . .
C98 C103 C107 C108 92.0(10) no . . . .
C98 C103 C107 C109 -144.3(8) no . . . .
C102 C103 C107 C108 -84.6(11) no . . . .
C102 C103 C107 C109 39.1(12) no . . . .
Rh81 C111 C112 Rh81 0.000(19) no . . . .
Rh81 C111 C112 C113 -105.3(8) no . . . .
Rh81 C111 C118 C117 36.3(10) no . . . .
C112 C111 C118 C117 -44.2(13) no . . . .
C118 C111 C112 Rh81 101.8(9) no . . . .
C118 C111 C112 C113 -3.6(14) no . . . .
Rh81 C112 C113 C114 12.7(10) no . . . .
C111 C112 C113 C114 93.2(11) no . . . .
C112 C113 C114 C115 -33.2(12) no . . . .
C113 C114 C115 Rh81 36.6(11) no . . . .
C113 C114 C115 C116 -45.1(14) no . . . .
Rh81 C115 C116 Rh81 0.000(19) no . . . .
Rh81 C115 C116 C117 -103.1(9) no . . . .
C114 C115 C116 Rh81 100.3(11) no . . . .
C114 C115 C116 C117 -2.8(17) no . . . .
Rh81 C116 C117 C118 13.8(10) no . . . .
C115 C116 C117 C118 93.7(12) no . . . .
C116 C117 C118 C111 -33.0(12) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Rh1 C6 3.515(8) no . .
Rh1 C18 3.409(9) no . .
Rh41 C58 3.467(9) no . .
Rh81 C86 3.584(8) no . .
Rh81 C98 3.371(9) no . .
F1 N5 3.491(9) no . .
F1 C12 3.232(10) no . .
F1 C14 3.467(13) no . .
F1 C27 3.042(11) no . .
F1 C29 3.052(11) no . .
F41 N42 3.529(9) no . .
F41 N45 3.413(9) no . .
F41 C52 3.225(11) no . .
F41 C54 3.287(12) no . .
F41 C67 3.128(11) no . .
F41 C69 3.063(12) no . .
F81 N85 3.341(9) no . .
F81 C92 3.424(11) no . .
F81 C94 3.308(11) no . .
F81 C98 3.593(10) no . .
F81 C103 3.399(10) no . .
F81 C107 3.078(11) no . .
F81 C109 3.157(12) no . .
N2 C12 2.890(12) no . .
N2 C13 3.461(15) no . .
N2 C15 2.925(12) no . .
N2 C18 3.543(11) no . .
N5 C6 3.545(10) no . .
N5 C24 2.916(12) no . .
N5 C27 2.911(12) no . .
N42 C52 2.957(12) no . .
N42 C55 2.913(12) no . .
N42 C58 3.540(10) no . .
N45 C46 3.548(10) no . .
N45 C64 2.906(12) no . .
N45 C67 2.923(11) no . .
N82 C92 2.947(12) no . .
N82 C95 2.902(12) no . .
N82 C98 3.546(11) no . .
N85 C86 3.545(10) no . .
N85 C104 2.920(12) no . .
N85 C107 2.922(12) no . .
C1 C7 3.240(12) no . .
C1 C11 3.369(12) no . .
C1 C12 3.419(12) no . .
C1 C19 3.307(12) no . .
C1 C23 3.323(11) no . .
C1 C24 3.557(12) no . .
C1 C27 3.564(12) no . .
C3 C7 3.529(13) no . .
C3 C11 3.206(12) no . .
C3 C15 3.227(13) no . .
C3 C18 3.590(12) no . .
C4 C19 3.279(13) no . .
C4 C23 3.431(12) no . .
C4 C24 3.364(13) no . .
C4 C25 3.569(14) no . .
C6 C9 2.743(12) no . .
C6 C13 3.256(16) no . .
C6 C31 3.497(13) no . .
C7 C10 2.807(14) no . .
C8 C11 2.803(14) no . .
C8 C13 3.351(16) no . .
C8 C14 2.933(16) no . .
C10 C16 3.098(16) no . .
C10 C17 3.090(16) no . .
C18 C21 2.751(12) no . .
C18 C25 3.420(14) no . .
C18 C28 3.384(17) no . .
C19 C22 2.786(13) no . .
C20 C23 2.806(14) no . .
C20 C25 3.250(13) no . .
C20 C26 2.993(14) no . .
C22 C28 3.232(16) no . .
C22 C29 2.948(15) no . .
C31 C34 3.20(2) no . .
C32 C37 3.28(2) no . .
C33 C36 3.287(16) no . .
C33 C37 3.49(2) no . .
C33 C38 3.142(15) no . .
C34 C37 3.03(3) no . .
C34 C38 3.31(2) no . .
C35 C38 3.172(15) no . .
C41 C47 3.335(12) no . .
C41 C51 3.370(12) no . .
C41 C52 3.543(13) no . .
C41 C55 3.595(12) no . .
C41 C59 3.319(12) no . .
C41 C63 3.382(11) no . .
C41 C64 3.520(12) no . .
C43 C47 3.433(13) no . .
C43 C51 3.137(12) no . .
C43 C55 3.225(13) no . .
C43 C58 3.572(12) no . .
C44 C46 3.577(12) no . .
C44 C59 3.276(13) no . .
C44 C63 3.361(12) no . .
C44 C64 3.405(13) no . .
C44 C65 3.539(14) no . .
C44 C67 3.542(13) no . .
C46 C49 2.732(12) no . .
C46 C53 3.541(15) no . .
C46 C57 3.464(14) no . .
C47 C50 2.785(14) no . .
C48 C51 2.808(14) no . .
C48 C53 3.140(15) no . .
C48 C54 3.027(15) no . .
C50 C56 2.983(15) no . .
C50 C57 3.229(15) no . .
C58 C61 2.748(12) no . .
C58 C65 3.385(14) no . .
C58 C68 3.436(13) no . .
C59 C62 2.802(12) no . .
C60 C63 2.813(13) no . .
C60 C65 3.266(14) no . .
C60 C66 2.950(13) no . .
C62 C68 3.129(14) no . .
C62 C69 3.043(14) no . .
C71 C74 3.085(14) no . .
C72 C77 3.439(15) no . .
C73 C76 3.423(17) no . .
C73 C78 3.123(14) no . .
C74 C77 3.076(16) no . .
C74 C78 3.038(14) no . .
C75 C78 3.079(14) no . .
C81 C87 3.230(12) no . .
C81 C91 3.411(12) no . .
C81 C92 3.415(12) no . .
C81 C99 3.255(12) no . .
C81 C103 3.401(12) no . .
C81 C104 3.490(12) no . .
C83 C87 3.478(13) no . .
C83 C91 3.201(12) no . .
C83 C95 3.239(13) no . .
C83 C98 3.592(12) no . .
C84 C86 3.589(12) no . .
C84 C99 3.340(12) no . .
C84 C103 3.351(12) no . .
C84 C104 3.495(13) no . .
C84 C107 3.496(13) no . .
C86 C89 2.741(12) no . .
C86 C93 3.488(14) no . .
C86 C97 3.561(14) no . .
C86 C111 3.428(13) no . .
C87 C90 2.786(13) no . .
C88 C91 2.785(13) no . .
C88 C93 3.131(15) no . .
C88 C94 3.024(14) no . .
C90 C96 3.033(15) no . .
C90 C97 3.156(15) no . .
C98 C101 2.738(13) no . .
C98 C105 3.372(13) no . .
C98 C108 3.367(15) no . .
C99 C102 2.792(13) no . .
C100 C103 2.802(14) no . .
C100 C105 3.248(14) no . .
C100 C106 2.995(14) no . .
C102 C108 3.278(17) no . .
C102 C109 2.949(16) no . .
C111 C114 3.424(16) no . .
C112 C117 3.093(15) no . .
C113 C116 3.079(14) no . .
C113 C117 3.040(16) no . .
C113 C118 3.117(16) no . .
C114 C117 3.096(17) no . .
C115 C118 3.399(16) no . .
F1 C44 3.035(10) no . .
F41 O1 2.356(9) no . .
F81 C4 3.087(10) no . 4_564
O1 F41 2.356(9) no . .
O1 C17 3.483(14) no . 3_645
O1 C54 3.483(13) no . .
O1 C76 3.401(13) no . .
O1 C84 3.193(12) no . .
C4 F81 3.087(10) no . 4_565
C17 O1 3.483(14) no . 3_655
C17 C83 3.530(15) no . 3_655
C29 C43 3.534(14) no . .
C33 C48 3.526(14) no . 3_555
C43 C29 3.534(14) no . .
C44 F1 3.035(10) no . .
C48 C33 3.526(14) no . 3_545
C53 C100 3.478(14) no . .
C53 C101 3.532(16) no . .
C54 O1 3.483(13) no . .
C57 C100 3.556(14) no . 3_545
C76 O1 3.401(13) no . .
C83 C17 3.530(15) no . 3_645
C84 O1 3.193(12) no . .
C100 C53 3.478(14) no . .
C100 C57 3.556(14) no . 3_555
C101 C53 3.532(16) no . .
Rh1 H12 3.0154 no . .
Rh1 H27 3.4127 no . .
Rh1 H33A 3.4764 no . .
Rh1 H37A 3.5257 no . .
Rh1 H38B 3.5595 no . .
Rh41 H52 3.2118 no . .
Rh41 H54C 3.1860 no . .
Rh41 H73B 3.2779 no . .
Rh41 H77A 3.3838 no . .
Rh81 H11A 3.5935 no . .
Rh81 H11C 3.2995 no . .
Rh81 H11G 3.2971 no . .
Rh81 H92 3.2517 no . .
Rh81 H94B 3.0528 no . .
F1 H12 2.3493 no . .
F1 H14B 3.2833 no . .
F1 H14C 3.3021 no . .
F1 H27 2.3551 no . .
F1 H29A 2.5829 no . .
F1 H29C 3.1154 no . .
F1 H35 2.6004 no . .
F1 H36 2.3331 no . .
F41 H52 2.4087 no . .
F41 H54A 3.1142 no . .
F41 H54C 3.0289 no . .
F41 H67 2.4941 no . .
F41 H69A 2.5055 no . .
F41 H69C 3.1911 no . .
F41 H75 2.6565 no . .
F41 H76 2.4596 no . .
F81 H10J 2.6024 no . .
F81 H10L 3.3797 no . .
F81 H92 2.6963 no . .
F81 H94B 2.9078 no . .
F81 H94C 3.1689 no . .
F81 H107 2.4764 no . .
F81 H115 2.4209 no . .
F81 H116 2.5067 no . .
N2 H4 3.1296 no . .
N2 H12 2.4875 no . .
N2 H13A 2.9896 no . .
N2 H15 2.4225 no . .
N2 H24 3.3393 no . .
N2 H31 2.9997 no . .
N2 H32 3.4655 no . .
N5 H3 3.1204 no . .
N5 H15 3.3956 no . .
N5 H24 2.4589 no . .
N5 H25A 3.3059 no . .
N5 H27 2.4654 no . .
N5 H28C 3.2982 no . .
N5 H32 3.0577 no . .
N42 H44 3.1165 no . .
N42 H52 2.4765 no . .
N42 H55 2.4444 no . .
N42 H57A 3.3834 no . .
N42 H64 3.3338 no . .
N42 H71 3.2162 no . .
N42 H72 3.5301 no . .
N45 H43 3.1020 no . .
N45 H55 3.3493 no . .
N45 H64 2.4695 no . .
N45 H65A 3.1999 no . .
N45 H67 2.4426 no . .
N45 H68B 3.4487 no . .
N45 H72 2.9655 no . .
N82 H84 3.1245 no . .
N82 H92 2.4700 no . .
N82 H93A 3.5913 no . .
N82 H95 2.4008 no . .
N82 H97C 3.5916 no . .
N82 H104 3.3352 no . .
N82 H111 2.8678 no . .
N82 H112 3.5298 no . .
N85 H10A 3.2490 no . .
N85 H10H 3.2284 no . .
N85 H83 3.1174 no . .
N85 H92 3.5406 no . .
N85 H95 3.4914 no . .
N85 H104 2.4820 no . .
N85 H107 2.4842 no . .
N85 H112 3.2132 no . .
C1 H3 3.1879 no . .
C1 H4 3.1990 no . .
C1 H12 2.6999 no . .
C1 H15 3.0828 no . .
C1 H24 2.8544 no . .
C1 H27 2.8652 no . .
C1 H31 2.7126 no . .
