# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  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_complex-2aa

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C30 H35 N O Ru'
_chemical_formula_moiety         'C30 H35 N O Ru'
_chemical_formula_weight         526.68
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   22.436(6)
_cell_length_b                   8.563(2)
_cell_length_c                   13.950(4)
_cell_angle_alpha                90.0000
_cell_angle_beta                 104.135(4)
_cell_angle_gamma                90.0000
_cell_volume                     2598.8(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6769
_cell_measurement_theta_min      3.01
_cell_measurement_theta_max      27.45
_cell_measurement_temperature    200
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            paleYellow
_exptl_crystal_size_max          0.344
_exptl_crystal_size_mid          0.205
_exptl_crystal_size_min          0.058
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1096.00
_exptl_absorpt_coefficient_mu    0.625
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.894
_exptl_absorpt_correction_T_max  0.964

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

_diffrn_ambient_temperature      200
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       w
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            20238
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       15
_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             5921
_reflns_number_gt                4533
_reflns_threshold_expression     F²>2.0s(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0549
_refine_ls_wR_factor_ref         0.1513
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5921
_refine_ls_number_parameters     280
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[s²(Fo²)+(0.0702P)²+4.7158P] 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          0.001
_refine_diff_density_max         1.730
_refine_diff_density_min         -0.770
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(1992, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.657003(14) 1.04507(4) 0.36485(2) 0.02942(13) Uani 1.0 4 d . . .
O1 O 0.76631(16) 0.8879(6) 0.5892(3) 0.0660(12) Uani 1.0 4 d . . .
N1 N 0.71020(17) 1.0271(5) 0.2595(3) 0.0389(9) Uani 1.0 4 d . . .
C1 C 0.6591(3) 1.2992(6) 0.3538(4) 0.0472(12) Uani 1.0 4 d . . .
C2 C 0.6431(3) 1.2613(6) 0.4439(4) 0.0475(12) Uani 1.0 4 d . . .
C3 C 0.6809(3) 1.1571(6) 0.5110(4) 0.0440(11) Uani 1.0 4 d . . .
C4 C 0.7366(2) 1.1103(7) 0.4851(4) 0.0448(12) Uani 1.0 4 d . . .
C5 C 0.5849(4) 1.3295(8) 0.4647(5) 0.0738(19) Uani 1.0 4 d . . .
C6 C 0.6653(3) 1.1110(7) 0.6070(4) 0.0546(14) Uani 1.0 4 d . . .
C7 C 0.7770(3) 0.9845(8) 0.5300(5) 0.0611(17) Uani 1.0 4 d . . .
C8 C 0.8376(5) 0.9475(14) 0.4816(9) 0.043(3) Uiso 0.5000 4 d . . .
C9 C 0.8905(5) 1.0375(13) 0.5508(9) 0.047(3) Uiso 0.5000 4 d . . .
C10 C 0.9400(6) 1.0878(15) 0.5100(10) 0.056(3) Uiso 0.5000 4 d . . .
C11 C 0.9912(7) 1.1730(18) 0.5751(13) 0.074(4) Uiso 0.5000 4 d . . .
C12 C 0.9871(7) 1.2207(19) 0.6812(14) 0.068(4) Uiso 0.5000 4 d . . .
C13 C 0.9431(8) 1.156(3) 0.7113(14) 0.092(5) Uiso 0.5000 4 d . . .
C14 C 0.8908(7) 1.0761(18) 0.6505(13) 0.071(4) Uiso 0.5000 4 d . . .
C15 C 0.8574(5) 0.8379(14) 0.4976(8) 0.045(3) Uiso 0.5000 4 d . . .
C16 C 0.8415(7) 0.7732(19) 0.3995(13) 0.073(4) Uiso 0.5000 4 d . . .
C17 C 0.8596(9) 0.617(3) 0.3884(15) 0.098(5) Uiso 0.5000 4 d . . .
C18 C 0.8912(9) 0.523(3) 0.4702(19) 0.085(6) Uiso 0.5000 4 d . . .
C19 C 0.9101(8) 0.593(3) 0.5650(15) 0.085(5) Uiso 0.5000 4 d . . .
C20 C 0.8927(6) 0.7536(16) 0.5815(11) 0.062(3) Uiso 0.5000 4 d . . .
C21 C 0.7356(3) 1.0145(6) 0.1989(4) 0.0443(11) Uani 1.0 4 d . . .
C22 C 0.7671(4) 0.9923(9) 0.1194(6) 0.084(3) Uani 1.0 4 d . . .
C23 C 0.6615(3) 0.7921(7) 0.3652(4) 0.0559(14) Uani 1.0 4 d . . .
C24 C 0.63402(19) 0.8337(5) 0.4387(4) 0.0363(10) Uani 1.0 4 d . . .
C25 C 0.5661(3) 0.8198(10) 0.4337(6) 0.083(3) Uani 1.0 4 d . . .
C26 C 0.5252(3) 0.9225(8) 0.3638(4) 0.0563(15) Uani 1.0 4 d . . .
C27 C 0.5573(2) 1.0399(7) 0.3116(4) 0.0462(12) Uani 1.0 4 d . . .
C28 C 0.5840(3) 0.9982(8) 0.2341(4) 0.0532(14) Uani 1.0 4 d . . .
C29 C 0.5867(3) 0.8351(10) 0.1965(6) 0.086(3) Uani 1.0 4 d . . .
C30 C 0.6226(5) 0.7286(14) 0.2655(9) 0.127(4) Uiso 1.0 4 d . . .
C101 C 0.8377(5) 1.0052(13) 0.5110(8) 0.041(3) Uiso 0.5000 4 d . . .
C102 C 0.8855(6) 1.0957(15) 0.5909(12) 0.057(3) Uiso 0.5000 4 d . . .
C103 C 0.9417(7) 1.1332(19) 0.5638(13) 0.077(4) Uiso 0.5000 4 d . . .
C104 C 0.9891(7) 1.2020(18) 0.6354(15) 0.068(4) Uiso 0.5000 4 d . . .
C105 C 0.9697(11) 1.269(3) 0.7269(18) 0.121(7) Uiso 0.5000 4 d . . .
C106 C 0.9170(10) 1.244(3) 0.7551(16) 0.117(6) Uiso 0.5000 4 d . . .
C107 C 0.8698(8) 1.152(2) 0.6757(13) 0.086(5) Uiso 0.5000 4 d . . .
C108 C 0.8499(5) 0.7725(14) 0.4610(10) 0.046(3) Uiso 0.5000 4 d . . .
C109 C 0.8199(8) 0.703(2) 0.3756(12) 0.080(4) Uiso 0.5000 4 d . . .
C110 C 0.8297(8) 0.547(2) 0.3574(14) 0.089(5) Uiso 0.5000 4 d . . .
C111 C 0.8698(10) 0.461(3) 0.4268(16) 0.099(6) Uiso 0.5000 4 d . . .
C112 C 0.8993(8) 0.540(2) 0.5178(17) 0.073(5) Uiso 0.5000 4 d . . .
C113 C 0.8902(6) 0.6926(18) 0.5401(11) 0.063(3) Uiso 0.5000 4 d . . .
H1A H 0.7001 1.3472 0.3601 0.0566 Uiso 1.0 4 calc R . .
H1B H 0.6265 1.3475 0.3014 0.0566 Uiso 1.0 4 calc R . .
H4 H 0.7597 1.2013 0.4672 0.0538 Uiso 1.0 4 calc R . .
H5A H 0.5955 1.3895 0.5264 0.0886 Uiso 1.0 4 calc R . .
H5B H 0.5568 1.2447 0.4710 0.0886 Uiso 1.0 4 calc R . .
H5C H 0.5650 1.3983 0.4102 0.0886 Uiso 1.0 4 calc R . .
H6A H 0.6244 1.0632 0.5926 0.0655 Uiso 1.0 4 calc R . .
H6B H 0.6656 1.2041 0.6480 0.0655 Uiso 1.0 4 calc R . .
H6C H 0.6958 1.0360 0.6425 0.0655 Uiso 1.0 4 calc R . .
H22A H 0.7374 1.0016 0.0552 0.1012 Uiso 1.0 4 calc R . .
H22B H 0.7860 0.8883 0.1252 0.1012 Uiso 1.0 4 calc R . .
H22C H 0.7991 1.0720 0.1245 0.1012 Uiso 1.0 4 calc R . .
H23 H 0.7036 0.7467 0.3879 0.0671 Uiso 1.0 4 calc R . .
H24 H 0.6608 0.8178 0.5067 0.0435 Uiso 1.0 4 calc R . .
H25A H 0.5535 0.7105 0.4165 0.0997 Uiso 1.0 4 calc R . .
H25B H 0.5600 0.8403 0.5004 0.0997 Uiso 1.0 4 calc R . .
H26A H 0.4991 0.9804 0.3996 0.0675 Uiso 1.0 4 calc R . .
H26B H 0.4976 0.8572 0.3131 0.0675 Uiso 1.0 4 calc R . .
H27 H 0.5378 1.1456 0.3039 0.0554 Uiso 1.0 4 calc R . .
H28 H 0.5797 1.0801 0.1818 0.0638 Uiso 1.0 4 calc R . .
H29A H 0.5443 0.7940 0.1754 0.1029 Uiso 1.0 4 calc R . .
H29B H 0.6036 0.8390 0.1373 0.1029 Uiso 1.0 4 calc R . .
H30A H 0.6509 0.6746 0.2320 0.1522 Uiso 1.0 4 calc R . .
H30B H 0.5944 0.6485 0.2806 0.1522 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# 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
Ru1 N1 2.113(5) yes . .
Ru1 C1 2.183(5) yes . .
Ru1 C2 2.215(5) yes . .
Ru1 C3 2.198(5) yes . .
Ru1 C4 2.203(5) yes . .
Ru1 C23 2.168(6) yes . .
Ru1 C24 2.206(5) yes . .
Ru1 C27 2.178(5) yes . .
Ru1 C28 2.170(5) yes . .
O1 C7 1.232(8) yes . .
N1 C21 1.133(8) yes . .
C1 C2 1.427(8) yes . .
C2 C3 1.416(7) yes . .
C2 C5 1.521(10) yes . .
C3 C4 1.440(8) yes . .
C3 C6 1.517(8) yes . .
C4 C7 1.448(8) yes . .
C7 C8 1.691(14) yes . .
C7 C101 1.461(12) yes . .
C8 C9 1.540(15) yes . .
C8 C15 1.039(16) yes . .
C8 C16 1.90(2) yes . .
C8 C101 0.642(17) yes . .
C8 C108 1.562(17) yes . .
C9 C10 1.434(18) yes . .
C9 C14 1.43(3) yes . .
C9 C15 1.937(16) yes . .
C9 C101 1.211(14) yes . .
C9 C102 0.78(2) yes . .
C9 C103 1.387(19) yes . .
C10 C11 1.471(18) yes . .
C10 C102 1.86(2) yes . .
C10 C103 0.84(3) yes . .
C11 C12 1.56(3) yes . .
C11 C103 1.13(2) yes . .
C11 C104 0.89(3) yes . .
C12 C13 1.29(3) yes . .
C12 C103 1.86(3) yes . .
C12 C104 0.67(3) yes . .
C12 C105 0.92(4) yes . .
C13 C14 1.44(3) yes . .
C13 C102 1.92(2) yes . .
C13 C104 1.70(3) yes . .
C13 C105 1.13(3) yes . .
C13 C106 1.21(3) yes . .
C13 C107 1.60(3) yes . .
C14 C102 0.83(3) yes . .
C14 C103 1.92(3) yes . .
C14 C107 0.92(3) yes . .
C15 C16 1.44(2) yes . .
C15 C20 1.437(17) yes . .
C15 C101 1.524(16) yes . .
C15 C108 0.748(17) yes . .
C15 C113 1.493(18) yes . .
C16 C17 1.41(3) yes . .
C16 C108 0.83(3) yes . .
C16 C109 0.79(3) yes . .
C17 C18 1.44(3) yes . .
C17 C108 1.72(3) yes . .
C17 C109 1.13(3) yes . .
C17 C110 0.93(3) yes . .
C17 C111 1.44(3) yes . .
C17 C112 1.92(3) yes . .
C18 C19 1.42(3) yes . .
C18 C110 1.83(3) yes . .
C18 C111 0.86(3) yes . .
C18 C112 0.66(4) yes . .
C18 C113 1.75(3) yes . .
C19 C20 1.47(3) yes . .
C19 C112 0.79(3) yes . .
C19 C113 0.99(3) yes . .
C20 C108 1.728(18) yes . .
C20 C113 0.77(2) yes . .
C21 C22 1.468(11) yes . .
C23 C24 1.366(8) yes . .
C23 C30 1.549(12) yes . .
C24 C25 1.512(8) yes . .
C25 C26 1.460(9) yes . .
C26 C27 1.522(9) yes . .
C27 C28 1.404(8) yes . .
C28 C29 1.499(11) yes . .
C29 C30 1.424(13) yes . .
C101 C102 1.552(16) yes . .
C102 C103 1.44(3) yes . .
C102 C107 1.40(3) yes . .
C103 C104 1.40(2) yes . .
C104 C105 1.56(4) yes . .
C105 C106 1.35(4) yes . .
C106 C107 1.55(3) yes . .
C108 C109 1.35(2) yes . .
C108 C113 1.421(17) yes . .
C109 C110 1.39(3) yes . .
C110 C111 1.36(3) yes . .
C111 C112 1.45(3) yes . .
C112 C113 1.37(3) yes . .
C1 H1A 0.990 no . .
C1 H1B 0.990 no . .
C4 H4 1.000 no . .
C5 H5A 0.980 no . .
C5 H5B 0.980 no . .
C5 H5C 0.980 no . .
C6 H6A 0.980 no . .
C6 H6B 0.980 no . .
C6 H6C 0.980 no . .
C22 H22A 0.980 no . .
C22 H22B 0.980 no . .
C22 H22C 0.980 no . .
C23 H23 1.000 no . .
C24 H24 1.000 no . .
C25 H25A 0.990 no . .
C25 H25B 0.990 no . .
C26 H26A 0.990 no . .
C26 H26B 0.990 no . .
C27 H27 1.000 no . .
C28 H28 1.000 no . .
C29 H29A 0.990 no . .
C29 H29B 0.990 no . .
C30 H30A 0.990 no . .
C30 H30B 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
N1 Ru1 C1 89.85(19) yes . . .
N1 Ru1 C2 125.40(19) yes . . .
N1 Ru1 C3 128.76(17) yes . . .
N1 Ru1 C4 93.32(17) yes . . .
N1 Ru1 C23 84.0(2) yes . . .
N1 Ru1 C24 120.10(17) yes . . .
N1 Ru1 C27 117.96(17) yes . . .
N1 Ru1 C28 80.83(18) yes . . .
C1 Ru1 C2 37.9(2) yes . . .
C1 Ru1 C3 68.04(18) yes . . .
C1 Ru1 C4 76.90(19) yes . . .
C1 Ru1 C23 173.8(3) yes . . .
C1 Ru1 C24 149.6(2) yes . . .
C1 Ru1 C27 92.0(2) yes . . .
C1 Ru1 C28 98.6(3) yes . . .
C2 Ru1 C3 37.41(18) yes . . .
C2 Ru1 C4 66.14(19) yes . . .
C2 Ru1 C23 147.7(2) yes . . .
C2 Ru1 C24 112.07(19) yes . . .
C2 Ru1 C27 85.9(2) yes . . .
C2 Ru1 C28 113.8(2) yes . . .
C3 Ru1 C4 38.2(2) yes . . .
C3 Ru1 C23 115.66(19) yes . . .
C3 Ru1 C24 87.50(18) yes . . .
C3 Ru1 C27 108.8(2) yes . . .
C3 Ru1 C28 145.4(2) yes . . .
C4 Ru1 C23 102.9(2) yes . . .
C4 Ru1 C24 95.21(18) yes . . .
C4 Ru1 C27 147.0(2) yes . . .
C4 Ru1 C28 172.7(2) yes . . .
C23 Ru1 C24 36.4(2) yes . . .
C23 Ru1 C27 91.3(3) yes . . .
C23 Ru1 C28 80.9(3) yes . . .
C24 Ru1 C27 78.74(18) yes . . .
C24 Ru1 C28 91.5(2) yes . . .
C27 Ru1 C28 37.7(2) yes . . .
Ru1 N1 C21 175.8(4) yes . . .
Ru1 C1 C2 72.3(3) yes . . .
Ru1 C2 C1 69.8(3) yes . . .
Ru1 C2 C3 70.6(3) yes . . .
Ru1 C2 C5 130.4(4) yes . . .
C1 C2 C3 119.1(5) yes . . .
C1 C2 C5 119.6(5) yes . . .
C3 C2 C5 121.2(5) yes . . .
Ru1 C3 C2 72.0(3) yes . . .
Ru1 C3 C4 71.1(3) yes . . .
Ru1 C3 C6 130.5(4) yes . . .
C2 C3 C4 115.2(5) yes . . .
C2 C3 C6 121.2(5) yes . . .
C4 C3 C6 123.4(5) yes . . .
Ru1 C4 C3 70.7(3) yes . . .
Ru1 C4 C7 116.5(4) yes . . .
C3 C4 C7 126.0(5) yes . . .
O1 C7 C4 125.9(5) yes . . .
O1 C7 C8 116.6(6) yes . . .
O1 C7 C101 123.0(6) yes . . .
C4 C7 C8 116.5(6) yes . . .
C4 C7 C101 110.1(7) yes . . .
C8 C7 C101 22.0(6) yes . . .
C7 C8 C9 103.1(9) yes . . .
C7 C8 C15 115.3(12) yes . . .
C7 C8 C16 123.3(8) yes . . .
C7 C8 C101 58.4(13) yes . . .
C7 C8 C108 116.6(9) yes . . .
C9 C8 C15 95.4(10) yes . . .
C9 C8 C16 129.1(9) yes . . .
C9 C8 C101 48.2(12) yes . . .
C9 C8 C108 116.9(9) yes . . .
C15 C8 C16 48.6(9) yes . . .
C15 C8 C101 128.7(18) yes . . .
C15 C8 C108 24.2(8) yes . . .
C16 C8 C101 176.9(15) yes . . .
C16 C8 C108 25.6(8) yes . . .
C101 C8 C108 152.0(18) yes . . .
C8 C9 C10 117.0(11) yes . . .
C8 C9 C14 123.1(11) yes . . .
C8 C9 C15 32.3(6) yes . . .
C8 C9 C101 23.3(8) yes . . .
C8 C9 C102 123.3(15) yes . . .
C8 C9 C103 149.8(13) yes . . .
C10 C9 C14 119.8(11) yes . . .
C10 C9 C15 112.0(10) yes . . .
C10 C9 C101 130.8(12) yes . . .
C10 C9 C102 110.7(15) yes . . .
C10 C9 C103 34.5(10) yes . . .
C14 C9 C15 119.2(11) yes . . .
C14 C9 C101 105.7(12) yes . . .
C14 C9 C102 28.1(13) yes . . .
C14 C9 C103 86.0(11) yes . . .
C15 C9 C101 51.9(8) yes . . .
C15 C9 C102 137.2(16) yes . . .
C15 C9 C103 143.0(12) yes . . .
C101 C9 C102 100.4(15) yes . . .
C101 C9 C103 151.8(13) yes . . .
C102 C9 C103 77.7(15) yes . . .
C9 C10 C11 117.9(13) yes . . .
C9 C10 C102 23.0(7) yes . . .
C9 C10 C103 69.7(15) yes . . .
C11 C10 C102 97.9(11) yes . . .
C11 C10 C103 50.2(14) yes . . .
C102 C10 C103 48.0(14) yes . . .
C10 C11 C12 119.9(14) yes . . .
C10 C11 C103 34.5(11) yes . . .
C10 C11 C104 120.6(18) yes . . .
C12 C11 C103 85.9(15) yes . . .
C12 C11 C104 1.1(13) yes . . .
C103 C11 C104 86.6(19) yes . . .
C11 C12 C13 115.0(15) yes . . .
C11 C12 C103 37.4(9) yes . . .
C11 C12 C104 1.4(17) yes . . .
C11 C12 C105 155(2) yes . . .
C13 C12 C103 79.3(12) yes . . .
C13 C12 C104 116(3) yes . . .
C13 C12 C105 59(2) yes . . .
C103 C12 C104 38.4(16) yes . . .
C103 C12 C105 123.8(19) yes . . .
C104 C12 C105 155(3) yes . . .
C12 C13 C14 126.3(18) yes . . .
C12 C13 C102 103.7(15) yes . . .
C12 C13 C104 20.8(11) yes . . .
C12 C13 C105 44.2(17) yes . . .
C12 C13 C106 113(2) yes . . .
C12 C13 C107 135.9(16) yes . . .
C14 C13 C102 23.4(9) yes . . .
C14 C13 C104 106.1(15) yes . . .
C14 C13 C105 146(2) yes . . .
C14 C13 C106 99.6(17) yes . . .
C14 C13 C107 34.9(10) yes . . .
C102 C13 C104 84.2(11) yes . . .
C102 C13 C105 127.4(18) yes . . .
C102 C13 C106 107.7(15) yes . . .
C102 C13 C107 45.8(9) yes . . .
C104 C13 C105 63.1(17) yes . . .
C104 C13 C106 127.8(19) yes . . .
C104 C13 C107 123.2(14) yes . . .
C105 C13 C106 70(2) yes . . .
C105 C13 C107 121.9(19) yes . . .
C106 C13 C107 65.1(14) yes . . .
C9 C14 C13 119.4(15) yes . . .
C9 C14 C102 26.2(12) yes . . .
C9 C14 C103 46.1(9) yes . . .
C9 C14 C107 130.8(18) yes . . .
C13 C14 C102 113.0(19) yes . . .
C13 C14 C103 74.0(12) yes . . .
C13 C14 C107 82.0(16) yes . . .
C102 C14 C103 43.6(13) yes . . .
C102 C14 C107 106(2) yes . . .
C103 C14 C107 119.9(18) yes . . .
C8 C15 C9 52.3(8) yes . . .
C8 C15 C16 98.6(12) yes . . .
C8 C15 C20 138.6(13) yes . . .
C8 C15 C101 19.2(8) yes . . .
C8 C15 C108 121.1(15) yes . . .
C8 C15 C113 169.0(13) yes . . .
C9 C15 C16 133.4(11) yes . . .
C9 C15 C20 92.7(8) yes . . .
C9 C15 C101 38.7(6) yes . . .
C9 C15 C108 157.3(17) yes . . .
C9 C15 C113 118.5(8) yes . . .
C16 C15 C20 122.8(12) yes . . .
C16 C15 C101 117.8(10) yes . . .
C16 C15 C108 26.0(13) yes . . .
C16 C15 C113 92.4(11) yes . . .
C20 C15 C101 119.4(10) yes . . .
C20 C15 C108 99.7(15) yes . . .
C20 C15 C113 30.4(9) yes . . .
C101 C15 C108 139.7(14) yes . . .
C101 C15 C113 149.8(11) yes . . .
C108 C15 C113 69.8(13) yes . . .
C8 C16 C15 32.8(7) yes . . .
C8 C16 C17 149.9(14) yes . . .
C8 C16 C108 54.2(13) yes . . .
C8 C16 C109 137(3) yes . . .
C15 C16 C17 117.1(14) yes . . .
C15 C16 C108 23.2(11) yes . . .
C15 C16 C109 133(3) yes . . .
C17 C16 C108 96.1(18) yes . . .
C17 C16 C109 53.3(17) yes . . .
C108 C16 C109 113(3) yes . . .
C16 C17 C18 123.0(18) yes . . .
C16 C17 C108 28.8(9) yes . . .
C16 C17 C109 33.9(12) yes . . .