C1 H32 2.4951 no . .
C3 H12 3.3955 no . .
C3 H13A 3.0794 no . .
C3 H15 2.4778 no . .
C3 H16C 3.5728 no . .
C3 H24 3.3681 no . .
C4 H15 3.1041 no . .
C4 H24 2.8427 no . .
C4 H25A 2.9297 no . .
C4 H27 3.1880 no . .
C4 H28C 3.1974 no . .
C6 H3 2.8349 no . .
C6 H8 3.2341 no . .
C6 H10 3.2507 no . .
C6 H12 2.6214 no . .
C6 H13A 2.9942 no . .
C6 H15 2.6148 no . .
C6 H16C 3.5565 no . .
C6 H17A 3.4875 no . .
C6 H31 2.5871 no . .
C7 H9 3.2886 no . .
C7 H13A 2.6475 no . .
C7 H13B 2.6967 no . .
C7 H13C 3.3267 no . .
C7 H14A 2.8123 no . .
C7 H14B 2.6864 no . .
C7 H14C 3.3696 no . .
C7 H31 3.0202 no . .
C8 H10 3.2591 no . .
C8 H12 3.2714 no . .
C8 H13B 3.1691 no . .
C8 H14A 2.8019 no . .
C8 H14B 2.9257 no . .
C8 H31 3.4613 no . .
C9 H31 3.5519 no . .
C10 H8 3.2539 no . .
C10 H15 3.3199 no . .
C10 H16B 2.8078 no . .
C10 H16C 3.3873 no . .
C10 H17A 3.2569 no . .
C10 H17B 2.8867 no . .
C10 H31 3.2429 no . .
C11 H3 3.3402 no . .
C11 H9 3.2654 no . .
C11 H16A 3.3634 no . .
C11 H16B 2.7108 no . .
C11 H16C 2.7213 no . .
C11 H17A 2.6540 no . .
C11 H17B 2.7808 no . .
C11 H17C 3.3517 no . .
C11 H31 2.7694 no . .
C12 H8 2.6868 no . .
C13 H8 3.4467 no . .
C13 H14A 2.6668 no . .
C13 H14B 3.3529 no . .
C13 H14C 2.7396 no . .
C14 H8 2.6037 no . .
C14 H13A 3.3562 no . .
C14 H13B 2.7198 no . .
C14 H13C 2.6796 no . .
C15 H3 3.3358 no . .
C15 H10 2.6576 no . .
C15 H24 3.4028 no . .
C15 H31 3.4576 no . .
C16 H10 2.9482 no . .
C16 H17A 3.3526 no . .
C16 H17B 2.6621 no . .
C16 H17C 2.7229 no . .
C17 H10 2.9326 no . .
C17 H16A 2.6550 no . .
C17 H16B 2.7480 no . .
C17 H16C 3.3446 no . .
C17 H24 3.3739 no . .
C17 H31 3.3753 no . .
C18 H4 2.8323 no . .
C18 H20 3.2517 no . .
C18 H22 3.2464 no . .
C18 H24 2.6230 no . .
C18 H25A 3.1923 no . .
C18 H27 2.6200 no . .
C18 H28B 3.5273 no . .
C18 H28C 3.3349 no . .
C18 H32 3.1346 no . .
C19 H4 3.4474 no . .
C19 H21 3.2719 no . .
C19 H25A 2.6596 no . .
C19 H25B 2.7574 no . .
C19 H25C 3.3612 no . .
C19 H26A 2.8270 no . .
C19 H26B 2.7024 no . .
C19 H26C 3.3921 no . .
C19 H32 3.0098 no . .
C20 H22 3.2434 no . .
C20 H24 3.3071 no . .
C20 H25A 3.5126 no . .
C20 H25B 3.0483 no . .
C20 H26A 2.8124 no . .
C20 H26B 3.0717 no . .
C22 H20 3.2450 no . .
C22 H27 3.3081 no . .
C22 H28B 2.8851 no . .
C22 H29A 3.0459 no . .
C22 H29B 2.7291 no . .
C23 H21 3.2734 no . .
C23 H28A 3.2973 no . .
C23 H28B 2.5294 no . .
C23 H28C 2.8114 no . .
C23 H29A 2.6584 no . .
C23 H29B 2.7360 no . .
C23 H29C 3.3356 no . .
C24 H4 3.5407 no . .
C24 H15 3.5771 no . .
C24 H20 2.6687 no . .
C24 H32 2.9519 no . .
C25 H4 3.3586 no . .
C25 H20 3.2529 no . .
C25 H26A 2.7022 no . .
C25 H26B 3.3825 no . .
C25 H26C 2.7643 no . .
C26 H20 2.7060 no . .
C26 H25A 3.3837 no . .
C26 H25B 2.7299 no . .
C26 H25C 2.7355 no . .
C26 H33A 3.5084 no . .
C26 H32 3.0470 no . .
C27 H22 2.6740 no . .
C28 H22 3.2402 no . .
C28 H29A 3.3056 no . .
C28 H29B 2.6280 no . .
C28 H29C 2.6641 no . .
C29 H22 2.6686 no . .
C29 H28A 2.4952 no . .
C29 H28B 2.8362 no . .
C29 H28C 3.2681 no . .
C31 H17A 3.0262 no . .
C31 H33A 3.3557 no . .
C31 H33B 2.8534 no . .
C31 H34A 3.4885 no . .
C31 H37A 3.1049 no . .
C31 H37B 3.1567 no . .
C31 H36 3.4044 no . .
C32 H17A 3.1278 no . .
C32 H24 3.4633 no . .
C32 H26B 3.0094 no . .
C32 H34A 3.0792 no . .
C32 H34B 3.2224 no . .
C32 H38A 2.7660 no . .
C32 H38B 3.3321 no . .
C32 H35 3.3128 no . .
C33 H26B 3.1764 no . .
C33 H37B 3.5539 no . .
C33 H38A 2.9846 no . .
C33 H31 3.4149 no . .
C33 H35 3.0471 no . .
C34 H37B 2.9238 no . .
C34 H38A 3.2658 no . .
C34 H32 3.2011 no . .
C34 H36 3.3426 no . .
C35 H33A 3.0474 no . .
C35 H33B 3.1878 no . .
C35 H37A 3.2728 no . .
C35 H37B 2.7343 no . .
C35 H38A 3.5406 no . .
C35 H32 3.4056 no . .
C36 H34A 2.6686 no . .
C36 H34B 3.2505 no . .
C36 H38A 3.1135 no . .
C36 H38B 3.1648 no . .
C36 H31 3.3708 no . .
C37 H34A 2.7957 no . .
C37 H31 3.1034 no . .
C37 H35 3.3418 no . .
C38 H33B 3.1247 no . .
C38 H34A 3.1823 no . .
C38 H32 3.4020 no . .
C38 H36 3.1629 no . .
C41 H43 3.1662 no . .
C41 H44 3.1799 no . .
C41 H52 2.8405 no . .
C41 H55 3.0696 no . .
C41 H57A 3.2844 no . .
C41 H64 2.7990 no . .
C41 H67 2.9775 no . .
C41 H71 2.8039 no . .
C41 H72 2.4592 no . .
C43 H52 3.2783 no . .
C43 H55 2.4711 no . .
C43 H64 3.4523 no . .
C44 H55 3.0702 no . .
C44 H64 2.9517 no . .
C44 H65A 2.8326 no . .
C44 H67 2.9823 no . .
C44 H68B 3.2959 no . .
C46 H43 2.7546 no . .
C46 H48 3.2450 no . .
C46 H50 3.2478 no . .
C46 H52 2.6204 no . .
C46 H53A 3.4352 no . .
C46 H55 2.6272 no . .
C46 H57A 3.3115 no . .
C46 H71 2.9571 no . .
C47 H49 3.2633 no . .
C47 H53A 2.7280 no . .
C47 H53B 2.6900 no . .
C47 H53C 3.3589 no . .
C47 H54A 3.3738 no . .
C47 H54B 2.7677 no . .
C47 H54C 2.6852 no . .
C47 H71 3.4800 no . .
C48 H50 3.2359 no . .
C48 H52 3.3227 no . .
C48 H53A 3.4760 no . .
C48 H53B 2.8428 no . .
C48 H54B 2.7846 no . .
C48 H54C 3.2025 no . .
C50 H48 3.2372 no . .
C50 H55 3.3069 no . .
C50 H56A 2.7125 no . .
C50 H56B 3.1689 no . .
C50 H57A 3.5871 no . .
C50 H57B 2.9633 no . .
C51 H43 3.2484 no . .
C51 H49 3.2643 no . .
C51 H56A 2.7427 no . .
C51 H56B 2.7325 no . .
C51 H56C 3.3705 no . .
C51 H57A 2.7013 no . .
C51 H57B 2.6719 no . .
C51 H57C 3.3334 no . .
C51 H71 3.1816 no . .
C52 H48 2.6608 no . .
C53 H48 3.0392 no . .
C53 H54A 2.6993 no . .
C53 H54B 2.6886 no . .
C53 H54C 3.3408 no . .
C54 H48 2.8221 no . .
C54 H53A 3.3444 no . .
C54 H53B 2.7405 no . .
C54 H53C 2.6346 no . .
C54 H77A 3.5602 no . .
C54 H76 3.2063 no . .
C55 H43 3.3700 no . .
C55 H50 2.6658 no . .
C55 H64 3.2717 no . .
C56 H50 2.7296 no . .
C56 H57A 3.3402 no . .
C56 H57B 2.7381 no . .
C56 H57C 2.6220 no . .
C57 H50 3.1862 no . .
C57 H56A 2.7202 no . .
C57 H56B 3.3358 no . .
C57 H56C 2.6554 no . .
C57 H64 3.0198 no . .
C57 H66C 3.4835 no . .
C57 H71 3.1914 no . .
C57 H72 3.5632 no . .
C58 H44 2.7733 no . .
C58 H60 3.2491 no . .
C58 H62 3.2543 no . .
C58 H64 2.6235 no . .
C58 H65A 3.1767 no . .
C58 H67 2.6148 no . .
C58 H68B 3.2323 no . .
C58 H72 2.9718 no . .
C59 H44 3.4438 no . .
C59 H61 3.2701 no . .
C59 H65A 2.6878 no . .
C59 H65B 2.7050 no . .
C59 H65C 3.3494 no . .
C59 H66A 2.7830 no . .
C59 H66B 2.6820 no . .
C59 H66C 3.3646 no . .
C59 H73B 3.4240 no . .
C59 H72 2.8677 no . .
C60 H62 3.2588 no . .
C60 H64 3.2944 no . .
C60 H65A 3.5945 no . .
C60 H65B 3.0350 no . .
C60 H66A 2.7578 no . .
C60 H66B 3.0263 no . .
C60 H73B 3.4591 no . .
C62 H60 3.2602 no . .
C62 H67 3.3188 no . .
C62 H68A 2.8714 no . .
C62 H68B 3.3890 no . .
C62 H69A 3.2426 no . .
C62 H69B 2.7889 no . .
C63 H44 3.5075 no . .
C63 H61 3.2723 no . .
C63 H68A 2.6826 no . .
C63 H68B 2.6322 no . .
C63 H68C 3.3228 no . .
C63 H69A 2.7307 no . .
C63 H69B 2.7588 no . .
C63 H69C 3.3756 no . .
C64 H55 3.5135 no . .
C64 H57A 3.4136 no . .
C64 H57C 3.5874 no . .
C64 H60 2.6652 no . .
C64 H72 2.8840 no . .
C65 H44 3.3878 no . .
C65 H60 3.2838 no . .
C65 H66A 2.6632 no . .
C65 H66B 3.3443 no . .
C65 H66C 2.7072 no . .
C66 H57A 3.5179 no . .
C66 H57C 3.5179 no . .
C66 H60 2.6551 no . .
C66 H65A 3.3414 no . .
C66 H65B 2.7211 no . .
C66 H65C 2.6563 no . .
C66 H72 3.1002 no . .
C67 H62 2.6721 no . .
C68 H62 3.1068 no . .
C68 H69A 3.3715 no . .
C68 H69B 2.7161 no . .
C68 H69C 2.7194 no . .
C69 H62 2.7892 no . .
C69 H68A 2.7260 no . .
C69 H68B 3.3715 no . .
C69 H68C 2.7097 no . .
C71 H57A 2.9146 no . .
C71 H73A 2.9529 no . .
C71 H73B 3.3546 no . .
C71 H74B 3.1550 no . .
C71 H77A 2.9547 no . .
C71 H77B 3.3158 no . .
C71 H76 3.4489 no . .
C72 H57A 3.0413 no . .
C72 H64 3.3741 no . .
C72 H66B 3.0743 no . .
C72 H74A 3.3339 no . .
C72 H74B 2.9513 no . .
C72 H78A 2.6894 no . .
C72 H78B 3.3147 no . .
C72 H75 3.3004 no . .
C73 H66B 3.3451 no . .
C73 H78A 2.7817 no . .
C73 H71 3.4205 no . .
C73 H75 2.9804 no . .
C74 H77B 3.1896 no . .
C74 H78A 2.6769 no . .
C74 H72 3.3033 no . .
C74 H76 3.3868 no . .
C75 H73A 3.3166 no . .
C75 H73B 2.9279 no . .
C75 H77A 3.3233 no . .
C75 H77B 2.8955 no . .
C75 H78A 3.1775 no . .
C75 H72 3.4686 no . .
C76 H54C 3.0133 no . .
C76 H74A 3.2675 no . .
C76 H74B 2.6623 no . .
C76 H78A 2.9849 no . .
C76 H78B 3.3407 no . .
C76 H71 3.3074 no . .
C77 H54C 3.2319 no . .
C77 H74B 2.7157 no . .
C77 H71 3.0058 no . .
C77 H75 3.3915 no . .
C78 H73A 3.2709 no . .
C78 H74B 2.6483 no . .
C78 H72 3.4198 no . .
C78 H76 3.3039 no . .
C81 H83 3.1934 no . .
C81 H84 3.1977 no . .
C81 H92 2.7235 no . .
C81 H95 3.1370 no . .
C81 H104 2.7859 no . .
C81 H107 3.0224 no . .
C81 H111 2.6242 no . .
C81 H112 2.5838 no . .
C83 H92 3.2445 no . .
C83 H95 2.4813 no . .
C83 H104 3.4900 no . .
C84 H10A 2.9826 no . .
C84 H10H 2.9572 no . .
C84 H95 3.1974 no . .
C84 H104 3.0048 no . .
C84 H107 3.0270 no . .
C86 H83 2.7925 no . .
C86 H88 3.2468 no . .
C86 H90 3.2397 no . .
C86 H92 2.6220 no . .
C86 H93A 3.3601 no . .
C86 H95 2.5904 no . .
C86 H97C 3.4456 no . .
C86 H111 2.5085 no . .
C87 H89 3.2713 no . .
C87 H93A 2.7046 no . .
C87 H93B 2.6487 no . .
C87 H93C 3.3371 no . .
C87 H94A 2.7603 no . .
C87 H94B 2.6908 no . .
C87 H94C 3.3651 no . .
C87 H111 2.9654 no . .
C88 H11G 3.5716 no . .
C88 H90 3.2270 no . .
C88 H92 3.3236 no . .
C88 H93A 3.4813 no . .
C88 H93B 2.8169 no . .
C88 H94A 2.7797 no . .
C88 H94B 3.2001 no . .
C88 H111 3.5099 no . .
C90 H88 3.2288 no . .
C90 H95 3.3087 no . .
C90 H96A 2.7098 no . .
C90 H96B 3.3305 no . .
C90 H97A 2.8924 no . .
C90 H97C 3.4520 no . .
C90 H111 3.3305 no . .
C91 H83 3.3022 no . .
C91 H89 3.2527 no . .
C91 H96A 2.6733 no . .
C91 H96B 2.7387 no . .
C91 H96C 3.3536 no . .
C91 H97A 2.7211 no . .
C91 H97B 3.3633 no . .
C91 H97C 2.7178 no . .
C91 H111 2.7552 no . .
C92 H88 2.6620 no . .
C93 H88 3.0627 no . .
C93 H94A 2.6983 no . .
C93 H94B 3.3598 no . .
C93 H94C 2.7232 no . .
C94 H88 2.7948 no . .
C94 H93A 3.3552 no . .
C94 H93B 2.7747 no . .
C94 H93C 2.6521 no . .
C94 H116 3.3490 no . .
C95 H83 3.3150 no . .
C95 H90 2.6560 no . .
C95 H111 3.4188 no . .
C96 H90 2.8419 no . .
C96 H97A 2.7411 no . .
C96 H97B 2.6728 no . .
C96 H97C 3.3553 no . .
C97 H90 3.0476 no . .
C97 H96A 2.7800 no . .
C97 H96B 3.3512 no . .
C97 H96C 2.6376 no . .
C97 H104 3.4634 no . .
C97 H111 3.2913 no . .
C98 H10A 3.1767 no . .
C98 H10H 3.1434 no . .
C98 H84 2.8048 no . .
C98 H100 3.2426 no . .
C98 H102 3.2576 no . .
C98 H104 2.6455 no . .
C98 H107 2.6220 no . .
C98 H112 3.3425 no . .
C99 H10A 2.7050 no . .
C99 H10B 2.6756 no . .
C99 H10C 3.3509 no . .
C99 H10D 2.8563 no . .
C99 H10E 2.6912 no . .
C99 H10F 3.3921 no . .
C99 H84 3.5511 no . .
C99 H101 3.2653 no . .
C99 H112 3.0721 no . .
C100 H10B 2.9820 no . .
C100 H10D 2.8526 no . .
C100 H10E 3.0288 no . .
C100 H102 3.2220 no . .
C100 H104 3.3118 no . .
C102 H10G 3.0548 no . .
C102 H10H 3.5911 no . .
C102 H10J 3.0144 no . .
C102 H10K 2.7580 no . .
C102 H100 3.2223 no . .
C102 H107 3.3037 no . .
C103 H10G 2.6894 no . .
C103 H10H 2.6548 no . .
C103 H10I 3.3229 no . .
C103 H10J 2.6758 no . .
C103 H10K 2.7745 no . .
C103 H10L 3.3524 no . .
C103 H84 3.4823 no . .
C103 H101 3.2673 no . .
C104 H100 2.6714 no . .
C104 H112 2.8782 no . .
C105 H10D 2.6539 no . .
C105 H10E 3.3593 no . .
C105 H10F 2.7679 no . .
C105 H84 3.5738 no . .
C105 H100 3.2706 no . .
C106 H10A 3.3605 no . .
C106 H10B 2.7693 no . .
C106 H10C 2.6483 no . .
C106 H11B 3.4032 no . .
C106 H100 2.6893 no . .
C106 H112 2.9344 no . .
C107 H102 2.6880 no . .
C108 H10J 3.3884 no . .
C108 H10K 2.7085 no . .
C108 H10L 2.7696 no . .
C108 H84 3.3830 no . .
C108 H102 3.3183 no . .
C109 H10G 2.7512 no . .
C109 H10H 3.3902 no . .
C109 H10I 2.7234 no . .
C109 H102 2.6526 no . .
C111 H11A 2.6851 no . .
C111 H11B 3.3091 no . .
C111 H11E 2.9557 no . .
C111 H11F 3.3379 no . .
C111 H97C 3.0061 no . .
C111 H116 3.2847 no . .
C112 H10E 2.9696 no . .
C112 H11C 2.9247 no . .
C112 H11D 3.3212 no . .
C112 H11E 3.1637 no . .
C112 H11G 3.3519 no . .
C112 H11H 2.9455 no . .
C112 H97C 3.0579 no . .
C112 H104 3.3550 no . .
C112 H115 3.4258 no . .
C113 H10E 3.0831 no . .
C113 H11E 2.6510 no . .
C113 H11H 3.2601 no . .
C113 H111 3.4135 no . .
C113 H115 3.2932 no . .
C114 H11E 2.7471 no . .
C114 H112 2.9922 no . .
C114 H116 3.3906 no . .
C115 H11A 2.9516 no . .
C115 H11B 3.3356 no . .
C115 H11E 2.6562 no . .
C115 H11F 3.2668 no . .
C115 H112 3.2957 no . .
C116 H11A 3.1515 no . .
C116 H11C 3.3235 no . .
C116 H11D 2.9159 no . .
C116 H11G 2.9087 no . .
C116 H11H 3.2980 no . .
C116 H94B 3.1366 no . .
C116 H111 3.4390 no . .
C117 H11A 2.6580 no . .
C117 H11D 3.2384 no . .
C117 H94B 3.5906 no . .
C117 H111 3.3008 no . .
C117 H115 3.3739 no . .
C118 H11A 2.7674 no . .
C118 H94B 3.4591 no . .
C118 H112 3.4196 no . .
C118 H116 2.9646 no . .
H3 H4 2.4863 no . .
H3 H13A 2.9375 no . .
H3 H15 2.7051 no . .
H3 H16C 3.0992 no . .
H4 H24 3.2233 no . .
H4 H25A 2.5314 no . .
H4 H28C 2.9855 no . .
H8 H9 2.3539 no . .
H8 H12 3.5439 no . .
H8 H13B 3.1116 no . .
H8 H14A 2.2131 no . .
H8 H14B 2.6204 no . .
H8 H14C 3.5608 no . .
H9 H10 2.2988 no . .
H10 H16B 2.4080 no . .
H10 H16C 3.4185 no . .
H10 H17A 3.2696 no . .
H10 H17B 2.4511 no . .
H10A H10D 3.5821 no . .
H10A H84 2.7195 no . .
H10A H104 2.3229 no . .
H10B H10D 2.5483 no . .
H10B H10F 3.1648 no . .
H10B H100 2.8428 no . .
H10B H104 2.8577 no . .
H10C H10D 2.8149 no . .
H10C H10E 3.5754 no . .
H10C H10F 2.5410 no . .
H10C H104 2.3818 no . .
H10D H100 2.2675 no . .
H10D H104 2.8604 no . .
H10E H11B 2.4311 no . .
H10E H11C 3.4953 no . .
H10E H100 2.7927 no . .
H10E H104 2.4224 no . .
H10E H112 2.3516 no . .
H10F H97B 3.4050 no . .
H10F H97C 3.3730 no . .
H10F H104 2.3026 no . .
H10F H112 3.2272 no . .
H10G H10K 2.5490 no . .
H10G H10L 3.0889 no . .
H10G H102 2.9146 no . .
H10G H107 2.8744 no . .
H10H H84 2.5222 no . .
H10H H107 2.3708 no . .
H10I H10K 2.9561 no . .
H10I H10L 2.5848 no . .
H10I H107 2.3732 no . .
H10J H102 2.7951 no . .
H10J H107 2.4102 no . .
H10J H115 3.2682 no . .
H10K H102 2.1769 no . .
H10K H107 2.8769 no . .
H10L H102 3.5829 no . .
H10L H107 2.3451 no . .
H11A H11C 2.8283 no . .
H11A H11D 2.2396 no . .
H11A H11E 2.0622 no . .
H11A H11F 3.5453 no . .
H11A H11H 2.6730 no . .
H11A H111 3.5987 no . .
H11A H112 2.8694 no . .
H11B H11C 2.2360 no . .
H11B H11D 2.5107 no . .
H11B H11E 3.5399 no . .
H11B H112 2.3569 no . .
H11C H112 3.1092 no . .
H11C H115 2.2711 no . .
H11D H11E 2.6528 no . .
H11D H115 2.6589 no . .
H11E H11G 2.8233 no . .
H11E H11H 2.2329 no . .
H11E H115 3.5712 no . .
H11E H116 2.8449 no . .
H11F H11G 2.2294 no . .
H11F H11H 2.5056 no . .
H11F H94B 3.5750 no . .
H11F H116 2.3248 no . .
H11G H94B 2.8991 no . .
H11G H111 2.2784 no . .
H11G H116 3.0821 no . .
H11H H111 2.6585 no . .
H12 H13A 2.3469 no . .
H12 H13B 2.8543 no . .
H12 H13C 2.3454 no . .
H12 H14A 2.8605 no . .
H12 H14B 2.4019 no . .
H12 H14C 2.3146 no . .
H12 H27 3.3445 no . .
H13A H14A 3.5767 no . .
H13B H14A 2.5084 no . .
H13B H14B 3.5852 no . .
H13B H14C 3.0708 no . .
H13C H14A 2.9020 no . .
H13C H14B 3.5907 no . .
H13C H14C 2.5435 no . .
H14B H37A 3.2265 no . .
H14B H36 2.9872 no . .
H15 H16A 2.3830 no . .
H15 H16B 2.8680 no . .
H15 H16C 2.3442 no . .
H15 H17A 2.3723 no . .
H15 H17B 2.8401 no . .
H15 H17C 2.2927 no . .
H15 H24 2.6166 no . .