C16 C17 C110 118(2) yes . . .
C16 C17 C111 149(2) yes . . .
C16 C17 C112 107.6(15) yes . . .
C18 C17 C108 94.4(15) yes . . .
C18 C17 C109 135(3) yes . . .
C18 C17 C110 99(2) yes . . .
C18 C17 C111 34.8(12) yes . . .
C18 C17 C112 15.4(11) yes . . .
C108 C17 C109 51.9(12) yes . . .
C108 C17 C110 127(3) yes . . .
C108 C17 C111 122.2(17) yes . . .
C108 C17 C112 79.0(11) yes . . .
C109 C17 C110 84(2) yes . . .
C109 C17 C111 135(3) yes . . .
C109 C17 C112 122.4(19) yes . . .
C110 C17 C111 66.3(18) yes . . .
C110 C17 C112 109(2) yes . . .
C111 C17 C112 48.5(12) yes . . .
C17 C18 C19 118.7(18) yes . . .
C17 C18 C110 29.9(11) yes . . .
C17 C18 C111 73(2) yes . . .
C17 C18 C112 129(3) yes . . .
C17 C18 C113 84.5(14) yes . . .
C19 C18 C110 138.0(17) yes . . .
C19 C18 C111 155(4) yes . . .
C19 C18 C112 12(2) yes . . .
C19 C18 C113 34.3(10) yes . . .
C110 C18 C111 44.7(18) yes . . .
C110 C18 C112 143(3) yes . . .
C110 C18 C113 106.0(13) yes . . .
C111 C18 C112 145(4) yes . . .
C111 C18 C113 145(3) yes . . .
C112 C18 C113 45(2) yes . . .
C18 C19 C20 120.8(16) yes . . .
C18 C19 C112 10.3(19) yes . . .
C18 C19 C113 91.8(18) yes . . .
C20 C19 C112 129(3) yes . . .
C20 C19 C113 29.1(12) yes . . .
C112 C19 C113 100(3) yes . . .
C15 C20 C19 117.3(13) yes . . .
C15 C20 C108 25.3(7) yes . . .
C15 C20 C113 78.8(15) yes . . .
C19 C20 C108 92.4(11) yes . . .
C19 C20 C113 38.5(14) yes . . .
C108 C20 C113 54.1(13) yes . . .
N1 C21 C22 177.7(6) yes . . .
Ru1 C23 C24 73.3(3) yes . . .
Ru1 C23 C30 109.4(5) yes . . .
C24 C23 C30 120.5(7) yes . . .
Ru1 C24 C23 70.3(4) yes . . .
Ru1 C24 C25 113.0(4) yes . . .
C23 C24 C25 125.3(5) yes . . .
C24 C25 C26 116.5(6) yes . . .
C25 C26 C27 115.0(5) yes . . .
Ru1 C27 C26 114.7(3) yes . . .
Ru1 C27 C28 70.9(3) yes . . .
C26 C27 C28 122.8(6) yes . . .
Ru1 C28 C27 71.5(3) yes . . .
Ru1 C28 C29 112.3(4) yes . . .
C27 C28 C29 124.6(6) yes . . .
C28 C29 C30 115.1(7) yes . . .
C23 C30 C29 118.9(9) yes . . .
C7 C101 C8 99.6(15) yes . . .
C7 C101 C9 142.7(12) yes . . .
C7 C101 C15 102.7(9) yes . . .
C7 C101 C102 116.2(10) yes . . .
C8 C101 C9 108.5(16) yes . . .
C8 C101 C15 32.1(12) yes . . .
C8 C101 C102 137.4(16) yes . . .
C9 C101 C15 89.4(9) yes . . .
C9 C101 C102 29.5(9) yes . . .
C15 C101 C102 112.8(9) yes . . .
C9 C102 C10 46.3(13) yes . . .
C9 C102 C13 128.0(15) yes . . .
C9 C102 C14 126(3) yes . . .
C9 C102 C101 50.1(11) yes . . .
C9 C102 C103 70.5(15) yes . . .
C9 C102 C107 160(2) yes . . .
C10 C102 C13 98.0(9) yes . . .
C10 C102 C14 130.5(16) yes . . .
C10 C102 C101 89.3(10) yes . . .
C10 C102 C103 25.6(8) yes . . .
C10 C102 C107 149.9(12) yes . . .
C13 C102 C14 43.6(14) yes . . .
C13 C102 C101 163.7(12) yes . . .
C13 C102 C103 74.0(10) yes . . .
C13 C102 C107 54.9(10) yes . . .
C14 C102 C101 121.6(17) yes . . .
C14 C102 C103 113.0(16) yes . . .
C14 C102 C107 39.2(15) yes . . .
C101 C102 C103 114.8(13) yes . . .
C101 C102 C107 120.4(12) yes . . .
C103 C102 C107 124.2(13) yes . . .
C9 C103 C10 75.8(15) yes . . .
C9 C103 C11 161.3(17) yes . . .
C9 C103 C12 127.6(14) yes . . .
C9 C103 C14 47.9(9) yes . . .
C9 C103 C102 31.9(9) yes . . .
C9 C103 C104 143.4(17) yes . . .
C10 C103 C11 95(2) yes . . .
C10 C103 C12 150.4(18) yes . . .
C10 C103 C14 122.9(17) yes . . .
C10 C103 C102 106.4(17) yes . . .
C10 C103 C104 134(2) yes . . .
C11 C103 C12 56.7(13) yes . . .
C11 C103 C14 134.6(16) yes . . .
C11 C103 C102 157.1(18) yes . . .
C11 C103 C104 39.4(13) yes . . .
C12 C103 C14 80.2(10) yes . . .
C12 C103 C102 100.7(13) yes . . .
C12 C103 C104 17.3(11) yes . . .
C14 C103 C102 23.4(8) yes . . .
C14 C103 C104 97.1(14) yes . . .
C102 C103 C104 118.0(16) yes . . .
C11 C104 C12 178(3) yes . . .
C11 C104 C13 134.8(18) yes . . .
C11 C104 C103 54.0(15) yes . . .
C11 C104 C105 165.6(19) yes . . .
C12 C104 C13 43.0(18) yes . . .
C12 C104 C103 124(3) yes . . .
C12 C104 C105 14.7(17) yes . . .
C13 C104 C103 82.8(12) yes . . .
C13 C104 C105 40.5(12) yes . . .
C103 C104 C105 115.1(16) yes . . .
C12 C105 C13 77(3) yes . . .
C12 C105 C104 10.6(13) yes . . .
C12 C105 C106 133(3) yes . . .
C13 C105 C104 76.4(18) yes . . .
C13 C105 C106 57.5(18) yes . . .
C104 C105 C106 128.3(19) yes . . .
C13 C106 C105 52.2(17) yes . . .
C13 C106 C107 69.7(15) yes . . .
C105 C106 C107 112(2) yes . . .
C13 C107 C14 63.1(15) yes . . .
C13 C107 C102 79.3(13) yes . . .
C13 C107 C106 45.2(12) yes . . .
C14 C107 C102 34.5(14) yes . . .
C14 C107 C106 107.9(18) yes . . .
C102 C107 C106 120.7(16) yes . . .
C8 C108 C15 34.7(11) yes . . .
C8 C108 C16 100.2(16) yes . . .
C8 C108 C17 154.7(12) yes . . .
C8 C108 C20 89.5(9) yes . . .
C8 C108 C109 120.7(11) yes . . .
C8 C108 C113 115.2(11) yes . . .
C15 C108 C16 131(3) yes . . .
C15 C108 C17 160.2(15) yes . . .
C15 C108 C20 55.1(12) yes . . .
C15 C108 C109 155.4(17) yes . . .
C15 C108 C113 80.5(14) yes . . .
C16 C108 C17 55.0(15) yes . . .
C16 C108 C20 159.3(17) yes . . .
C16 C108 C109 32.6(14) yes . . .
C16 C108 C113 138.1(18) yes . . .
C17 C108 C20 112.4(10) yes . . .
C17 C108 C109 41.3(10) yes . . .
C17 C108 C113 86.3(11) yes . . .
C20 C108 C109 148.6(12) yes . . .
C20 C108 C113 26.1(8) yes . . .
C109 C108 C113 123.9(13) yes . . .
C16 C109 C17 93(2) yes . . .
C16 C109 C108 34.5(16) yes . . .
C16 C109 C110 134(3) yes . . .
C17 C109 C108 86.8(14) yes . . .
C17 C109 C110 41.6(14) yes . . .
C108 C109 C110 121.1(14) yes . . .
C17 C110 C18 50.6(16) yes . . .
C17 C110 C109 54.3(17) yes . . .
C17 C110 C111 75.2(18) yes . . .
C18 C110 C109 94.0(13) yes . . .
C18 C110 C111 26.3(11) yes . . .
C109 C110 C111 119.8(17) yes . . .
C17 C111 C18 72(2) yes . . .
C17 C111 C110 38.5(12) yes . . .
C17 C111 C112 83.5(15) yes . . .
C18 C111 C110 109(3) yes . . .
C18 C111 C112 15(2) yes . . .
C110 C111 C112 116.7(18) yes . . .
C17 C112 C18 35(3) yes . . .
C17 C112 C19 125(3) yes . . .
C17 C112 C111 48.0(12) yes . . .
C17 C112 C113 79.9(12) yes . . .
C18 C112 C19 157(4) yes . . .
C18 C112 C111 20(3) yes . . .
C18 C112 C113 115(3) yes . . .
C19 C112 C111 170(3) yes . . .
C19 C112 C113 45.2(18) yes . . .
C111 C112 C113 125.7(16) yes . . .
C15 C113 C18 122.8(12) yes . . .
C15 C113 C19 176.3(17) yes . . .
C15 C113 C20 70.8(15) yes . . .
C15 C113 C108 29.6(7) yes . . .
C15 C113 C112 142.3(14) yes . . .
C18 C113 C19 54.0(15) yes . . .
C18 C113 C20 166(2) yes . . .
C18 C113 C108 93.4(12) yes . . .
C18 C113 C112 20.0(12) yes . . .
C19 C113 C20 112(2) yes . . .
C19 C113 C108 146.9(18) yes . . .
C19 C113 C112 34.3(15) yes . . .
C20 C113 C108 99.8(17) yes . . .
C20 C113 C112 146(2) yes . . .
C108 C113 C112 112.6(14) yes . . .
Ru1 C1 H1A 116.335 no . . .
Ru1 C1 H1B 116.343 no . . .
C2 C1 H1A 116.346 no . . .
C2 C1 H1B 116.356 no . . .
H1A C1 H1B 113.323 no . . .
Ru1 C4 H4 112.341 no . . .
C3 C4 H4 112.339 no . . .
C7 C4 H4 112.360 no . . .
C2 C5 H5A 109.481 no . . .
C2 C5 H5B 109.473 no . . .
C2 C5 H5C 109.473 no . . .
H5A C5 H5B 109.468 no . . .
H5A C5 H5C 109.465 no . . .
H5B C5 H5C 109.467 no . . .
C3 C6 H6A 109.464 no . . .
C3 C6 H6B 109.466 no . . .
C3 C6 H6C 109.460 no . . .
H6A C6 H6B 109.477 no . . .
H6A C6 H6C 109.486 no . . .
H6B C6 H6C 109.475 no . . .
C21 C22 H22A 109.473 no . . .
C21 C22 H22B 109.472 no . . .
C21 C22 H22C 109.473 no . . .
H22A C22 H22B 109.477 no . . .
H22A C22 H22C 109.474 no . . .
H22B C22 H22C 109.457 no . . .
Ru1 C23 H23 115.418 no . . .
C24 C23 H23 115.413 no . . .
C30 C23 H23 115.413 no . . .
Ru1 C24 H24 113.538 no . . .
C23 C24 H24 113.544 no . . .
C25 C24 H24 113.526 no . . .
C24 C25 H25A 108.155 no . . .
C24 C25 H25B 108.161 no . . .
C26 C25 H25A 108.160 no . . .
C26 C25 H25B 108.159 no . . .