H15 H31 3.5799 no . .
H16A H17A 3.5727 no . .
H16A H17B 2.8666 no . .
H16A H17C 2.5065 no . .
H16B H17B 2.5414 no . .
H16B H17C 3.0965 no . .
H16C H17B 3.5782 no . .
H16C H17C 3.5775 no . .
H17A H24 3.0925 no . .
H17A H26B 3.5633 no . .
H17A H26C 3.3757 no . .
H17A H31 2.6139 no . .
H17A H32 2.7852 no . .
H17C H24 3.1499 no . .
H17C H26C 2.9920 no . .
H20 H21 2.3291 no . .
H20 H24 3.5802 no . .
H20 H25B 2.8463 no . .
H20 H26A 2.2380 no . .
H20 H26B 2.8782 no . .
H21 H22 2.3068 no . .
H22 H27 3.5835 no . .
H22 H28B 2.7989 no . .
H22 H29A 2.8589 no . .
H22 H29B 2.1599 no . .
H22 H29C 3.5845 no . .
H24 H25A 2.3792 no . .
H24 H25B 2.8665 no . .
H24 H25C 2.3429 no . .
H24 H26A 2.8649 no . .
H24 H26B 2.4020 no . .
H24 H26C 2.3226 no . .
H24 H32 2.5184 no . .
H25A H26A 3.5985 no . .
H25B H26A 2.5246 no . .
H25B H26C 3.0608 no . .
H25C H26A 2.9766 no . .
H25C H26C 2.5973 no . .
H26B H33A 2.5889 no . .
H26B H33B 3.4301 no . .
H26B H32 2.4139 no . .
H26C H32 3.4425 no . .
H27 H28A 2.4709 no . .
H27 H28B 2.8269 no . .
H27 H28C 2.2317 no . .
H27 H29A 2.3508 no . .
H27 H29B 2.8335 no . .
H27 H29C 2.2973 no . .
H28A H29A 3.4367 no . .
H28A H29B 2.6456 no . .
H28A H29C 2.3510 no . .
H28B H29B 2.6750 no . .
H28B H29C 3.2141 no . .
H28C H29B 3.5648 no . .
H28C H29C 3.4207 no . .
H29A H35 2.7617 no . .
H33A H34A 2.6648 no . .
H33A H34B 2.0694 no . .
H33A H32 2.2645 no . .
H33A H35 3.3690 no . .
H33B H34A 2.0692 no . .
H33B H34B 2.5375 no . .
H33B H37B 3.5261 no . .
H33B H38A 2.6621 no . .
H33B H32 2.7249 no . .
H34A H37B 2.3828 no . .
H34A H38A 2.9422 no . .
H34A H35 2.7731 no . .
H34A H36 3.5621 no . .
H34B H35 2.2443 no . .
H37A H38A 2.6060 no . .
H37A H38B 2.0338 no . .
H37A H31 3.4956 no . .
H37A H36 2.2545 no . .
H37B H38A 2.0340 no . .
H37B H38B 2.5588 no . .
H37B H36 2.7372 no . .
H38A H31 2.7606 no . .
H38B H31 2.2488 no . .
H43 H44 2.4939 no . .
H43 H53A 3.5375 no . .
H43 H55 2.7038 no . .
H43 H56B 3.5188 no . .
H44 H64 3.3770 no . .
H44 H65A 2.5211 no . .
H44 H67 3.3074 no . .
H44 H68B 2.9005 no . .
H48 H49 2.3195 no . .
H48 H53A 3.5663 no . .
H48 H53B 2.5178 no . .
H48 H54B 2.2951 no . .
H48 H54C 3.1551 no . .
H49 H50 2.2872 no . .
H50 H55 3.5875 no . .
H50 H56A 2.1709 no . .
H50 H56B 3.0475 no . .
H50 H57B 2.7247 no . .
H52 H53A 2.3068 no . .
H52 H53B 2.8413 no . .
H52 H53C 2.3576 no . .
H52 H54A 2.3433 no . .
H52 H54B 2.8665 no . .
H52 H54C 2.3810 no . .
H52 H67 3.5868 no . .
H53A H54A 3.5621 no . .
H53B H54A 3.0633 no . .
H53B H54B 2.5661 no . .
H53C H54A 2.4640 no . .
H53C H54B 2.8899 no . .
H53C H54C 3.5399 no . .
H54A H76 3.1710 no . .
H54C H77A 2.6171 no . .
H54C H76 2.4296 no . .
H55 H56A 2.8671 no . .
H55 H56B 2.3549 no . .
H55 H56C 2.3679 no . .
H55 H57A 2.3029 no . .
H55 H57B 2.8388 no . .
H55 H57C 2.3540 no . .
H55 H64 2.6017 no . .
H55 H65A 3.5938 no . .
H55 H65C 3.5540 no . .
H56A H57B 2.6015 no . .
H56A H57C 2.9322 no . .
H56B H57C 3.5109 no . .
H56C H57A 3.5272 no . .
H56C H57B 3.0071 no . .
H56C H57C 2.4070 no . .
H57A H64 2.5573 no . .
H57A H66B 3.3702 no . .
H57A H66C 3.2257 no . .
H57A H71 2.4128 no . .
H57A H72 2.6073 no . .
H57B H71 3.3226 no . .
H57C H64 2.9085 no . .
H57C H65C 3.5450 no . .
H57C H66C 2.8479 no . .
H60 H61 2.3291 no . .
H60 H64 3.5677 no . .
H60 H65B 2.8741 no . .
H60 H66A 2.1757 no . .
H60 H66B 2.8135 no . .
H60 H66C 3.5823 no . .
H61 H62 2.3195 no . .
H62 H68A 2.6290 no . .
H62 H68B 3.5795 no . .
H62 H69A 3.1067 no . .
H62 H69B 2.2508 no . .
H64 H65A 2.3461 no . .
H64 H65B 2.8610 no . .
H64 H65C 2.3635 no . .
H64 H66A 2.8500 no . .
H64 H66B 2.3767 no . .
H64 H66C 2.3110 no . .
H64 H72 2.4391 no . .
H65A H66A 3.5745 no . .
H65A H66C 3.5757 no . .
H65B H66A 2.5194 no . .
H65B H66B 3.5943 no . .
H65B H66C 3.0529 no . .
H65C H66A 2.8906 no . .
H65C H66B 3.5672 no . .
H65C H66C 2.4969 no . .
H66B H73A 3.2757 no . .
H66B H73B 3.0582 no . .
H66B H72 2.5045 no . .
H66C H72 3.5453 no . .
H67 H68A 2.8711 no . .
H67 H68B 2.3710 no . .
H67 H68C 2.3662 no . .
H67 H69A 2.3786 no . .
H67 H69B 2.8711 no . .
H67 H69C 2.3587 no . .
H68A H69B 2.5485 no . .
H68A H69C 3.0179 no . .
H68C H69B 2.9886 no . .
H68C H69C 2.5345 no . .
H69A H75 2.7333 no . .
H73A H74A 2.5032 no . .
H73A H74B 2.2316 no . .
H73A H78A 2.6861 no . .
H73A H72 2.6503 no . .
H73B H74A 2.2295 no . .
H73B H74B 2.8231 no . .
H73B H72 2.2764 no . .
H73B H75 3.0985 no . .
H74A H78A 3.5635 no . .
H74A H75 2.3342 no . .
H74B H77B 2.5898 no . .
H74B H78A 2.0810 no . .
H74B H78B 3.5434 no . .
H74B H75 2.8524 no . .
H74B H76 3.5799 no . .
H77A H78A 2.8071 no . .
H77A H78B 2.2090 no . .
H77A H71 3.1519 no . .
H77A H76 2.3001 no . .
H77B H78A 2.2114 no . .
H77B H78B 2.5105 no . .
H77B H76 2.6912 no . .
H78A H71 2.8617 no . .
H78A H72 3.5987 no . .
H78B H71 2.3473 no . .
H83 H84 2.4928 no . .
H83 H93A 3.5934 no . .
H83 H95 2.6606 no . .
H83 H96B 3.1754 no . .
H84 H104 3.4496 no . .
H84 H107 3.3390 no . .
H88 H89 2.3096 no . .
H88 H93B 2.5445 no . .
H88 H94A 2.2636 no . .
H88 H94B 3.1119 no . .
H89 H90 2.3013 no . .
H90 H95 3.5935 no . .
H90 H96A 2.2574 no . .
H90 H96B 3.3063 no . .
H90 H97A 2.5471 no . .
H90 H97C 3.5329 no . .
H92 H93A 2.3188 no . .
H92 H93B 2.8589 no . .
H92 H93C 2.3933 no . .
H92 H94A 2.8579 no . .
H92 H94B 2.3723 no . .
H92 H94C 2.3326 no . .
H92 H107 3.3365 no . .
H93A H94C 3.5733 no . .
H93B H94A 2.5964 no . .
H93B H94C 3.1090 no . .
H93C H94A 2.8878 no . .
H93C H94B 3.5630 no . .
H93C H94C 2.4915 no . .
H94B H111 3.4546 no . .
H94B H116 2.4633 no . .
H94C H116 3.4614 no . .
H95 H96A 2.8533 no . .
H95 H96B 2.3087 no . .
H95 H96C 2.3889 no . .
H95 H97A 2.8559 no . .
H95 H97B 2.3596 no . .
H95 H97C 2.3369 no . .
H95 H104 2.8658 no . .
H95 H111 3.5511 no . .
H96A H97A 2.6497 no . .
H96A H97B 3.0508 no . .
H96B H97B 3.5311 no . .
H96C H97A 2.9395 no . .
H96C H97B 2.4228 no . .
H96C H97C 3.5291 no . .
H97A H111 3.5472 no . .
H97B H104 3.3979 no . .
H97C H104 2.9668 no . .
H97C H111 2.5839 no . .
H97C H112 2.7269 no . .
H100 H101 2.3030 no . .
H100 H104 3.5779 no . .
H101 H102 2.2860 no . .
H102 H107 3.5859 no . .
H104 H112 2.4127 no . .
H31 H32 2.2716 no . .
H35 H36 2.2322 no . .
H71 H72 2.3014 no . .
H75 H76 2.2594 no . .
H111 H112 2.2915 no . .
H115 H116 2.2542 no . .
F1 H44 2.1421 no . .
F1 H65A 2.6671 no . .
F41 H10A 3.2010 no . .
F41 H84 3.2931 no . .
F81 H4 2.1497 no . 4_564
F81 H25A 2.8396 no . 4_564
O1 H10 3.0228 no . 3_645
O1 H10H 2.8984 no . .
O1 H17B 2.5785 no . 3_645
O1 H21 2.7223 no . 3_545
O1 H54A 2.7643 no . .
O1 H54C 3.3860 no . .
O1 H69A 3.3469 no . .
O1 H84 2.3254 no . .
O1 H75 3.3942 no . .
O1 H76 2.5390 no . .
C3 H10J 3.0022 no . 4_565
C3 H10L 3.4034 no . 4_565
C4 H10J 3.0455 no . 4_565
C4 H10L 3.3392 no . 4_565
C8 H56A 3.4952 no . 1_655
C8 H56B 3.2126 no . 1_655
C9 H22 3.3701 no . 1_655
C9 H56B 3.3603 no . 1_655
C10 H22 3.5179 no . 1_655
C13 H11A 3.0430 no . 3_645
C13 H11E 3.0921 no . 3_645
C13 H65B 3.2300 no . .
C14 H68B 3.3644 no . .
C15 H10L 3.5792 no . 4_565
C16 H10K 3.2992 no . 4_565
C16 H10L 3.4580 no . 4_565
C16 H88 2.8994 no . 4_665
C17 H83 2.8546 no . 3_655
C18 H94C 2.9362 no . 4_565
C19 H93C 3.5867 no . 4_565
C19 H94C 3.0110 no . 4_565
C20 H10G 3.5256 no . 3_555
C20 H54A 3.4373 no . 3_555
C20 H54B 3.3456 no . 3_555
C20 H93C 3.0995 no . 4_565
C20 H94C 3.1264 no . 4_565
C21 H54A 3.3222 no . 3_555
C21 H54C 3.4154 no . 3_555
C21 H77A 3.5946 no . 3_555
C21 H93C 3.5757 no . 4_565
C21 H94A 3.5630 no . 4_565
C21 H94C 3.1752 no . 4_565
C21 H76 3.4199 no . 3_555
C22 H77A 3.3872 no . 3_555
C22 H77B 3.5053 no . 3_555
C22 H94A 3.4244 no . 4_565
C22 H94C 3.0823 no . 4_565
C23 H94C 2.9750 no . 4_565
C25 H10L 2.9999 no . 4_565
C25 H92 3.5582 no . 4_565
C25 H93C 3.1733 no . 4_565
C25 H94C 3.4757 no . 4_565
C25 H107 3.4544 no . 4_565
C26 H96B 3.3410 no . 3_655
C28 H11F 3.5085 no . 4_565
C28 H94B 3.3066 no . 4_565
C28 H94C 3.4046 no . 4_565
C28 H116 3.0607 no . 4_565
C29 H43 3.0876 no . .
C29 H44 3.5096 no . .
C29 H55 3.2890 no . .
C29 H56B 3.1118 no . .
C29 H56C 3.4044 no . .
C29 H65A 3.4467 no . .
C29 H77B 3.1720 no . 3_555
C31 H69A 3.3609 no . 3_655
C31 H69B 3.3339 no . 3_655
C32 H69B 3.2826 no . 3_655
C33 H48 3.0841 no . 3_555
C33 H49 3.5078 no . 3_555
C33 H54B 3.5120 no . 3_555
C33 H69B 3.1244 no . 3_655
C33 H96B 3.5204 no . 3_655
C34 H10D 3.3658 no . .
C34 H10F 3.4730 no . .
C34 H48 3.5862 no . 3_555
C34 H77A 3.0849 no . 3_555
C34 H78B 3.1510 no . 3_555
C35 H10D 3.4691 no . .
C35 H10F 3.4435 no . .
C35 H77A 3.1817 no . 3_555
C35 H78B 3.0346 no . 3_555
C36 H10C 3.1537 no . .
C36 H10F 3.2452 no . .
C36 H44 3.2813 no . .
C36 H68B 2.9853 no . .
C37 H10F 3.0627 no . .
C37 H68B 3.3136 no . .
C37 H97B 3.5453 no . .
C38 H62 3.3801 no . 3_655
C38 H69A 3.0858 no . 3_655
C38 H69B 3.2173 no . 3_655
C38 H74A 3.3407 no . 3_655
C38 H75 3.1939 no . 3_655
C43 H10B 3.4743 no . .
C43 H29A 3.0324 no . .
C43 H29C 3.2030 no . .
C44 H29A 3.2439 no . .
C44 H29C 3.3088 no . .
C44 H36 3.2234 no . .
C48 H33A 3.2248 no . 3_545
C48 H33B 3.1457 no . 3_545
C48 H34A 3.5449 no . 3_545
C48 H34B 3.2759 no . 3_545
C48 H96A 3.3875 no . 1_455
C48 H96C 3.2946 no . 1_455
C49 H33B 3.1739 no . 3_545
C49 H34A 3.2024 no . 3_545
C49 H34B 3.5280 no . 3_545
C49 H62 3.2544 no . 1_455
C49 H68A 3.3976 no . 1_455
C49 H96C 3.5593 no . 1_455
C50 H14A 3.5833 no . 1_455
C53 H10A 3.5919 no . .
C53 H10B 3.1119 no . .
C53 H73A 3.3235 no . 3_555
C53 H78A 3.5075 no . 3_555
C53 H96A 3.4579 no . 1_455
C54 H20 3.4120 no . 3_545
C54 H21 3.3101 no . 3_545
C54 H33A 3.3223 no . 3_545
C55 H29C 3.2904 no . .
C56 H8 3.1261 no . 1_455
C56 H11C 3.5681 no . 3_545
C56 H11D 3.3381 no . 3_545
C56 H29B 3.1494 no . .
C56 H29C 3.1599 no . .
C57 H11B 3.5400 no . 3_545
C57 H11C 2.9562 no . 3_545
C57 H100 3.1308 no . 3_545
C57 H101 3.5465 no . 3_545
C58 H14C 3.1948 no . .
C59 H14C 3.0172 no . .
C60 H14C 2.9844 no . .
C60 H97A 3.3528 no . 3_645
C60 H97C 3.2068 no . 3_645
C61 H10F 3.5060 no . 3_645
C61 H11B 3.5584 no . 3_645
C61 H14A 3.5966 no . .
C61 H14C 3.1559 no . .
C61 H37B 3.3651 no . 3_645
C61 H38A 3.5799 no . 3_645
C61 H97C 3.3707 no . 3_645
C62 H14C 3.3178 no . .
C62 H37B 3.3851 no . 3_645
C62 H38A 2.8332 no . 3_645
C62 H49 3.1185 no . 1_655
C63 H14C 3.3533 no . .
C63 H38A 3.3652 no . 3_645
C65 H13C 3.1930 no . .
C65 H14C 3.2600 no . .
C65 H29C 3.2531 no . .
C66 H97A 3.5213 no . 3_645
C66 H101 2.9840 no . 3_545
C67 H10A 3.3162 no . .
C67 H10C 3.2536 no . .
C68 H10A 3.5689 no . .
C68 H10C 2.8789 no . .
C68 H14B 3.3111 no . .
C68 H37A 3.1661 no . .
C68 H49 3.5373 no . 1_655
C68 H96C 3.0415 no . .
C68 H36 3.1611 no . .
C69 H33B 3.2351 no . 3_645
C69 H38A 2.8136 no . 3_645
C69 H83 3.5251 no . .
C69 H96B 3.5191 no . .
C71 H10D 3.4778 no . 3_545
C71 H100 2.9481 no . 3_545
C72 H100 3.3899 no . 3_545
C72 H101 3.5828 no . 3_545
C73 H97A 3.1678 no . 3_645
C74 H38B 3.1225 no . 3_645
C75 H9 3.1853 no . 3_645
C75 H38B 3.0071 no . 3_645
C76 H9 3.1590 no . 3_645
C76 H22 3.5274 no . 3_545
C77 H22 3.4839 no . 3_545
C77 H29A 3.3484 no . 3_545
C77 H34B 3.0897 no . 3_545
C77 H43 3.4780 no . 3_545
C77 H35 3.1607 no . 3_545
C78 H10B 3.4289 no . 3_545
C78 H10D 3.2387 no . 3_545
C78 H34B 3.1803 no . 3_545
C78 H43 3.4697 no . 3_545
C78 H53A 3.4271 no . 3_545
C78 H100 3.2812 no . 3_545
C78 H35 3.3932 no . 3_545
C83 H17A 3.5449 no . 3_645
C83 H17B 3.3622 no . 3_645
C83 H17C 3.1136 no . 3_645
C83 H69C 3.0041 no . .
C84 H17B 3.5529 no . 3_645
C84 H69C 3.1804 no . .
C86 H26C 3.2647 no . 3_645
C87 H26C 3.3708 no . 3_645
C88 H16B 3.5358 no . 4_664
C88 H16C 3.4174 no . 4_664
C89 H10K 3.5089 no . 1_655
C89 H26A 3.4479 no . 3_645
C89 H102 3.1867 no . 1_655
C90 H26A 3.4495 no . 3_645
C90 H102 3.4947 no . 1_655
C91 H26C 3.4369 no . 3_645
C92 H25A 3.5530 no . 4_564
C93 H10I 3.1306 no . 2_555
C93 H25B 3.1826 no . 4_564
C93 H25C 3.2626 no . 3_645
C93 H26C 3.5395 no . 3_645
C94 H25A 3.5951 no . 4_564
C94 H28B 2.9957 no . 4_564
C94 H28C 3.5031 no . 4_564
C95 H68C 3.3835 no . .
C96 H26B 3.5113 no . 3_645
C96 H48 2.8560 no . 1_655
C96 H53B 3.3882 no . 1_655
C96 H68A 3.4349 no . .
C96 H68C 3.3541 no . .
C96 H69B 3.5645 no . .
C96 H69C 3.5261 no . .
C97 H60 3.2755 no . 3_655
C97 H68C 3.5142 no . .
C97 H73B 3.1417 no . 3_655
C98 H53C 3.2619 no . .
C99 H53C 3.1110 no . .
C100 H53A 3.2058 no . .
C100 H53C 2.9165 no . .
C100 H57A 3.2830 no . 3_555
C100 H57B 3.1637 no . 3_555
C101 H53A 3.5414 no . .
C101 H53B 3.5982 no . .
C101 H53C 2.9274 no . .
C101 H57A 3.4985 no . 3_555
C101 H57C 3.5895 no . 3_555
C101 H66B 3.4061 no . 3_555
C101 H66C 3.4435 no . 3_555
C102 H53C 3.0642 no . .
C102 H89 3.3286 no . 1_455
C102 H90 3.5859 no . 1_455
C103 H53C 3.2511 no . .
C105 H52 3.4733 no . .
C105 H53A 3.3276 no . .
C105 H53C 3.4781 no . .
C105 H67 3.0305 no . .
C105 H68C 3.0936 no . .
C105 H78B 3.5814 no . 3_555
C106 H34A 3.1641 no . .
C106 H37B 3.1920 no . .
C106 H57B 3.4249 no . 3_555
C106 H61 3.1611 no . 3_655
C106 H78B 3.3376 no . 3_555
C107 H25A 3.5302 no . 4_564
C108 H20 3.1778 no . 3_545
C108 H54A 3.3480 no . .
C108 H93C 3.5874 no . 2_455
C109 H3 3.2587 no . 4_564
C109 H4 3.3229 no . 4_564
C109 H15 3.4831 no . 4_564
C109 H16A 3.4095 no . 4_564
C109 H16C 3.4215 no . 4_564
C109 H25A 3.2943 no . 4_564
C109 H25C 3.3704 no . 4_564
C109 H89 3.5942 no . 1_455
C111 H60 3.0789 no . 3_655
C112 H60 3.2190 no . 3_655
C112 H61 3.3395 no . 3_655
C113 H13B 3.2920 no . 3_655
C113 H56A 3.3191 no . 3_555
C113 H57B 3.3742 no . 3_555
C113 H61 3.4410 no . 3_655
C114 H56A 3.2735 no . 3_555
C114 H56C 3.5628 no . 3_555
C114 H57B 3.2294 no . 3_555
C114 H57C 3.4325 no . 3_555
C116 H28C 3.0184 no . 4_564
C117 H13C 3.5741 no . 3_655
C118 H60 3.4513 no . 3_655
C118 H66A 3.3825 no . 3_655
H3 C109 3.2587 no . 4_565
H3 H10J 2.5741 no . 4_565
H3 H10K 3.4642 no . 4_565
H3 H10L 3.2754 no . 4_565
H4 F81 2.1497 no . 4_565
H4 C109 3.3229 no . 4_565
H4 H10J 2.6679 no . 4_565
H4 H10L 3.1431 no . 4_565
H4 H94C 3.1704 no . 4_565
H4 H115 3.2484 no . 4_565
H4 H116 3.0045 no . 4_565
H8 C56 3.1261 no . 1_655
H8 H50 3.3956 no . 1_655
H8 H56A 2.7561 no . 1_655
H8 H56B 2.6188 no . 1_655
H9 C75 3.1853 no . 3_655
H9 C76 3.1590 no . 3_655
H9 H22 2.7261 no . 1_655
H9 H29B 2.9075 no . 1_655
H9 H56B 2.9253 no . 1_655
H9 H74B 3.5026 no . 3_655
H9 H77B 3.1914 no . 3_655
H9 H75 3.4224 no . 3_655
H9 H76 3.3446 no . 3_655
H10 O1 3.0228 no . 3_655
H10 H21 3.1454 no . 1_655
H10 H22 3.0133 no . 1_655
H10 H76 3.5014 no . 3_655
H10A F41 3.2010 no . .
H10A C53 3.5919 no . .
H10A C67 3.3162 no . .
H10A C68 3.5689 no . .
H10A H52 2.9677 no . .
H10A H53A 3.3853 no . .
H10A H53C 3.2070 no . .
H10A H67 2.5590 no . .
H10A H68C 3.0631 no . .
H10A H69C 3.2104 no . .
H10B C43 3.4743 no . .
H10B C53 3.1119 no . .
H10B C78 3.4289 no . 3_555
H10B H43 3.4521 no . .
H10B H52 3.0785 no . .
H10B H53A 2.5012 no . .
H10B H53C 3.0105 no . .
H10B H67 3.4646 no . .
H10B H78A 3.0881 no . 3_555
H10B H78B 2.8485 no . 3_555
H10C C36 3.1537 no . .
H10C C67 3.2536 no . .
H10C C68 2.8789 no . .
H10C H37B 3.4787 no . .
H10C H44 3.5995 no . .