H25A C25 H25B 107.332 no . . .
C25 C26 H26A 108.525 no . . .
C25 C26 H26B 108.526 no . . .
C27 C26 H26A 108.517 no . . .
C27 C26 H26B 108.523 no . . .
H26A C26 H26B 107.523 no . . .
Ru1 C27 H27 113.836 no . . .
C26 C27 H27 113.837 no . . .
C28 C27 H27 113.828 no . . .
Ru1 C28 H28 113.712 no . . .
C27 C28 H28 113.721 no . . .
C29 C28 H28 113.707 no . . .
C28 C29 H29A 108.482 no . . .
C28 C29 H29B 108.489 no . . .
C30 C29 H29A 108.485 no . . .
C30 C29 H29B 108.484 no . . .
H29A C29 H29B 107.507 no . . .
C23 C30 H30A 107.596 no . . .
C23 C30 H30B 107.579 no . . .
C29 C30 H30A 107.586 no . . .
C29 C30 H30B 107.579 no . . .
H30A C30 H30B 107.035 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
N1 Ru1 C1 C2 -161.3(2) no . . . .
N1 Ru1 C2 C1 23.2(3) no . . . .
N1 Ru1 C2 C3 -109.6(3) no . . . .
N1 Ru1 C2 C5 135.4(4) no . . . .
N1 Ru1 C3 C2 100.0(3) no . . . .
N1 Ru1 C3 C4 -25.8(3) no . . . .
N1 Ru1 C3 C6 -144.0(4) no . . . .
N1 Ru1 C4 C3 160.1(2) no . . . .
N1 Ru1 C4 C7 -78.4(4) no . . . .
N1 Ru1 C23 C24 173.2(3) no . . . .
N1 Ru1 C23 C30 -69.7(4) no . . . .
N1 Ru1 C24 C23 -7.8(3) no . . . .
N1 Ru1 C24 C25 -128.8(3) no . . . .
N1 Ru1 C27 C26 128.8(3) no . . . .
N1 Ru1 C27 C28 10.7(3) no . . . .
N1 Ru1 C28 C27 -170.5(3) no . . . .
N1 Ru1 C28 C29 68.9(3) no . . . .
C1 Ru1 C2 C1 0.0(3) no . . . .
C1 Ru1 C2 C3 -132.8(4) no . . . .
C1 Ru1 C2 C5 112.2(5) no . . . .
C2 Ru1 C1 C2 -0.0(3) no . . . .
C1 Ru1 C3 C2 29.1(2) no . . . .
C1 Ru1 C3 C4 -96.7(3) no . . . .
C1 Ru1 C3 C6 145.1(5) no . . . .
C3 Ru1 C1 C2 -28.7(2) no . . . .
C1 Ru1 C4 C3 71.0(3) no . . . .
C1 Ru1 C4 C7 -167.5(4) no . . . .
C4 Ru1 C1 C2 -67.8(2) no . . . .
C1 Ru1 C24 C23 -177.6(3) no . . . .
C1 Ru1 C24 C25 61.4(5) no . . . .
C24 Ru1 C1 C2 9.9(5) no . . . .
C1 Ru1 C27 C26 -140.3(4) no . . . .
C1 Ru1 C27 C28 101.6(3) no . . . .
C27 Ru1 C1 C2 80.7(3) no . . . .
C1 Ru1 C28 C27 -82.0(3) no . . . .
C1 Ru1 C28 C29 157.3(4) no . . . .
C28 Ru1 C1 C2 118.0(3) no . . . .
C2 Ru1 C3 C2 -0.0(3) no . . . .
C2 Ru1 C3 C4 -125.8(4) no . . . .
C2 Ru1 C3 C6 116.0(6) no . . . .
C3 Ru1 C2 C1 132.8(4) no . . . .
C3 Ru1 C2 C3 -0.0(3) no . . . .
C3 Ru1 C2 C5 -115.0(6) no . . . .
C2 Ru1 C4 C3 32.6(2) no . . . .
C2 Ru1 C4 C7 154.1(4) no . . . .
C4 Ru1 C2 C1 99.5(3) no . . . .
C4 Ru1 C2 C3 -33.3(2) no . . . .
C4 Ru1 C2 C5 -148.3(5) no . . . .
C2 Ru1 C23 C24 15.7(5) no . . . .
C2 Ru1 C23 C30 132.8(4) no . . . .
C23 Ru1 C2 C1 175.4(3) no . . . .
C23 Ru1 C2 C3 42.6(5) no . . . .
C23 Ru1 C2 C5 -72.4(6) no . . . .
C2 Ru1 C24 C23 -171.06(17) no . . . .
C2 Ru1 C24 C25 67.9(3) no . . . .
C24 Ru1 C2 C1 -174.64(16) no . . . .
C24 Ru1 C2 C3 52.6(3) no . . . .
C24 Ru1 C2 C5 -62.4(4) no . . . .
C2 Ru1 C27 C26 -102.9(4) no . . . .
C2 Ru1 C27 C28 139.0(3) no . . . .
C27 Ru1 C2 C1 -98.5(3) no . . . .
C27 Ru1 C2 C3 128.7(3) no . . . .
C27 Ru1 C2 C5 13.7(4) no . . . .
C2 Ru1 C28 C27 -45.7(4) no . . . .
C2 Ru1 C28 C29 -166.4(3) no . . . .
C28 Ru1 C2 C1 -72.5(3) no . . . .
C28 Ru1 C2 C3 154.7(3) no . . . .
C28 Ru1 C2 C5 39.7(5) no . . . .
C3 Ru1 C4 C3 0.0(2) no . . . .
C3 Ru1 C4 C7 121.4(5) no . . . .
C4 Ru1 C3 C2 125.8(4) no . . . .
C4 Ru1 C3 C4 -0.0(3) no . . . .
C4 Ru1 C3 C6 -118.2(5) no . . . .
C3 Ru1 C23 C24 42.8(3) no . . . .
C3 Ru1 C23 C30 159.9(3) no . . . .
C23 Ru1 C3 C2 -156.3(3) no . . . .
C23 Ru1 C3 C4 77.9(3) no . . . .
C23 Ru1 C3 C6 -40.3(5) no . . . .
C3 Ru1 C24 C23 -142.2(2) no . . . .
C3 Ru1 C24 C25 96.8(3) no . . . .
C24 Ru1 C3 C2 -132.5(3) no . . . .
C24 Ru1 C3 C4 101.7(2) no . . . .
C24 Ru1 C3 C6 -16.5(4) no . . . .
C3 Ru1 C27 C26 -72.9(4) no . . . .
C3 Ru1 C27 C28 169.0(2) no . . . .
C27 Ru1 C3 C2 -55.3(3) no . . . .
C27 Ru1 C3 C4 178.9(2) no . . . .
C27 Ru1 C3 C6 60.7(4) no . . . .
C3 Ru1 C28 C27 -18.5(6) no . . . .
C3 Ru1 C28 C29 -139.2(3) no . . . .
C28 Ru1 C3 C2 -43.5(5) no . . . .
C28 Ru1 C3 C4 -169.3(3) no . . . .
C28 Ru1 C3 C6 72.5(6) no . . . .
C4 Ru1 C23 C24 81.2(3) no . . . .
C4 Ru1 C23 C30 -161.7(3) no . . . .
C23 Ru1 C4 C3 -115.3(3) no . . . .
C23 Ru1 C4 C7 6.1(4) no . . . .
C4 Ru1 C24 C23 -104.7(2) no . . . .
C4 Ru1 C24 C25 134.3(3) no . . . .
C24 Ru1 C4 C3 -79.2(3) no . . . .
C24 Ru1 C4 C7 42.2(4) no . . . .
C4 Ru1 C27 C26 -71.6(5) no . . . .
C4 Ru1 C27 C28 170.3(3) no . . . .
C27 Ru1 C4 C3 -1.9(5) no . . . .
C27 Ru1 C4 C7 119.5(4) no . . . .
C23 Ru1 C24 C23 0.0(3) no . . . .
C23 Ru1 C24 C25 -121.0(4) no . . . .
C24 Ru1 C23 C24 0.00(17) no . . . .
C24 Ru1 C23 C30 117.1(5) no . . . .
C23 Ru1 C27 C26 44.9(4) no . . . .
C23 Ru1 C27 C28 -73.2(3) no . . . .
C27 Ru1 C23 C24 -68.8(3) no . . . .
C27 Ru1 C23 C30 48.3(4) no . . . .
C23 Ru1 C28 C27 104.2(3) no . . . .
C23 Ru1 C28 C29 -16.4(4) no . . . .
C28 Ru1 C23 C24 -105.2(3) no . . . .
C28 Ru1 C23 C30 11.9(4) no . . . .
C24 Ru1 C27 C26 10.5(3) no . . . .
C24 Ru1 C27 C28 -107.6(3) no . . . .
C27 Ru1 C24 C23 108.1(2) no . . . .
C27 Ru1 C24 C25 -12.9(3) no . . . .
C24 Ru1 C28 C27 69.3(3) no . . . .
C24 Ru1 C28 C29 -51.4(4) no . . . .
C28 Ru1 C24 C23 72.5(2) no . . . .
C28 Ru1 C24 C25 -48.5(3) no . . . .
C27 Ru1 C28 C27 0.0(3) no . . . .
C27 Ru1 C28 C29 -120.7(6) no . . . .
C28 Ru1 C27 C26 118.1(5) no . . . .
C28 Ru1 C27 C28 0.0(3) no . . . .
Ru1 C1 C2 Ru1 -0.0 no . . . .
Ru1 C1 C2 C3 52.5(4) no . . . .
Ru1 C1 C2 C5 -125.8(4) no . . . .
Ru1 C2 C3 Ru1 0.0 no . . . .
Ru1 C2 C3 C4 58.0(3) no . . . .
Ru1 C2 C3 C6 -126.9(4) no . . . .
C1 C2 C3 Ru1 -52.1(4) no . . . .
C1 C2 C3 C4 5.9(6) no . . . .
C1 C2 C3 C6 -179.0(4) no . . . .
C5 C2 C3 Ru1 126.2(5) no . . . .
C5 C2 C3 C4 -175.9(4) no . . . .
C5 C2 C3 C6 -0.8(7) no . . . .
Ru1 C3 C4 Ru1 0.0 no . . . .
Ru1 C3 C4 C7 -109.2(5) no . . . .
C2 C3 C4 Ru1 -58.5(4) no . . . .
C2 C3 C4 C7 -167.7(4) no . . . .
C6 C3 C4 Ru1 126.6(5) no . . . .
C6 C3 C4 C7 17.4(8) no . . . .
Ru1 C4 C7 O1 -76.0(7) no . . . .
Ru1 C4 C7 C8 92.2(5) no . . . .
Ru1 C4 C7 C101 115.2(4) no . . . .
C3 C4 C7 O1 8.6(9) no . . . .
C3 C4 C7 C8 176.8(4) no . . . .
C3 C4 C7 C101 -160.2(5) no . . . .
O1 C7 C8 C9 -93.9(7) no . . . .
O1 C7 C8 C15 8.7(11) no . . . .
O1 C7 C8 C16 64.2(9) no . . . .
O1 C7 C8 C101 -112.7(10) no . . . .
O1 C7 C8 C108 35.6(9) no . . . .
O1 C7 C101 C8 79.5(13) no . . . .
O1 C7 C101 C9 -59.3(18) no . . . .
O1 C7 C101 C15 46.9(10) no . . . .
O1 C7 C101 C102 -76.7(10) no . . . .
C4 C7 C8 C9 96.7(7) no . . . .
C4 C7 C8 C15 -160.7(8) no . . . .
C4 C7 C8 C16 -105.1(8) no . . . .
C4 C7 C8 C101 77.9(11) no . . . .
C4 C7 C8 C108 -133.8(7) no . . . .
C4 C7 C101 C8 -111.3(11) no . . . .
C4 C7 C101 C9 109.8(15) no . . . .
C4 C7 C101 C15 -143.9(6) no . . . .
C4 C7 C101 C102 92.5(8) no . . . .
C8 C7 C101 C8 0.0(10) no . . . .
C8 C7 C101 C9 -139(3) no . . . .
C8 C7 C101 C15 -32.6(12) no . . . .
C8 C7 C101 C102 -156(2) no . . . .
C101 C7 C8 C9 18.8(12) no . . . .
C101 C7 C8 C15 121.4(19) no . . . .
C101 C7 C8 C16 177.0(19) no . . . .
C101 C7 C8 C101 0.0(11) no . . . .
C101 C7 C8 C108 148.3(19) no . . . .
C7 C8 C9 C10 -153.6(8) no . . . .
C7 C8 C9 C14 24.2(12) no . . . .
C7 C8 C9 C15 117.6(11) no . . . .
C7 C8 C9 C101 -21.6(8) no . . . .
C7 C8 C9 C102 -9.5(16) no . . . .
C7 C8 C9 C103 -137.7(17) no . . . .
C7 C8 C15 C9 -107.3(11) no . . . .
C7 C8 C15 C16 113.1(9) no . . . .
C7 C8 C15 C20 -68.9(18) no . . . .
C7 C8 C15 C108 99.1(17) no . . . .
C7 C8 C16 C15 -95.9(11) no . . . .
C7 C8 C16 C17 -94(3) no . . . .
C7 C8 C16 C108 -82.5(13) no . . . .
C7 C8 C16 C109 3(3) no . . . .
C7 C8 C101 C7 -0.0(3) no . . . .
C7 C8 C101 C9 155.1(16) no . . . .
C7 C8 C101 C15 98.7(18) no . . . .
C7 C8 C101 C102 148(3) no . . . .
C7 C8 C108 C15 -92.9(14) no . . . .
C7 C8 C108 C16 112.0(11) no . . . .
C7 C8 C108 C17 122.8(18) no . . . .
C7 C8 C108 C20 -86.3(8) no . . . .
C7 C8 C108 C109 84.8(13) no . . . .
C7 C8 C108 C113 -90.8(10) no . . . .
C9 C8 C15 C9 0.0(5) no . . . .
C9 C8 C15 C16 -139.5(9) no . . . .
C9 C8 C15 C20 38.4(19) no . . . .
C9 C8 C15 C108 -153.6(15) no . . . .
C15 C8 C9 C10 88.8(13) no . . . .
C15 C8 C9 C14 -93.4(13) no . . . .
C15 C8 C9 C15 0.0(7) no . . . .
C15 C8 C9 C101 -139.2(19) no . . . .
C15 C8 C9 C102 -127.1(16) no . . . .
C15 C8 C9 C103 105(2) no . . . .
C9 C8 C16 C15 56.3(12) no . . . .
C9 C8 C16 C17 59(3) no . . . .
C9 C8 C16 C108 69.7(16) no . . . .
C9 C8 C16 C109 155(2) no . . . .
C16 C8 C9 C10 50.0(15) no . . . .
C16 C8 C9 C14 -132.2(12) no . . . .
C16 C8 C9 C15 -38.8(9) no . . . .
C16 C8 C9 C101 -178(2) no . . . .
C16 C8 C9 C102 -165.9(13) no . . . .
C16 C8 C9 C103 66(3) no . . . .
C9 C8 C101 C7 -155.1(17) no . . . .
C9 C8 C101 C9 0.0(6) no . . . .
C9 C8 C101 C15 -56(3) no . . . .
C9 C8 C101 C102 -7.4(14) no . . . .
C101 C8 C9 C10 -132(2) no . . . .
C101 C8 C9 C14 46(2) no . . . .
C101 C8 C9 C15 139(3) no . . . .
C101 C8 C9 C101 0.0(14) no . . . .
C101 C8 C9 C102 12(2) no . . . .
C101 C8 C9 C103 -116(3) no . . . .
C9 C8 C108 C15 29.7(14) no . . . .
C9 C8 C108 C16 -125.3(11) no . . . .
C9 C8 C108 C17 -114.6(18) no . . . .
C9 C8 C108 C20 36.3(11) no . . . .
C9 C8 C108 C109 -152.6(10) no . . . .
C9 C8 C108 C113 31.8(15) no . . . .
C108 C8 C9 C10 77.0(13) no . . . .
C108 C8 C9 C14 -105.2(12) no . . . .
C108 C8 C9 C15 -11.8(6) no . . . .
C108 C8 C9 C101 -151.0(19) no . . . .
C108 C8 C9 C102 -138.9(14) no . . . .
C108 C8 C9 C103 93(2) no . . . .
C15 C8 C16 C15 0.0(8) no . . . .
C15 C8 C16 C17 2(3) no . . . .
C15 C8 C16 C108 13.3(11) no . . . .
C15 C8 C16 C109 99(3) no . . . .
C16 C8 C15 C9 139.5(10) no . . . .
C16 C8 C15 C16 0.0(7) no . . . .
C16 C8 C15 C20 178(3) no . . . .
C16 C8 C15 C108 -14.1(12) no . . . .
C15 C8 C101 C7 -98.7(19) no . . . .
C15 C8 C101 C9 56(3) no . . . .
C15 C8 C101 C15 0.0(8) no . . . .
C15 C8 C101 C102 49(4) no . . . .
C101 C8 C15 C9 -38.6(19) no . . . .
C101 C8 C15 C16 -178(2) no . . . .
C101 C8 C15 C20 -0(4) no . . . .
C101 C8 C15 C108 168(2) no . . . .
C15 C8 C108 C15 0.0(16) no . . . .
C15 C8 C108 C16 -155(3) no . . . .
C15 C8 C108 C17 -144(3) no . . . .
C15 C8 C108 C20 6.6(18) no . . . .
C15 C8 C108 C109 178(3) no . . . .
C15 C8 C108 C113 2.1(18) no . . . .
C108 C8 C15 C9 153.6(18) no . . . .
C108 C8 C15 C16 14.1(15) no . . . .
C108 C8 C15 C20 -168(4) no . . . .
C108 C8 C15 C108 0.0(12) no . . . .
C16 C8 C108 C15 155(3) no . . . .
C16 C8 C108 C16 0.0(11) no . . . .
C16 C8 C108 C17 10.7(16) no . . . .
C16 C8 C108 C20 161.6(17) no . . . .
C16 C8 C108 C109 -27.3(12) no . . . .
C16 C8 C108 C113 157(2) no . . . .
C108 C8 C16 C15 -13.3(12) no . . . .
C108 C8 C16 C17 -11.1(18) no . . . .
C108 C8 C16 C108 -0.0(10) no . . . .
C108 C8 C16 C109 86(3) no . . . .
C101 C8 C108 C15 -21(4) no . . . .
C101 C8 C108 C16 -176(4) no . . . .
C101 C8 C108 C17 -165(3) no . . . .
C101 C8 C108 C20 -14(4) no . . . .
C101 C8 C108 C109 157(4) no . . . .
C101 C8 C108 C113 -19(4) no . . . .
C108 C8 C101 C7 -88(4) no . . . .
C108 C8 C101 C9 67(4) no . . . .
C108 C8 C101 C15 10.7(18) no . . . .
C108 C8 C101 C102 60(5) no . . . .
C8 C9 C10 C11 -179.6(9) no . . . .
C8 C9 C10 C102 148.4(17) no . . . .
C8 C9 C10 C103 165.9(11) no . . . .
C8 C9 C14 C13 177.7(10) no . . . .
C8 C9 C14 C102 -99.8(18) no . . . .
C8 C9 C14 C103 -171.0(13) no . . . .
C8 C9 C14 C107 -76(3) no . . . .
C8 C9 C15 C8 0.0(9) no . . . .
C8 C9 C15 C16 62.0(13) no . . . .
C8 C9 C15 C20 -155.7(14) no . . . .
C8 C9 C15 C101 -19.2(10) no . . . .
C8 C9 C15 C108 81(3) no . . . .
C8 C9 C15 C113 -172.7(16) no . . . .
C8 C9 C101 C7 137(3) no . . . .
C8 C9 C101 C8 -0.0(12) no . . . .
C8 C9 C101 C15 26.3(15) no . . . .
C8 C9 C101 C102 169.8(18) no . . . .
C8 C9 C102 C10 -146(2) no . . . .
C8 C9 C102 C13 154.3(11) no . . . .
C8 C9 C102 C14 99(2) no . . . .
C8 C9 C102 C101 -4.8(8) no . . . .
C8 C9 C102 C103 -156.1(15) no . . . .
C8 C9 C102 C107 64(5) no . . . .
C8 C9 C103 C10 -25(3) no . . . .
C8 C9 C103 C12 174.9(15) no . . . .
C8 C9 C103 C14 165(3) no . . . .
C8 C9 C103 C102 138(3) no . . . .
C8 C9 C103 C104 -175.0(16) no . . . .
C10 C9 C14 C13 -4.5(18) no . . . .
C10 C9 C14 C102 78.0(17) no . . . .
C10 C9 C14 C103 6.8(8) no . . . .
C10 C9 C14 C107 102(2) no . . . .
C14 C9 C10 C11 2.5(16) no . . . .
C14 C9 C10 C102 -29.5(9) no . . . .
C14 C9 C10 C103 -12.0(13) no . . . .
C10 C9 C15 C8 -106.2(11) no . . . .
C10 C9 C15 C16 -44.2(13) no . . . .
C10 C9 C15 C20 98.1(9) no . . . .
C10 C9 C15 C101 -125.4(11) no . . . .
C10 C9 C15 C108 -25(3) no . . . .
C10 C9 C15 C113 81.1(11) no . . . .
C15 C9 C10 C11 -144.5(8) no . . . .
C15 C9 C10 C102 -176.5(16) no . . . .
C15 C9 C10 C103 -158.9(9) no . . . .
C10 C9 C101 C7 -162.3(13) no . . . .
C10 C9 C101 C8 61(2) no . . . .
C10 C9 C101 C15 87.2(14) no . . . .
C10 C9 C101 C102 -129(2) no . . . .
C101 C9 C10 C11 157.6(12) no . . . .
C101 C9 C10 C102 126(2) no . . . .
C101 C9 C10 C103 143.1(15) no . . . .
C10 C9 C102 C10 -0.0(5) no . . . .
C10 C9 C102 C13 -60(2) no . . . .
C10 C9 C102 C14 -114.9(19) no . . . .
C10 C9 C102 C101 141.2(16) no . . . .
C10 C9 C102 C103 -10.1(9) no . . . .
C10 C9 C102 C107 -150(4) no . . . .
C102 C9 C10 C11 32.0(18) no . . . .
C102 C9 C10 C102 0.0(10) no . . . .
C102 C9 C10 C103 17.5(16) no . . . .
C10 C9 C103 C10 0.0(9) no . . . .
C10 C9 C103 C12 -160(3) no . . . .
C10 C9 C103 C14 -169.6(14) no . . . .
C10 C9 C103 C102 163.2(16) no . . . .
C10 C9 C103 C104 -150(3) no . . . .
C103 C9 C10 C11 14.5(12) no . . . .
C103 C9 C10 C102 -17.5(16) no . . . .
C103 C9 C10 C103 0.0(11) no . . . .
C14 C9 C15 C8 106.6(12) no . . . .
C14 C9 C15 C16 168.6(10) no . . . .
C14 C9 C15 C20 -49.1(11) no . . . .
C14 C9 C15 C101 87.5(11) no . . . .
C14 C9 C15 C108 -172(3) no . . . .
C14 C9 C15 C113 -66.0(13) no . . . .
C15 C9 C14 C13 140.1(10) no . . . .
C15 C9 C14 C102 -137.4(17) no . . . .
C15 C9 C14 C103 151.4(11) no . . . .
C15 C9 C14 C107 -113.9(18) no . . . .
C14 C9 C101 C7 -5(3) no . . . .
C14 C9 C101 C8 -141.4(14) no . . . .
C14 C9 C101 C15 -115.1(10) no . . . .
C14 C9 C101 C102 28.4(9) no . . . .
C101 C9 C14 C13 -165.2(11) no . . . .