H10C H67 2.6825 no . .
H10C H68B 2.7761 no . .
H10C H68C 2.3734 no . .
H10C H36 2.9577 no . .
H10D C34 3.3658 no . .
H10D C35 3.4691 no . .
H10D C71 3.4778 no . 3_555
H10D C78 3.2387 no . 3_555
H10D H34A 2.8042 no . .
H10D H34B 3.3185 no . .
H10D H37B 3.4691 no . .
H10D H57B 3.2423 no . 3_555
H10D H78A 3.6000 no . 3_555
H10D H78B 2.4019 no . 3_555
H10D H71 3.2510 no . 3_555
H10E H34A 3.5507 no . .
H10E H50 3.4596 no . 3_555
H10E H57B 2.7537 no . 3_555
H10E H61 2.7733 no . 3_655
H10F C34 3.4730 no . .
H10F C35 3.4435 no . .
H10F C36 3.2452 no . .
H10F C37 3.0627 no . .
H10F C61 3.5060 no . 3_655
H10F H34A 2.7127 no . .
H10F H37A 3.4252 no . .
H10F H37B 2.2395 no . .
H10F H61 2.6602 no . 3_655
H10G C20 3.5256 no . 3_545
H10G H20 2.6400 no . 3_545
H10G H26A 3.3450 no . 3_545
H10G H53C 3.4857 no . .
H10G H54A 3.0773 no . .
H10H O1 2.8984 no . .
H10H H20 3.2989 no . 3_545
H10H H21 3.2733 no . 3_545
H10H H53C 3.4591 no . .
H10H H54A 2.7303 no . .
H10I C93 3.1306 no . 2_455
H10I H20 3.0976 no . 3_545
H10I H21 3.5705 no . 3_545
H10I H25C 3.0405 no . 4_564
H10I H93A 3.3160 no . 2_455
H10I H93B 2.8325 no . 2_455
H10I H93C 2.7511 no . 2_455
H10J C3 3.0022 no . 4_564
H10J C4 3.0455 no . 4_564
H10J H3 2.5741 no . 4_564
H10J H4 2.6679 no . 4_564
H10J H15 3.5358 no . 4_564
H10J H16C 3.5526 no . 4_564
H10J H25A 3.3505 no . 4_564
H10K C16 3.2992 no . 4_564
H10K C89 3.5089 no . 1_455
H10K H3 3.4642 no . 4_564
H10K H15 3.5545 no . 4_564
H10K H16A 2.9034 no . 4_564
H10K H16C 2.8611 no . 4_564
H10K H89 2.6363 no . 1_455
H10L C3 3.4034 no . 4_564
H10L C4 3.3392 no . 4_564
H10L C15 3.5792 no . 4_564
H10L C16 3.4580 no . 4_564
H10L C25 2.9999 no . 4_564
H10L H3 3.2754 no . 4_564
H10L H4 3.1431 no . 4_564
H10L H15 2.8444 no . 4_564
H10L H16A 3.0289 no . 4_564
H10L H16C 3.3286 no . 4_564
H10L H24 3.3396 no . 4_564
H10L H25A 2.6718 no . 4_564
H10L H25C 2.5171 no . 4_564
H11A C13 3.0430 no . 3_655
H11A H13B 2.4327 no . 3_655
H11A H13C 2.7948 no . 3_655
H11A H14A 3.1867 no . 3_655
H11A H56A 3.4073 no . 3_555
H11A H60 3.3333 no . 3_655
H11A H61 3.5566 no . 3_655
H11B C57 3.5400 no . 3_555
H11B C61 3.5584 no . 3_655
H11B H13B 3.5536 no . 3_655
H11B H14A 3.3566 no . 3_655
H11B H50 2.8134 no . 3_555
H11B H56A 2.7917 no . 3_555
H11B H57B 2.6831 no . 3_555
H11B H61 2.9099 no . 3_655
H11C C56 3.5681 no . 3_555
H11C C57 2.9562 no . 3_555
H11C H56A 3.1709 no . 3_555
H11C H56C 3.2908 no . 3_555
H11C H57B 2.4787 no . 3_555
H11C H57C 2.5804 no . 3_555
H11D C56 3.3381 no . 3_555
H11D H13B 3.1234 no . 3_655
H11D H56A 2.8354 no . 3_555
H11D H56C 2.9555 no . 3_555
H11D H57B 3.4950 no . 3_555
H11D H57C 3.4628 no . 3_555
H11E C13 3.0921 no . 3_655
H11E H13A 3.2867 no . 3_655
H11E H13B 2.6849 no . 3_655
H11E H13C 2.8208 no . 3_655
H11F C28 3.5085 no . 4_564
H11F H28A 3.2914 no . 4_564
H11F H28B 3.4748 no . 4_564
H11F H28C 3.1837 no . 4_564
H11G H66A 3.4281 no . 3_655
H11H H13C 2.9137 no . 3_655
H11H H60 2.8520 no . 3_655
H11H H65B 2.8650 no . 3_655
H11H H66A 2.6995 no . 3_655
H12 H65A 3.1180 no . .
H12 H65B 3.3516 no . .
H13A H11E 3.2867 no . 3_645
H13B C113 3.2920 no . 3_645
H13B H11A 2.4327 no . 3_645
H13B H11B 3.5536 no . 3_645
H13B H11D 3.1234 no . 3_645
H13B H11E 2.6849 no . 3_645
H13B H56A 3.4706 no . 1_655
H13C C65 3.1930 no . .
H13C C117 3.5741 no . 3_645
H13C H11A 2.7948 no . 3_645
H13C H11E 2.8208 no . 3_645
H13C H11H 2.9137 no . 3_645
H13C H65A 3.2831 no . .
H13C H65B 2.3281 no . .
H14A C50 3.5833 no . 1_655
H14A C61 3.5966 no . .
H14A H11A 3.1867 no . 3_645
H14A H11B 3.3566 no . 3_645
H14A H50 2.8301 no . 1_655
H14A H56A 3.0962 no . 1_655
H14B C68 3.3111 no . .
H14B H68A 3.1083 no . .
H14B H68B 2.6414 no . .
H14C C58 3.1948 no . .
H14C C59 3.0172 no . .
H14C C60 2.9844 no . .
H14C C61 3.1559 no . .
H14C C62 3.3178 no . .
H14C C63 3.3533 no . .
H14C C65 3.2600 no . .
H14C H44 3.3979 no . .
H14C H60 3.4080 no . .
H14C H65A 2.8918 no . .
H14C H65B 2.8931 no . .
H14C H68B 3.2398 no . .
H15 C109 3.4831 no . 4_565
H15 H10J 3.5358 no . 4_565
H15 H10K 3.5545 no . 4_565
H15 H10L 2.8444 no . 4_565
H16A C109 3.4095 no . 4_565
H16A H10K 2.9034 no . 4_565
H16A H10L 3.0289 no . 4_565
H16A H88 2.9582 no . 4_665
H16A H89 3.5571 no . 4_665
H16B C88 3.5358 no . 4_665
H16B H88 2.6181 no . 4_665
H16B H93B 3.2635 no . 4_665
H16B H94A 3.1534 no . 4_665
H16C C88 3.4174 no . 4_665
H16C C109 3.4215 no . 4_565
H16C H10J 3.5526 no . 4_565
H16C H10K 2.8611 no . 4_565
H16C H10L 3.3286 no . 4_565
H16C H88 2.6387 no . 4_665
H16C H89 3.1634 no . 4_665
H17A C83 3.5449 no . 3_655
H17A H83 2.7102 no . 3_655
H17B O1 2.5785 no . 3_655
H17B C83 3.3622 no . 3_655
H17B C84 3.5529 no . 3_655
H17B H83 2.8645 no . 3_655
H17B H84 3.2633 no . 3_655
H17C C83 3.1136 no . 3_655
H17C H83 2.5107 no . 3_655
H17C H93A 2.7528 no . 3_655
H20 C54 3.4120 no . 3_555
H20 C108 3.1778 no . 3_555
H20 H10G 2.6400 no . 3_555
H20 H10H 3.2989 no . 3_555
H20 H10I 3.0976 no . 3_555
H20 H54A 3.0383 no . 3_555
H20 H54B 3.0090 no . 3_555
H20 H93C 2.9582 no . 4_565
H21 O1 2.7223 no . 3_555
H21 C54 3.3101 no . 3_555
H21 H10 3.1454 no . 1_455
H21 H10H 3.2733 no . 3_555
H21 H10I 3.5705 no . 3_555
H21 H54A 2.8012 no . 3_555
H21 H54B 3.5234 no . 3_555
H21 H54C 3.1060 no . 3_555
H21 H76 2.8866 no . 3_555
H22 C9 3.3701 no . 1_455
H22 C10 3.5179 no . 1_455
H22 C76 3.5274 no . 3_555
H22 C77 3.4839 no . 3_555
H22 H9 2.7261 no . 1_455
H22 H10 3.0133 no . 1_455
H22 H77A 3.3269 no . 3_555
H22 H77B 3.0621 no . 3_555
H22 H94A 3.5858 no . 4_565
H22 H76 3.3005 no . 3_555
H24 H10L 3.3396 no . 4_565
H25A F81 2.8396 no . 4_565
H25A C92 3.5530 no . 4_565
H25A C94 3.5951 no . 4_565
H25A C107 3.5302 no . 4_565
H25A C109 3.2943 no . 4_565
H25A H10J 3.3505 no . 4_565
H25A H10L 2.6718 no . 4_565
H25A H92 2.9525 no . 4_565
H25A H93C 3.1715 no . 4_565
H25A H94C 2.8931 no . 4_565
H25A H107 2.8797 no . 4_565
H25B C93 3.1826 no . 4_565
H25B H92 3.2602 no . 4_565
H25B H93A 3.3264 no . 4_565
H25B H93C 2.4013 no . 4_565
H25B H94C 3.3722 no . 4_565
H25C C93 3.2626 no . 3_655
H25C C109 3.3704 no . 4_565
H25C H10I 3.0405 no . 4_565
H25C H10L 2.5171 no . 4_565
H25C H93A 2.8458 no . 3_655
H25C H93B 2.8135 no . 3_655
H25C H107 3.2155 no . 4_565
H26A C89 3.4479 no . 3_655
H26A C90 3.4495 no . 3_655
H26A H10G 3.3450 no . 3_555
H26A H96B 3.5390 no . 3_655
H26B C96 3.5113 no . 3_655
H26B H54B 3.3813 no . 3_555
H26B H96A 3.5643 no . 3_655
H26B H96B 2.6772 no . 3_655
H26C C86 3.2647 no . 3_655
H26C C87 3.3708 no . 3_655
H26C C91 3.4369 no . 3_655
H26C C93 3.5395 no . 3_655
H26C H83 3.0701 no . 3_655
H26C H93A 2.8670 no . 3_655
H26C H93B 3.4735 no . 3_655
H26C H96B 3.3278 no . 3_655
H27 H65A 3.1172 no . .
H27 H65C 3.5457 no . .
H28A H11F 3.2914 no . 4_565
H28A H56C 3.2482 no . .
H28A H65C 3.2560 no . .
H28A H116 3.4328 no . 4_565
H28B C94 2.9957 no . 4_565
H28B H11F 3.4748 no . 4_565
H28B H94A 2.8642 no . 4_565
H28B H94B 2.7269 no . 4_565
H28B H94C 2.8850 no . 4_565
H28B H116 3.1712 no . 4_565
H28C C94 3.5031 no . 4_565
H28C C116 3.0184 no . 4_565
H28C H11F 3.1837 no . 4_565
H28C H94B 2.9953 no . 4_565
H28C H94C 3.2219 no . 4_565
H28C H116 2.2340 no . 4_565
H29A C43 3.0324 no . .
H29A C44 3.2439 no . .
H29A C77 3.3484 no . 3_555
H29A H43 2.4931 no . .
H29A H44 2.9436 no . .
H29A H55 3.4974 no . .
H29A H56B 3.5462 no . .
H29A H65A 3.5596 no . .
H29A H77A 3.2825 no . 3_555
H29A H77B 2.5438 no . 3_555
H29B C56 3.1494 no . .
H29B H9 2.9075 no . 1_455
H29B H43 3.3117 no . .
H29B H55 3.3732 no . .
H29B H56B 2.4940 no . .
H29B H56C 3.0275 no . .
H29B H77B 2.9231 no . 3_555
H29C C43 3.2030 no . .
H29C C44 3.3088 no . .
H29C C55 3.2904 no . .
H29C C56 3.1599 no . .
H29C C65 3.2531 no . .
H29C H43 2.9998 no . .
H29C H44 3.2010 no . .
H29C H55 2.5502 no . .
H29C H56B 2.9128 no . .
H29C H56C 2.8792 no . .
H29C H65A 2.7370 no . .
H29C H65C 2.9195 no . .
H33A C48 3.2248 no . 3_555
H33A C54 3.3223 no . 3_555
H33A H48 2.6590 no . 3_555
H33A H54B 2.5913 no . 3_555
H33A H54C 3.1985 no . 3_555
H33A H77A 3.5861 no . 3_555
H33A H96B 3.2260 no . 3_655
H33B C48 3.1457 no . 3_555
H33B C49 3.1739 no . 3_555
H33B C69 3.2351 no . 3_655
H33B H48 2.6992 no . 3_555
H33B H49 2.7393 no . 3_555
H33B H62 2.8285 no . 3_655
H33B H69A 3.5844 no . 3_655
H33B H69B 2.2766 no . 3_655
H33B H96B 2.9956 no . 3_655
H33B H96C 3.5436 no . 3_655
H34A C48 3.5449 no . 3_555
H34A C49 3.2024 no . 3_555
H34A C106 3.1641 no . .
H34A H10D 2.8042 no . .
H34A H10E 3.5507 no . .
H34A H10F 2.7127 no . .
H34A H49 3.0286 no . 3_555
H34A H62 2.9887 no . 3_655
H34A H78B 3.3046 no . 3_555
H34B C48 3.2759 no . 3_555
H34B C49 3.5280 no . 3_555
H34B C77 3.0897 no . 3_555
H34B C78 3.1803 no . 3_555
H34B H10D 3.3185 no . .
H34B H48 3.3036 no . 3_555
H34B H54B 3.4118 no . 3_555
H34B H54C 3.0127 no . 3_555
H34B H77A 2.2790 no . 3_555
H34B H78B 2.5942 no . 3_555
H34B H71 3.3779 no . 3_555
H37A C68 3.1661 no . .
H37A H10F 3.4252 no . .
H37A H68A 3.3116 no . .
H37A H68B 2.7053 no . .
H37A H68C 2.9802 no . .
H37A H74A 2.9568 no . 3_655
H37A H97B 2.9942 no . .
H37B C61 3.3651 no . 3_655
H37B C62 3.3851 no . 3_655
H37B C106 3.1920 no . .
H37B H10C 3.4787 no . .
H37B H10D 3.4691 no . .
H37B H10F 2.2395 no . .
H37B H61 3.0244 no . 3_655
H37B H62 3.0747 no . 3_655
H37B H97B 3.1355 no . .
H38A C61 3.5799 no . 3_655
H38A C62 2.8332 no . 3_655
H38A C63 3.3652 no . 3_655
H38A C69 2.8136 no . 3_655
H38A H62 2.4446 no . 3_655
H38A H69A 2.4284 no . 3_655
H38A H69B 2.3855 no . 3_655
H38A H75 3.1640 no . 3_655
H38B C74 3.1225 no . 3_655
H38B C75 3.0071 no . 3_655
H38B H69A 3.0926 no . 3_655
H38B H73B 3.5690 no . 3_655
H38B H74A 2.4562 no . 3_655
H38B H75 2.3895 no . 3_655
H43 C29 3.0876 no . .
H43 C77 3.4780 no . 3_555
H43 C78 3.4697 no . 3_555
H43 H10B 3.4521 no . .
H43 H29A 2.4931 no . .
H43 H29B 3.3117 no . .
H43 H29C 2.9998 no . .
H43 H77B 2.7104 no . 3_555
H43 H78A 2.9699 no . 3_555
H43 H78B 3.4431 no . 3_555
H43 H35 3.4080 no . .
H44 F1 2.1421 no . .
H44 C29 3.5096 no . .
H44 C36 3.2813 no . .
H44 H10C 3.5995 no . .
H44 H14C 3.3979 no . .
H44 H29A 2.9436 no . .
H44 H29C 3.2010 no . .
H44 H35 3.1430 no . .
H44 H36 2.4541 no . .
H48 C33 3.0841 no . 3_545
H48 C34 3.5862 no . 3_545
H48 C96 2.8560 no . 1_455
H48 H33A 2.6590 no . 3_545
H48 H33B 2.6992 no . 3_545
H48 H34B 3.3036 no . 3_545
H48 H96A 2.5895 no . 1_455
H48 H96B 2.8275 no . 1_455
H48 H96C 2.6670 no . 1_455
H49 C33 3.5078 no . 3_545
H49 C62 3.1185 no . 1_455
H49 C68 3.5373 no . 1_455
H49 H33B 2.7393 no . 3_545
H49 H34A 3.0286 no . 3_545
H49 H62 2.3869 no . 1_455
H49 H68A 2.5828 no . 1_455
H49 H69B 3.2887 no . 1_455
H49 H96C 3.1867 no . 1_455
H50 H8 3.3956 no . 1_455
H50 H10E 3.4596 no . 3_545
H50 H11B 2.8134 no . 3_545
H50 H14A 2.8301 no . 1_455
H50 H61 3.5319 no . 1_455
H52 C105 3.4733 no . .
H52 H10A 2.9677 no . .
H52 H10B 3.0785 no . .
H53A C78 3.4271 no . 3_555
H53A C100 3.2058 no . .
H53A C101 3.5414 no . .
H53A C105 3.3276 no . .
H53A H10A 3.3853 no . .
H53A H10B 2.5012 no . .
H53A H73A 2.9196 no . 3_555
H53A H74B 3.4478 no . 3_555
H53A H78A 2.5558 no . 3_555
H53A H78B 3.5634 no . 3_555
H53A H100 3.1718 no . .
H53B C96 3.3882 no . 1_455
H53B C101 3.5982 no . .
H53B H73A 2.8409 no . 3_555
H53B H90 3.3511 no . 1_455
H53B H96A 2.4862 no . 1_455
H53B H96C 3.5729 no . 1_455
H53C C98 3.2619 no . .
H53C C99 3.1110 no . .
H53C C100 2.9165 no . .
H53C C101 2.9274 no . .
H53C C102 3.0642 no . .
H53C C103 3.2511 no . .
H53C C105 3.4781 no . .
H53C H10A 3.2070 no . .
H53C H10B 3.0105 no . .
H53C H10G 3.4857 no . .
H53C H10H 3.4591 no . .
H53C H100 3.3513 no . .
H53C H101 3.4009 no . .
H53C H102 3.5716 no . .
H54A O1 2.7643 no . .
H54A C20 3.4373 no . 3_545
H54A C21 3.3222 no . 3_545
H54A C108 3.3480 no . .
H54A H10G 3.0773 no . .
H54A H10H 2.7303 no . .
H54A H20 3.0383 no . 3_545
H54A H21 2.8012 no . 3_545
H54A H84 3.5592 no . .
H54B C20 3.3456 no . 3_545
H54B C33 3.5120 no . 3_545
H54B H20 3.0090 no . 3_545
H54B H21 3.5234 no . 3_545
H54B H26B 3.3813 no . 3_545
H54B H33A 2.5913 no . 3_545
H54B H34B 3.4118 no . 3_545
H54B H96A 3.4111 no . 1_455
H54C O1 3.3860 no . .
H54C C21 3.4154 no . 3_545
H54C H21 3.1060 no . 3_545
H54C H33A 3.1985 no . 3_545
H54C H34B 3.0126 no . 3_545
H55 C29 3.2890 no . .
H55 H29A 3.4974 no . .
H55 H29B 3.3732 no . .
H55 H29C 2.5502 no . .
H56A C8 3.4952 no . 1_455
H56A C113 3.3191 no . 3_545
H56A C114 3.2735 no . 3_545
H56A H8 2.7561 no . 1_455
H56A H11A 3.4073 no . 3_545
H56A H11B 2.7917 no . 3_545
H56A H11C 3.1709 no . 3_545
H56A H11D 2.8354 no . 3_545
H56A H13B 3.4706 no . 1_455
H56A H14A 3.0962 no . 1_455
H56B C8 3.2126 no . 1_455
H56B C9 3.3603 no . 1_455
H56B C29 3.1118 no . .
H56B H8 2.6188 no . 1_455
H56B H9 2.9253 no . 1_455
H56B H29A 3.5462 no . .
H56B H29B 2.4940 no . .
H56B H29C 2.9128 no . .
H56C C29 3.4044 no . .
H56C C114 3.5628 no . 3_545
H56C H11C 3.2908 no . 3_545
H56C H11D 2.9555 no . 3_545
H56C H28A 3.2482 no . .
H56C H29B 3.0275 no . .
H56C H29C 2.8792 no . .
H57A C100 3.2830 no . 3_545
H57A C101 3.4985 no . 3_545
H57A H100 2.7101 no . 3_545
H57A H101 3.1055 no . 3_545
H57B C100 3.1637 no . 3_545
H57B C106 3.4249 no . 3_545
H57B C113 3.3742 no . 3_545
H57B C114 3.2294 no . 3_545
H57B H10D 3.2423 no . 3_545
H57B H10E 2.7537 no . 3_545
H57B H11B 2.6831 no . 3_545
H57B H11C 2.4787 no . 3_545
H57B H11D 3.4950 no . 3_545
H57B H100 2.7713 no . 3_545
H57C C101 3.5895 no . 3_545
H57C C114 3.4325 no . 3_545
H57C H11C 2.5804 no . 3_545
H57C H11D 3.4628 no . 3_545
H57C H100 3.4675 no . 3_545
H57C H101 3.2970 no . 3_545
H60 C97 3.2755 no . 3_645
H60 C111 3.0789 no . 3_645
H60 C112 3.2190 no . 3_645
H60 C118 3.4513 no . 3_645
H60 H11A 3.3333 no . 3_645
H60 H11H 2.8520 no . 3_645
H60 H14C 3.4080 no . .
H60 H97A 2.9982 no . 3_645
H60 H97C 2.7081 no . 3_645
H60 H111 3.3281 no . 3_645
H60 H112 3.5839 no . 3_645
H61 C106 3.1611 no . 3_645
H61 C112 3.3395 no . 3_645
H61 C113 3.4410 no . 3_645
H61 H10E 2.7733 no . 3_645
H61 H10F 2.6602 no . 3_645
H61 H11A 3.5566 no . 3_645
H61 H11B 2.9099 no . 3_645
H61 H37B 3.0244 no . 3_645
H61 H50 3.5319 no . 1_655
H61 H97B 3.5493 no . 3_645
H61 H97C 3.0080 no . 3_645
H61 H112 3.2616 no . 3_645
H62 C38 3.3801 no . 3_645
H62 C49 3.2544 no . 1_655
H62 H33B 2.8285 no . 3_645
H62 H34A 2.9887 no . 3_645
H62 H37B 3.0747 no . 3_645
H62 H38A 2.4446 no . 3_645
H62 H49 2.3869 no . 1_655
H65A F1 2.6671 no . .
H65A C29 3.4467 no . .
H65A H12 3.1180 no . .
H65A H13C 3.2831 no . .
H65A H14C 2.8918 no . .
H65A H27 3.1172 no . .
H65A H29A 3.5596 no . .
H65A H29C 2.7370 no . .
H65B C13 3.2300 no . .
H65B H11H 2.8650 no . 3_645
H65B H12 3.3516 no . .
H65B H13C 2.3281 no . .
H65B H14C 2.8931 no . .
H65C H27 3.5457 no . .
H65C H28A 3.2560 no . .
H65C H29C 2.9195 no . .
H66A C118 3.3825 no . 3_645
H66A H11G 3.4281 no . 3_645
H66A H11H 2.6995 no . 3_645
H66A H97A 3.3221 no . 3_645
H66A H101 3.5939 no . 3_545
H66B C101 3.4061 no . 3_545
H66B H90 3.3632 no . 3_645
H66B H97A 2.8470 no . 3_645
H66B H101 2.4563 no . 3_545
H66C C101 3.4435 no . 3_545
H66C H101 2.6440 no . 3_545
H67 C105 3.0305 no . .
H67 H10A 2.5590 no . .
H67 H10B 3.4646 no . .
H67 H10C 2.6825 no . .
H68A C49 3.3976 no . 1_655
H68A C96 3.4349 no . .
H68A H14B 3.1083 no . .
H68A H37A 3.3116 no . .
H68A H49 2.5828 no . 1_655
H68A H96C 2.5444 no . .
H68B C14 3.3644 no . .