C101 C9 C14 C102 -82.7(16) no . . . .
C101 C9 C14 C103 -153.9(12) no . . . .
C101 C9 C14 C107 -59(3) no . . . .
C14 C9 C102 C10 115(3) no . . . .
C14 C9 C102 C13 55.3(19) no . . . .
C14 C9 C102 C14 -0.0(13) no . . . .
C14 C9 C102 C101 -104(3) no . . . .
C14 C9 C102 C103 105(3) no . . . .
C14 C9 C102 C107 -35(4) no . . . .
C102 C9 C14 C13 -82(3) no . . . .
C102 C9 C14 C102 -0.0(19) no . . . .
C102 C9 C14 C103 -71(3) no . . . .
C102 C9 C14 C107 24(3) no . . . .
C14 C9 C103 C10 169.6(13) no . . . .
C14 C9 C103 C12 9.9(15) no . . . .
C14 C9 C103 C14 0.0(6) no . . . .
C14 C9 C103 C102 -27.2(8) no . . . .
C14 C9 C103 C104 20(3) no . . . .
C103 C9 C14 C13 -11.3(14) no . . . .
C103 C9 C14 C102 71.2(16) no . . . .
C103 C9 C14 C103 -0.0(7) no . . . .
C103 C9 C14 C107 95(2) no . . . .
C15 C9 C101 C7 110.5(18) no . . . .
C15 C9 C101 C8 -26.3(10) no . . . .
C15 C9 C101 C15 0.0(5) no . . . .
C15 C9 C101 C102 143.4(12) no . . . .
C101 C9 C15 C8 19.2(8) no . . . .
C101 C9 C15 C16 81.2(13) no . . . .
C101 C9 C15 C20 -136.5(11) no . . . .
C101 C9 C15 C101 0.0(7) no . . . .
C101 C9 C15 C108 100(3) no . . . .
C101 C9 C15 C113 -153.5(13) no . . . .
C15 C9 C102 C10 175(3) no . . . .
C15 C9 C102 C13 115.6(17) no . . . .
C15 C9 C102 C14 60(3) no . . . .
C15 C9 C102 C101 -43.6(13) no . . . .
C15 C9 C102 C103 165.1(18) no . . . .
C15 C9 C102 C107 25(6) no . . . .
C102 C9 C15 C8 79(2) no . . . .
C102 C9 C15 C16 141(2) no . . . .
C102 C9 C15 C20 -77(2) no . . . .
C102 C9 C15 C101 59.5(19) no . . . .
C102 C9 C15 C108 160(3) no . . . .
C102 C9 C15 C113 -94(2) no . . . .
C15 C9 C103 C10 34(2) no . . . .
C15 C9 C103 C12 -126.1(16) no . . . .
C15 C9 C103 C14 -136.0(18) no . . . .
C15 C9 C103 C102 -163(2) no . . . .
C15 C9 C103 C104 -116(3) no . . . .
C103 C9 C15 C8 -125.9(19) no . . . .
C103 C9 C15 C16 -64(2) no . . . .
C103 C9 C15 C20 78.4(18) no . . . .
C103 C9 C15 C101 -145(2) no . . . .
C103 C9 C15 C108 -45(4) no . . . .
C103 C9 C15 C113 61(2) no . . . .
C101 C9 C102 C10 -141.2(16) no . . . .
C101 C9 C102 C13 159.2(14) no . . . .
C101 C9 C102 C14 103.9(19) no . . . .
C101 C9 C102 C101 -0.0(6) no . . . .
C101 C9 C102 C103 -151.3(12) no . . . .
C101 C9 C102 C107 68(5) no . . . .
C102 C9 C101 C7 -33(3) no . . . .
C102 C9 C101 C8 -169.8(18) no . . . .
C102 C9 C101 C15 -143.4(15) no . . . .
C102 C9 C101 C102 0.0(11) no . . . .
C101 C9 C103 C10 -74(3) no . . . .
C101 C9 C103 C12 126(3) no . . . .
C101 C9 C103 C14 116(3) no . . . .
C101 C9 C103 C102 89(3) no . . . .
C101 C9 C103 C104 136(3) no . . . .
C103 C9 C101 C7 -116(3) no . . . .
C103 C9 C101 C8 107(3) no . . . .
C103 C9 C101 C15 133(3) no . . . .
C103 C9 C101 C102 -83(3) no . . . .
C102 C9 C103 C10 -163.2(17) no . . . .
C102 C9 C103 C12 37.1(18) no . . . .
C102 C9 C103 C14 27.2(11) no . . . .
C102 C9 C103 C102 -0.0(10) no . . . .
C102 C9 C103 C104 47(3) no . . . .
C103 C9 C102 C10 10.1(10) no . . . .
C103 C9 C102 C13 -49.6(17) no . . . .
C103 C9 C102 C14 -104.8(19) no . . . .
C103 C9 C102 C101 151.3(12) no . . . .
C103 C9 C102 C103 0.0(7) no . . . .
C103 C9 C102 C107 -140(5) no . . . .
C9 C10 C11 C12 -6.2(17) no . . . .
C9 C10 C11 C103 -17.8(10) no . . . .
C9 C10 C11 C104 -7(2) no . . . .
C9 C10 C102 C9 0.0(11) no . . . .
C9 C10 C102 C13 136.7(17) no . . . .
C9 C10 C102 C14 104(3) no . . . .
C9 C10 C102 C101 -28.7(13) no . . . .
C9 C10 C102 C103 158(2) no . . . .
C9 C10 C102 C107 160(3) no . . . .
C9 C10 C103 C9 -0.0(5) no . . . .
C9 C10 C103 C11 163.3(14) no . . . .
C9 C10 C103 C12 146(4) no . . . .
C9 C10 C103 C14 9.2(12) no . . . .
C9 C10 C103 C102 -9.1(9) no . . . .
C9 C10 C103 C104 155(3) no . . . .
C11 C10 C102 C9 -151.8(14) no . . . .
C11 C10 C102 C13 -15.1(10) no . . . .
C11 C10 C102 C14 -47.7(19) no . . . .
C11 C10 C102 C101 179.5(9) no . . . .
C11 C10 C102 C103 5.9(8) no . . . .
C11 C10 C102 C107 8(3) no . . . .
C102 C10 C11 C12 5.9(13) no . . . .
C102 C10 C11 C103 -5.7(8) no . . . .
C102 C10 C11 C104 5.0(18) no . . . .
C11 C10 C103 C9 -163.3(15) no . . . .
C11 C10 C103 C11 -0.0(8) no . . . .
C11 C10 C103 C12 -17(3) no . . . .
C11 C10 C103 C14 -154(3) no . . . .
C11 C10 C103 C102 -172(2) no . . . .
C11 C10 C103 C104 -8.1(16) no . . . .
C103 C10 C11 C12 11.6(18) no . . . .
C103 C10 C11 C103 -0.0(14) no . . . .
C103 C10 C11 C104 11(2) no . . . .
C102 C10 C103 C9 9.1(9) no . . . .
C102 C10 C103 C11 172(2) no . . . .
C102 C10 C103 C12 155(5) no . . . .
C102 C10 C103 C14 18.3(8) no . . . .
C102 C10 C103 C102 -0.0(6) no . . . .
C102 C10 C103 C104 164(4) no . . . .
C103 C10 C102 C9 -158(3) no . . . .
C103 C10 C102 C13 -21.0(17) no . . . .
C103 C10 C102 C14 -54(3) no . . . .
C103 C10 C102 C101 173.6(19) no . . . .
C103 C10 C102 C103 -0.0(15) no . . . .
C103 C10 C102 C107 3(3) no . . . .
C10 C11 C12 C13 12.5(19) no . . . .
C10 C11 C12 C103 -6.5(7) no . . . .
C10 C11 C12 C105 -57(5) no . . . .
C10 C11 C103 C10 -0.0(9) no . . . .
C10 C11 C103 C12 170.0(16) no . . . .
C10 C11 C103 C14 149(3) no . . . .
C10 C11 C103 C102 161(5) no . . . .
C10 C11 C103 C104 170.8(17) no . . . .
C10 C11 C104 C13 14(3) no . . . .
C10 C11 C104 C103 -6.1(10) no . . . .
C12 C11 C103 C10 -170.0(14) no . . . .
C12 C11 C103 C12 0.0(6) no . . . .
C12 C11 C103 C14 -21(2) no . . . .
C12 C11 C103 C102 -9(5) no . . . .
C12 C11 C103 C104 0.8(8) no . . . .
C103 C11 C12 C13 19.0(16) no . . . .
C103 C11 C12 C103 0.0(8) no . . . .
C103 C11 C12 C105 -51(4) no . . . .
C103 C11 C104 C13 20(3) no . . . .
C103 C11 C104 C103 -0.0(8) no . . . .
C104 C11 C103 C10 -170.8(18) no . . . .
C104 C11 C103 C12 -0.8(11) no . . . .
C104 C11 C103 C14 -22(3) no . . . .
C104 C11 C103 C102 -10(5) no . . . .
C104 C11 C103 C104 0.0(10) no . . . .
C11 C12 C13 C14 -16(3) no . . . .
C11 C12 C13 C102 -22.1(17) no . . . .
C11 C12 C13 C104 -0.8(11) no . . . .
C11 C12 C13 C105 -152.4(17) no . . . .
C11 C12 C13 C106 -138.6(14) no . . . .
C11 C12 C13 C107 -61(3) no . . . .
C11 C12 C103 C9 158(2) no . . . .
C11 C12 C103 C10 21(3) no . . . .
C11 C12 C103 C11 0.0(9) no . . . .
C11 C12 C103 C14 165.0(14) no . . . .
C11 C12 C103 C102 176.5(17) no . . . .
C11 C12 C105 C13 83(5) no . . . .
C11 C12 C105 C106 67(7) no . . . .
C13 C12 C103 C9 -5.0(17) no . . . .
C13 C12 C103 C10 -142(4) no . . . .
C13 C12 C103 C11 -162.5(15) no . . . .
C13 C12 C103 C14 2.5(10) no . . . .
C13 C12 C103 C102 13.9(13) no . . . .
C103 C12 C13 C14 -4.0(17) no . . . .
C103 C12 C13 C102 -10.5(10) no . . . .
C103 C12 C13 C104 10.8(16) no . . . .
C103 C12 C13 C105 -140.8(13) no . . . .
C103 C12 C13 C106 -127.0(14) no . . . .
C103 C12 C13 C107 -49(2) no . . . .
C13 C12 C104 C13 0.0(9) no . . . .
C13 C12 C104 C103 17(4) no . . . .
C104 C12 C13 C14 -15(4) no . . . .
C104 C12 C13 C102 -21(3) no . . . .
C104 C12 C13 C104 0.0(14) no . . . .
C104 C12 C13 C105 -152(3) no . . . .
C104 C12 C13 C106 -138(3) no . . . .
C104 C12 C13 C107 -60(4) no . . . .
C13 C12 C105 C13 0.0(9) no . . . .
C13 C12 C105 C106 -15(3) no . . . .
C105 C12 C13 C14 137(3) no . . . .
C105 C12 C13 C102 130(2) no . . . .
C105 C12 C13 C104 152(3) no . . . .
C105 C12 C13 C105 0.0(16) no . . . .
C105 C12 C13 C106 14(2) no . . . .
C105 C12 C13 C107 92(3) no . . . .
C103 C12 C104 C13 -17(4) no . . . .
C103 C12 C104 C103 -0.0(8) no . . . .
C104 C12 C103 C9 159(3) no . . . .
C104 C12 C103 C10 22(5) no . . . .
C104 C12 C103 C11 2(3) no . . . .
C104 C12 C103 C14 167(3) no . . . .
C104 C12 C103 C102 178(3) no . . . .
C103 C12 C105 C13 48(2) no . . . .
C103 C12 C105 C106 33(5) no . . . .
C105 C12 C103 C9 -46(3) no . . . .
C105 C12 C103 C10 177(4) no . . . .
C105 C12 C103 C11 157(3) no . . . .