H68B C36 2.9853 no . .
H68B C37 3.3136 no . .
H68B H10C 2.7761 no . .
H68B H14B 2.6414 no . .
H68B H14C 3.2398 no . .
H68B H37A 2.7053 no . .
H68B H36 2.2642 no . .
H68C C95 3.3835 no . .
H68C C96 3.3541 no . .
H68C C97 3.5142 no . .
H68C C105 3.0936 no . .
H68C H10A 3.0631 no . .
H68C H10C 2.3734 no . .
H68C H37A 2.9802 no . .
H68C H95 2.8774 no . .
H68C H96C 2.6804 no . .
H68C H97B 2.8375 no . .
H68C H104 3.3651 no . .
H68C H36 3.3027 no . .
H69A O1 3.3469 no . .
H69A C31 3.3609 no . 3_645
H69A C38 3.0858 no . 3_645
H69A H33B 3.5844 no . 3_645
H69A H38A 2.4284 no . 3_645
H69A H38B 3.0926 no . 3_645
H69B C31 3.3339 no . 3_645
H69B C32 3.2826 no . 3_645
H69B C33 3.1244 no . 3_645
H69B C38 3.2173 no . 3_645
H69B C96 3.5645 no . .
H69B H33B 2.2766 no . 3_645
H69B H38A 2.3855 no . 3_645
H69B H49 3.2887 no . 1_655
H69B H96B 3.0389 no . .
H69B H96C 3.2192 no . .
H69C C83 3.0041 no . .
H69C C84 3.1804 no . .
H69C C96 3.5261 no . .
H69C H10A 3.2104 no . .
H69C H83 2.6581 no . .
H69C H84 3.0110 no . .
H69C H95 2.9281 no . .
H69C H96B 3.0986 no . .
H69C H96C 3.3602 no . .
H73A C53 3.3235 no . 3_545
H73A H53A 2.9196 no . 3_545
H73A H53B 2.8409 no . 3_545
H73A H96A 3.3481 no . 3_645
H73A H97A 2.8911 no . 3_645
H73A H97B 3.5260 no . 3_645
H73A H101 3.4567 no . 3_545
H73B C97 3.1417 no . 3_645
H73B H38B 3.5690 no . 3_645
H73B H97A 2.5346 no . 3_645
H73B H97B 2.8918 no . 3_645
H74A C38 3.3407 no . 3_645
H74A H37A 2.9568 no . 3_645
H74A H38B 2.4562 no . 3_645
H74B H9 3.5026 no . 3_645
H74B H53A 3.4478 no . 3_545
H77A C21 3.5946 no . 3_545
H77A C22 3.3872 no . 3_545
H77A C34 3.0849 no . 3_545
H77A C35 3.1817 no . 3_545
H77A H22 3.3269 no . 3_545
H77A H29A 3.2825 no . 3_545
H77A H33A 3.5861 no . 3_545
H77A H34B 2.2790 no . 3_545
H77A H35 2.6124 no . 3_545
H77B C22 3.5053 no . 3_545
H77B C29 3.1720 no . 3_545
H77B H9 3.1914 no . 3_645
H77B H22 3.0621 no . 3_545
H77B H29A 2.5438 no . 3_545
H77B H29B 2.9231 no . 3_545
H77B H43 2.7104 no . 3_545
H77B H35 3.0775 no . 3_545
H78A C53 3.5075 no . 3_545
H78A H10B 3.0881 no . 3_545
H78A H10D 3.6000 no . 3_545
H78A H43 2.9699 no . 3_545
H78A H53A 2.5558 no . 3_545
H78A H100 3.2448 no . 3_545
H78B C34 3.1510 no . 3_545
H78B C35 3.0346 no . 3_545
H78B C105 3.5814 no . 3_545
H78B C106 3.3376 no . 3_545
H78B H10B 2.8485 no . 3_545
H78B H10D 2.4019 no . 3_545
H78B H34A 3.3046 no . 3_545
H78B H34B 2.5942 no . 3_545
H78B H43 3.4431 no . 3_545
H78B H53A 3.5634 no . 3_545
H78B H100 3.0276 no . 3_545
H78B H35 2.7510 no . 3_545
H83 C17 2.8546 no . 3_645
H83 C69 3.5251 no . .
H83 H17A 2.7102 no . 3_645
H83 H17B 2.8645 no . 3_645
H83 H17C 2.5107 no . 3_645
H83 H26C 3.0701 no . 3_645
H83 H69C 2.6581 no . .
H84 F41 3.2931 no . .
H84 O1 2.3254 no . .
H84 H17B 3.2633 no . 3_645
H84 H54A 3.5592 no . .
H84 H69C 3.0110 no . .
H88 C16 2.8994 no . 4_664
H88 H16A 2.9582 no . 4_664
H88 H16B 2.6181 no . 4_664
H88 H16C 2.6387 no . 4_664
H89 C102 3.3286 no . 1_655
H89 C109 3.5942 no . 1_655
H89 H10K 2.6363 no . 1_655
H89 H16A 3.5571 no . 4_664
H89 H16C 3.1634 no . 4_664
H89 H102 2.3961 no . 1_655
H90 C102 3.5859 no . 1_655
H90 H53B 3.3511 no . 1_655
H90 H66B 3.3632 no . 3_655
H90 H101 3.2660 no . 1_655
H90 H102 3.0282 no . 1_655
H92 C25 3.5582 no . 4_564
H92 H25A 2.9525 no . 4_564
H92 H25B 3.2602 no . 4_564
H93A H10I 3.3160 no . 2_555
H93A H17C 2.7528 no . 3_645
H93A H25B 3.3264 no . 4_564
H93A H25C 2.8458 no . 3_645
H93A H26C 2.8670 no . 3_645
H93B H10I 2.8325 no . 2_555
H93B H16B 3.2635 no . 4_664
H93B H25C 2.8135 no . 3_645
H93B H26C 3.4735 no . 3_645
H93C C19 3.5867 no . 4_564
H93C C20 3.0995 no . 4_564
H93C C21 3.5757 no . 4_564
H93C C25 3.1733 no . 4_564
H93C C108 3.5874 no . 2_555
H93C H10I 2.7511 no . 2_555
H93C H20 2.9582 no . 4_564
H93C H25A 3.1715 no . 4_564
H93C H25B 2.4013 no . 4_564
H94A C21 3.5630 no . 4_564
H94A C22 3.4244 no . 4_564
H94A H16B 3.1534 no . 4_664
H94A H22 3.5858 no . 4_564
H94A H28B 2.8642 no . 4_564
H94B C28 3.3066 no . 4_564
H94B H28B 2.7269 no . 4_564
H94B H28C 2.9953 no . 4_564
H94C C18 2.9362 no . 4_564
H94C C19 3.0110 no . 4_564
H94C C20 3.1264 no . 4_564
H94C C21 3.1752 no . 4_564
H94C C22 3.0823 no . 4_564
H94C C23 2.9750 no . 4_564
H94C C25 3.4757 no . 4_564
H94C C28 3.4046 no . 4_564
H94C H4 3.1704 no . 4_564
H94C H25A 2.8931 no . 4_564
H94C H25B 3.3722 no . 4_564
H94C H28B 2.8850 no . 4_564
H94C H28C 3.2219 no . 4_564
H95 H68C 2.8774 no . .
H95 H69C 2.9281 no . .
H96A C48 3.3875 no . 1_655
H96A C53 3.4579 no . 1_655
H96A H26B 3.5643 no . 3_645
H96A H48 2.5895 no . 1_655
H96A H53B 2.4862 no . 1_655
H96A H54B 3.4111 no . 1_655
H96A H73A 3.3481 no . 3_655
H96B C26 3.3410 no . 3_645
H96B C33 3.5204 no . 3_645
H96B C69 3.5191 no . .
H96B H26A 3.5390 no . 3_645
H96B H26B 2.6772 no . 3_645
H96B H26C 3.3278 no . 3_645
H96B H33A 3.2260 no . 3_645
H96B H33B 2.9956 no . 3_645
H96B H48 2.8275 no . 1_655
H96B H69B 3.0389 no . .
H96B H69C 3.0986 no . .
H96C C48 3.2946 no . 1_655
H96C C49 3.5593 no . 1_655
H96C C68 3.0415 no . .
H96C H33B 3.5436 no . 3_645
H96C H48 2.6670 no . 1_655
H96C H49 3.1867 no . 1_655
H96C H53B 3.5729 no . 1_655
H96C H68A 2.5444 no . .
H96C H68C 2.6804 no . .
H96C H69B 3.2192 no . .
H96C H69C 3.3602 no . .
H97A C60 3.3528 no . 3_655
H97A C66 3.5213 no . 3_655
H97A C73 3.1678 no . 3_655
H97A H60 2.9982 no . 3_655
H97A H66A 3.3221 no . 3_655
H97A H66B 2.8470 no . 3_655
H97A H73A 2.8911 no . 3_655
H97A H73B 2.5346 no . 3_655
H97B C37 3.5453 no . .
H97B H37A 2.9942 no . .
H97B H37B 3.1355 no . .
H97B H61 3.5493 no . 3_655
H97B H68C 2.8375 no . .
H97B H73A 3.5260 no . 3_655
H97B H73B 2.8918 no . 3_655
H97C C60 3.2068 no . 3_655
H97C C61 3.3707 no . 3_655
H97C H60 2.7081 no . 3_655
H97C H61 3.0080 no . 3_655
H100 C57 3.1308 no . 3_555
H100 C71 2.9481 no . 3_555
H100 C72 3.3899 no . 3_555
H100 C78 3.2812 no . 3_555
H100 H53A 3.1718 no . .
H100 H53C 3.3513 no . .
H100 H57A 2.7101 no . 3_555
H100 H57B 2.7713 no . 3_555
H100 H57C 3.4675 no . 3_555
H100 H78A 3.2448 no . 3_555
H100 H78B 3.0276 no . 3_555
H100 H71 3.0293 no . 3_555
H101 C57 3.5465 no . 3_555
H101 C66 2.9840 no . 3_555
H101 C72 3.5828 no . 3_555
H101 H53C 3.4009 no . .
H101 H57A 3.1055 no . 3_555
H101 H57C 3.2970 no . 3_555
H101 H66A 3.5939 no . 3_555
H101 H66B 2.4563 no . 3_555
H101 H66C 2.6440 no . 3_555
H101 H73A 3.4567 no . 3_555
H101 H90 3.2660 no . 1_455
H101 H72 3.4831 no . 3_555
H102 C89 3.1867 no . 1_455
H102 C90 3.4947 no . 1_455
H102 H53C 3.5716 no . .
H102 H89 2.3961 no . 1_455
H102 H90 3.0282 no . 1_455
H104 H68C 3.3651 no . .
H107 C25 3.4544 no . 4_564
H107 H25A 2.8797 no . 4_564
H107 H25C 3.2155 no . 4_564
H35 C77 3.1607 no . 3_555
H35 C78 3.3932 no . 3_555
H35 H43 3.4080 no . .
H35 H44 3.1430 no . .
H35 H77A 2.6124 no . 3_555
H35 H77B 3.0775 no . 3_555
H35 H78B 2.7510 no . 3_555
H36 C44 3.2234 no . .
H36 C68 3.1611 no . .
H36 H10C 2.9577 no . .
H36 H44 2.4541 no . .
H36 H68B 2.2642 no . .
H36 H68C 3.3027 no . .
H71 H10D 3.2510 no . 3_545
H71 H34B 3.3779 no . 3_545
H71 H100 3.0293 no . 3_545
H72 H101 3.4831 no . 3_545
H75 O1 3.3942 no . .
H75 C38 3.1939 no . 3_645
H75 H9 3.4224 no . 3_645
H75 H38A 3.1640 no . 3_645
H75 H38B 2.3895 no . 3_645
H76 O1 2.5390 no . .
H76 C21 3.4199 no . 3_545
H76 H9 3.3446 no . 3_645
H76 H10 3.5014 no . 3_645
H76 H21 2.8866 no . 3_545
H76 H22 3.3005 no . 3_545
H111 H60 3.3281 no . 3_655
H112 H60 3.5839 no . 3_655
H112 H61 3.2616 no . 3_655
H115 H4 3.2484 no . 4_564
H116 C28 3.0607 no . 4_564
H116 H4 3.0045 no . 4_564
H116 H28A 3.4328 no . 4_564
H116 H28B 3.1712 no . 4_564
H116 H28C 2.2340 no . 4_564

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.



#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 1001354'