C105 C12 C103 C14 -38(3) no . . . .
C105 C12 C103 C102 -27(3) no . . . .
C104 C12 C105 C13 86(7) no . . . .
C104 C12 C105 C106 71(8) no . . . .
C105 C12 C104 C13 -72(7) no . . . .
C105 C12 C104 C103 -55(8) no . . . .
C12 C13 C14 C9 12(3) no . . . .
C12 C13 C14 C102 -16(3) no . . . .
C12 C13 C14 C103 4.0(18) no . . . .
C12 C13 C14 C107 -120(2) no . . . .
C12 C13 C102 C9 62(3) no . . . .
C12 C13 C102 C10 23.2(14) no . . . .
C12 C13 C102 C14 166.8(19) no . . . .
C12 C13 C102 C103 13.9(12) no . . . .
C12 C13 C102 C107 -142.6(16) no . . . .
C12 C13 C104 C11 178(4) no . . . .
C12 C13 C104 C12 0.0(19) no . . . .
C12 C13 C104 C103 -166(3) no . . . .
C12 C13 C104 C105 -22(3) no . . . .
C12 C13 C105 C12 0.0(10) no . . . .
C12 C13 C105 C104 10.9(12) no . . . .
C12 C13 C105 C106 167(2) no . . . .
C12 C13 C106 C105 -10.2(12) no . . . .
C12 C13 C106 C107 131.4(16) no . . . .
C12 C13 C107 C14 90(3) no . . . .
C12 C13 C107 C102 58(3) no . . . .
C12 C13 C107 C106 -99(3) no . . . .
C14 C13 C102 C9 -105(3) no . . . .
C14 C13 C102 C10 -144(2) no . . . .
C14 C13 C102 C14 0.0(16) no . . . .
C14 C13 C102 C103 -153(3) no . . . .
C14 C13 C102 C107 50.6(18) no . . . .
C102 C13 C14 C9 28.4(13) no . . . .
C102 C13 C14 C102 -0.0(10) no . . . .
C102 C13 C14 C103 20.0(16) no . . . .
C102 C13 C14 C107 -104(2) no . . . .
C14 C13 C104 C11 -14(3) no . . . .
C14 C13 C104 C12 168(2) no . . . .
C14 C13 C104 C103 1.9(13) no . . . .
C14 C13 C104 C105 145.7(17) no . . . .
C104 C13 C14 C9 7.0(18) no . . . .
C104 C13 C14 C102 -21(2) no . . . .
C104 C13 C14 C103 -1.4(10) no . . . .
C104 C13 C14 C107 -125.7(14) no . . . .
C14 C13 C105 C12 -89(4) no . . . .
C14 C13 C105 C104 -78(4) no . . . .
C14 C13 C105 C106 77(4) no . . . .
C105 C13 C14 C9 72(5) no . . . .
C105 C13 C14 C102 44(5) no . . . .
C105 C13 C14 C103 64(4) no . . . .
C105 C13 C14 C107 -60(5) no . . . .
C14 C13 C106 C105 -146.9(17) no . . . .
C14 C13 C106 C107 -5.3(11) no . . . .
C106 C13 C14 C9 141.1(17) no . . . .
C106 C13 C14 C102 113(2) no . . . .
C106 C13 C14 C103 132.6(16) no . . . .
C106 C13 C14 C107 8.3(18) no . . . .
C14 C13 C107 C14 0.0(12) no . . . .
C14 C13 C107 C102 -32.4(14) no . . . .
C14 C13 C107 C106 171(2) no . . . .
C107 C13 C14 C9 133(3) no . . . .
C107 C13 C14 C102 104(3) no . . . .
C107 C13 C14 C103 124.3(17) no . . . .
C107 C13 C14 C107 -0.0(12) no . . . .
C102 C13 C104 C11 -23(2) no . . . .
C102 C13 C104 C12 159.2(18) no . . . .
C102 C13 C104 C103 -6.5(8) no . . . .
C102 C13 C104 C105 137.4(12) no . . . .
C104 C13 C102 C9 55(2) no . . . .
C104 C13 C102 C10 15.8(10) no . . . .
C104 C13 C102 C14 159.3(16) no . . . .
C104 C13 C102 C103 6.5(8) no . . . .
C104 C13 C102 C107 -150.1(12) no . . . .
C102 C13 C105 C12 -69(3) no . . . .
C102 C13 C105 C104 -58(2) no . . . .
C102 C13 C105 C106 98(2) no . . . .
C105 C13 C102 C9 104(3) no . . . .
C105 C13 C102 C10 65(3) no . . . .
C105 C13 C102 C14 -151(3) no . . . .
C105 C13 C102 C103 56(3) no . . . .
C105 C13 C102 C107 -101(3) no . . . .
C102 C13 C106 C105 -124.3(15) no . . . .
C102 C13 C106 C107 17.3(11) no . . . .
C106 C13 C102 C9 -177(2) no . . . .
C106 C13 C102 C10 143.7(16) no . . . .
C106 C13 C102 C14 -72.7(19) no . . . .
C106 C13 C102 C103 134.4(18) no . . . .
C106 C13 C102 C107 -22.1(15) no . . . .
C102 C13 C107 C14 32.4(8) no . . . .
C102 C13 C107 C102 0.0(6) no . . . .
C102 C13 C107 C106 -156.7(13) no . . . .
C107 C13 C102 C9 -155(3) no . . . .
C107 C13 C102 C10 165.8(13) no . . . .
C107 C13 C102 C14 -50.6(13) no . . . .
C107 C13 C102 C103 156.6(13) no . . . .
C107 C13 C102 C107 0.0(9) no . . . .
C104 C13 C105 C12 -10.9(8) no . . . .
C104 C13 C105 C104 -0.0(6) no . . . .
C104 C13 C105 C106 155.6(13) no . . . .
C105 C13 C104 C11 -160(3) no . . . .
C105 C13 C104 C12 21.9(17) no . . . .
C105 C13 C104 C103 -143.8(16) no . . . .
C105 C13 C104 C105 0.0(13) no . . . .
C104 C13 C106 C105 -27.8(15) no . . . .
C104 C13 C106 C107 113.8(17) no . . . .
C106 C13 C104 C11 -130(3) no . . . .
C106 C13 C104 C12 51(3) no . . . .
C106 C13 C104 C103 -114.4(19) no . . . .
C106 C13 C104 C105 29.5(16) no . . . .
C104 C13 C107 C14 68.8(18) no . . . .
C104 C13 C107 C102 36.4(16) no . . . .
C104 C13 C107 C106 -120.3(18) no . . . .
C107 C13 C104 C11 -48(3) no . . . .
C107 C13 C104 C12 134(3) no . . . .
C107 C13 C104 C103 -31.8(17) no . . . .
C107 C13 C104 C105 112.0(19) no . . . .
C105 C13 C106 C105 -0.0(12) no . . . .
C105 C13 C106 C107 141.6(17) no . . . .
C106 C13 C105 C12 -167(2) no . . . .
C106 C13 C105 C104 -155.6(16) no . . . .
C106 C13 C105 C106 0.0(10) no . . . .
C105 C13 C107 C14 146(3) no . . . .
C105 C13 C107 C102 113(3) no . . . .
C105 C13 C107 C106 -44(2) no . . . .
C107 C13 C105 C12 -125(2) no . . . .
C107 C13 C105 C104 -114.1(19) no . . . .
C107 C13 C105 C106 41.5(18) no . . . .
C106 C13 C107 C14 -171(2) no . . . .
C106 C13 C107 C102 156.7(17) no . . . .
C106 C13 C107 C106 -0.0(12) no . . . .
C107 C13 C106 C105 -141.6(14) no . . . .
C107 C13 C106 C107 -0.0(7) no . . . .
C9 C14 C102 C9 0.0(10) no . . . .
C9 C14 C102 C10 -60(2) no . . . .
C9 C14 C102 C13 -110(3) no . . . .
C9 C14 C102 C101 61(2) no . . . .
C9 C14 C102 C103 -82(3) no . . . .
C9 C14 C102 C107 161.7(19) no . . . .
C9 C14 C103 C9 0.0(6) no . . . .
C9 C14 C103 C10 -12.0(14) no . . . .
C9 C14 C103 C11 -154(3) no . . . .
C9 C14 C103 C12 -172.1(12) no . . . .
C9 C14 C103 C102 37.4(11) no . . . .
C9 C14 C103 C104 -168.1(14) no . . . .
C9 C14 C107 C13 -122(3) no . . . .
C9 C14 C107 C102 -10.6(10) no . . . .
C9 C14 C107 C106 -129.1(17) no . . . .
C13 C14 C102 C9 110(2) no . . . .
C13 C14 C102 C10 51(3) no . . . .
C13 C14 C102 C13 -0.0(8) no . . . .
C13 C14 C102 C101 171.2(12) no . . . .
C13 C14 C102 C103 28(3) no . . . .
C13 C14 C102 C107 -88.1(19) no . . . .
C13 C14 C103 C9 169.8(13) no . . . .
C13 C14 C103 C10 157.7(18) no . . . .
C13 C14 C103 C11 15.4(19) no . . . .
C13 C14 C103 C12 -2.3(9) no . . . .
C13 C14 C103 C102 -152.8(18) no . . . .
C13 C14 C103 C104 1.7(11) no . . . .
C13 C14 C107 C13 0.0(8) no . . . .
C13 C14 C107 C102 111.7(19) no . . . .
C13 C14 C107 C106 -6.8(15) no . . . .
C102 C14 C103 C9 -37.4(16) no . . . .
C102 C14 C103 C10 -49(3) no . . . .
C102 C14 C103 C11 168(3) no . . . .
C102 C14 C103 C12 151(2) no . . . .
C102 C14 C103 C102 0.0(14) no . . . .
C102 C14 C103 C104 155(2) no . . . .
C103 C14 C102 C9 82(3) no . . . .
C103 C14 C102 C10 22.2(10) no . . . .
C103 C14 C102 C13 -28(3) no . . . .
C103 C14 C102 C101 143(3) no . . . .
C103 C14 C102 C103 0.0(7) no . . . .
C103 C14 C102 C107 -116.5(16) no . . . .
C102 C14 C107 C13 -111.7(19) no . . . .
C102 C14 C107 C102 -0.0(9) no . . . .
C102 C14 C107 C106 -118.5(18) no . . . .
C107 C14 C102 C9 -162(2) no . . . .
C107 C14 C102 C10 138.8(18) no . . . .
C107 C14 C102 C13 88(2) no . . . .
C107 C14 C102 C101 -101(2) no . . . .
C107 C14 C102 C103 116.5(18) no . . . .
C107 C14 C102 C107 0.0(11) no . . . .
C103 C14 C107 C13 -66.3(12) no . . . .
C103 C14 C107 C102 45.4(13) no . . . .
C103 C14 C107 C106 -73.1(18) no . . . .
C107 C14 C103 C9 -119.6(19) no . . . .
C107 C14 C103 C10 -132(2) no . . . .
C107 C14 C103 C11 86(3) no . . . .
C107 C14 C103 C12 68.4(17) no . . . .
C107 C14 C103 C102 -82(2) no . . . .
C107 C14 C103 C104 72.3(19) no . . . .
C8 C15 C16 C8 0.0(7) no . . . .
C8 C15 C16 C17 -178.7(13) no . . . .
C8 C15 C16 C108 -152(2) no . . . .
C8 C15 C16 C109 -115(3) no . . . .
C8 C15 C20 C19 179.6(16) no . . . .
C8 C15 C20 C108 170(3) no . . . .
C8 C15 C20 C113 -179.0(18) no . . . .
C8 C15 C108 C8 0.0(8) no . . . .
C8 C15 C108 C16 33(3) no . . . .
C8 C15 C108 C20 -172(3) no . . . .
C8 C15 C108 C109 -5(6) no . . . .
C8 C15 C108 C113 -178.1(16) no . . . .
C9 C15 C16 C8 -45.0(9) no . . . .
C9 C15 C16 C17 136.3(12) no . . . .
C9 C15 C16 C108 163(2) no . . . .
C9 C15 C16 C109 -159.9(17) no . . . .
C9 C15 C20 C19 -151.0(10) no . . . .
C9 C15 C20 C108 -160.9(14) no . . . .
C9 C15 C20 C113 -149.5(11) no . . . .
C9 C15 C101 C7 -144.4(12) no . . . .
C9 C15 C101 C8 127.8(19) no . . . .
C9 C15 C101 C9 0.0(6) no . . . .
C9 C15 C101 C102 -18.5(7) no . . . .
C9 C15 C108 C8 -66(3) no . . . .
C9 C15 C108 C16 -33(5) no . . . .
C9 C15 C108 C20 122(4) no . . . .
C9 C15 C108 C109 -71(6) no . . . .
C9 C15 C108 C113 116(4) no . . . .
C9 C15 C113 C18 -148.5(9) no . . . .
C9 C15 C113 C20 35.2(14) no . . . .
C9 C15 C113 C108 -156.8(15) no . . . .
C9 C15 C113 C112 -154.8(16) no . . . .
C16 C15 C20 C19 -2.9(18) no . . . .
C16 C15 C20 C108 -12.8(9) no . . . .
C16 C15 C20 C113 -1.4(17) no . . . .
C20 C15 C16 C8 -178.4(17) no . . . .
C20 C15 C16 C17 3(2) no . . . .
C20 C15 C16 C108 30.0(19) no . . . .
C20 C15 C16 C109 67(3) no . . . .
C16 C15 C101 C7 89.9(12) no . . . .
C16 C15 C101 C8 2.1(16) no . . . .
C16 C15 C101 C9 -125.7(11) no . . . .
C16 C15 C101 C102 -144.3(11) no . . . .
C101 C15 C16 C8 -0.7(6) no . . . .
C101 C15 C16 C17 -179.4(10) no . . . .
C101 C15 C16 C108 -152(2) no . . . .
C101 C15 C16 C109 -116(2) no . . . .
C16 C15 C108 C8 -33(4) no . . . .
C16 C15 C108 C16 0.0(15) no . . . .
C16 C15 C108 C20 155(3) no . . . .
C16 C15 C108 C109 -38(3) no . . . .
C16 C15 C108 C113 149(3) no . . . .
C108 C15 C16 C8 152(3) no . . . .
C108 C15 C16 C17 -27(3) no . . . .
C108 C15 C16 C108 0.0(19) no . . . .
C108 C15 C16 C109 37(3) no . . . .
C16 C15 C113 C18 -4.9(14) no . . . .
C16 C15 C113 C20 178.8(13) no . . . .
C16 C15 C113 C108 -13.2(8) no . . . .
C16 C15 C113 C112 -11(3) no . . . .
C113 C15 C16 C8 -179.1(13) no . . . .
C113 C15 C16 C17 2.2(14) no . . . .
C113 C15 C16 C108 29.3(16) no . . . .
C113 C15 C16 C109 66(3) no . . . .
C20 C15 C101 C7 -92.4(11) no . . . .
C20 C15 C101 C8 179.8(18) no . . . .
C20 C15 C101 C9 52.0(13) no . . . .
C20 C15 C101 C102 33.5(14) no . . . .
C101 C15 C20 C19 179.5(9) no . . . .
C101 C15 C20 C108 169.5(18) no . . . .
C101 C15 C20 C113 -179.1(12) no . . . .
C20 C15 C108 C8 172(2) no . . . .
C20 C15 C108 C16 -154.7(17) no . . . .
C20 C15 C108 C20 0.0(6) no . . . .
C20 C15 C108 C109 167(4) no . . . .
C20 C15 C108 C113 -6.1(9) no . . . .
C108 C15 C20 C19 10.0(18) no . . . .
C108 C15 C20 C108 -0.0(10) no . . . .
C108 C15 C20 C113 11.4(17) no . . . .
C20 C15 C113 C18 176(3) no . . . .
C20 C15 C113 C20 -0.0(11) no . . . .
C20 C15 C113 C108 168.0(19) no . . . .
C20 C15 C113 C112 170(3) no . . . .
C113 C15 C20 C19 -1.4(12) no . . . .
C113 C15 C20 C108 -11.4(18) no . . . .
C113 C15 C20 C113 0.0(11) no . . . .
C101 C15 C108 C8 6.2(10) no . . . .
C101 C15 C108 C16 39(4) no . . . .
C101 C15 C108 C20 -166(3) no . . . .
C101 C15 C108 C109 1(6) no . . . .
C101 C15 C108 C113 -172(3) no . . . .
C108 C15 C101 C7 72(3) no . . . .
C108 C15 C101 C8 -16(3) no . . . .
C108 C15 C101 C9 -144(3) no . . . .
C108 C15 C101 C102 -163(3) no . . . .
C101 C15 C113 C18 177.8(15) no . . . .
C101 C15 C113 C20 2(3) no . . . .
C101 C15 C113 C108 170(3) no . . . .
C101 C15 C113 C112 171.5(16) no . . . .
C113 C15 C101 C7 -93(2) no . . . .
C113 C15 C101 C8 179(3) no . . . .
C113 C15 C101 C9 51(3) no . . . .
C113 C15 C101 C102 33(3) no . . . .
C108 C15 C113 C18 8.3(17) no . . . .
C108 C15 C113 C20 -168.0(18) no . . . .
C108 C15 C113 C108 0.0(10) no . . . .
C108 C15 C113 C112 2(3) no . . . .
C113 C15 C108 C8 178.1(16) no . . . .
C113 C15 C108 C16 -149(3) no . . . .
C113 C15 C108 C20 6.1(9) no . . . .
C113 C15 C108 C109 173(5) no . . . .
C113 C15 C108 C113 0.0(6) no . . . .
C8 C16 C17 C18 0(4) no . . . .
C8 C16 C17 C108 9.0(18) no . . . .
C8 C16 C17 C109 123(4) no . . . .
C8 C16 C17 C110 125(3) no . . . .
C8 C16 C17 C111 34(5) no . . . .
C8 C16 C17 C112 1(4) no . . . .
C8 C16 C108 C8 -0.0(4) no . . . .
C8 C16 C108 C15 -18.5(15) no . . . .
C8 C16 C108 C17 -174.4(9) no . . . .
C8 C16 C108 C20 -117(5) no . . . .
C8 C16 C108 C109 133.0(17) no . . . .
C8 C16 C108 C113 -148(3) no . . . .
C8 C16 C109 C17 -142(3) no . . . .
C8 C16 C109 C108 -61(3) no . . . .
C8 C16 C109 C110 -143(2) no . . . .
C15 C16 C17 C18 2(3) no . . . .
C15 C16 C17 C108 10.4(7) no . . . .
C15 C16 C17 C109 124(3) no . . . .
C15 C16 C17 C110 126.1(19) no . . . .
C15 C16 C17 C111 36(4) no . . . .
C15 C16 C17 C112 2.0(19) no . . . .
C15 C16 C108 C8 18.5(18) no . . . .
C15 C16 C108 C15 0.0(11) no . . . .
C15 C16 C108 C17 -156(2) no . . . .
C15 C16 C108 C20 -98(5) no . . . .
C15 C16 C108 C109 151(2) no . . . .
C15 C16 C108 C113 -130(4) no . . . .
C15 C16 C109 C17 -95(3) no . . . .
C15 C16 C109 C108 -14.8(10) no . . . .
C15 C16 C109 C110 -96(4) no . . . .
C17 C16 C108 C8 174.4(11) no . . . .
C17 C16 C108 C15 155.9(19) no . . . .
C17 C16 C108 C17 0.0(8) no . . . .
C17 C16 C108 C20 57(5) no . . . .
C17 C16 C108 C109 -52.6(17) no . . . .
C17 C16 C108 C113 26(3) no . . . .
C108 C16 C17 C18 -9(3) no . . . .
C108 C16 C17 C108 0.0(8) no . . . .
C108 C16 C17 C109 114(3) no . . . .
C108 C16 C17 C110 116(3) no . . . .
C108 C16 C17 C111 25(4) no . . . .
C108 C16 C17 C112 -8.4(19) no . . . .
C17 C16 C109 C17 0.0(11) no . . . .
C17 C16 C109 C108 80(3) no . . . .
C17 C16 C109 C110 -1(2) no . . . .
C109 C16 C17 C18 -123(3) no . . . .
C109 C16 C17 C108 -114(3) no . . . .
C109 C16 C17 C109 0.0(16) no . . . .
C109 C16 C17 C110 2(3) no . . . .
C109 C16 C17 C111 -89(4) no . . . .
C109 C16 C17 C112 -122(3) no . . . .
C108 C16 C109 C17 -80(3) no . . . .
C108 C16 C109 C108 0.0(9) no . . . .
C108 C16 C109 C110 -82(4) no . . . .
C109 C16 C108 C8 -133(2) no . . . .
C109 C16 C108 C15 -151(3) no . . . .
C109 C16 C108 C17 53(2) no . . . .
C109 C16 C108 C20 110(5) no . . . .
C109 C16 C108 C109 0.0(14) no . . . .
C109 C16 C108 C113 79(3) no . . . .
C16 C17 C18 C19 -6(3) no . . . .
C16 C17 C18 C110 133(3) no . . . .
C16 C17 C18 C111 150(3) no . . . .
C16 C17 C18 C112 2(5) no . . . .
C16 C17 C18 C113 -4(2) no . . . .
C16 C17 C108 C8 -13(3) no . . . .
C16 C17 C108 C16 0.0(13) no . . . .
C16 C17 C108 C20 -161.2(18) no . . . .
C16 C17 C108 C109 40.4(15) no . . . .
C16 C17 C108 C113 -162.8(18) no . . . .
C16 C17 C109 C16 0.0(14) no . . . .
C16 C17 C109 C108 -34.0(16) no . . . .
C16 C17 C109 C110 179(3) no . . . .
C16 C17 C110 C18 -136(3) no . . . .
C16 C17 C110 C109 -0.9(14) no . . . .
C16 C17 C110 C111 -146(3) no . . . .
C16 C17 C111 C18 -56(4) no . . . .
C16 C17 C111 C110 106(4) no . . . .
C16 C17 C111 C112 -45(4) no . . . .
C16 C17 C112 C18 -178(3) no . . . .
C16 C17 C112 C19 -13(3) no . . . .
C16 C17 C112 C111 157.9(18) no . . . .
C16 C17 C112 C113 -5.4(15) no . . . .
C18 C17 C108 C8 159.6(19) no . . . .
C18 C17 C108 C16 172.5(17) no . . . .
C18 C17 C108 C20 11.3(16) no . . . .
C18 C17 C108 C109 -147.1(19) no . . . .
C18 C17 C108 C113 9.7(13) no . . . .
C108 C17 C18 C19 -10(2) no . . . .
C108 C17 C18 C110 128(3) no . . . .
C108 C17 C18 C111 145.7(17) no . . . .
C108 C17 C18 C112 -3(4) no . . . .
C108 C17 C18 C113 -7.9(11) no . . . .
C18 C17 C109 C16 84(3) no . . . .
C18 C17 C109 C108 50(3) no . . . .
C18 C17 C109 C110 -98(3) no . . . .
C109 C17 C18 C19 -47(4) no . . . .
C109 C17 C18 C110 91(3) no . . . .
C109 C17 C18 C111 109(3) no . . . .
C109 C17 C18 C112 -40(5) no . . . .
C109 C17 C18 C113 -45(3) no . . . .
C18 C17 C110 C18 0.0(10) no . . . .
C18 C17 C110 C109 135(3) no . . . .
C18 C17 C110 C111 -10.7(15) no . . . .
C110 C17 C18 C19 -138(3) no . . . .
C110 C17 C18 C110 -0.0(13) no . . . .
C110 C17 C18 C111 17(3) no . . . .
C110 C17 C18 C112 -131(4) no . . . .
C110 C17 C18 C113 -136(2) no . . . .
C18 C17 C111 C18 0.0(17) no . . . .
C18 C17 C111 C110 161(3) no . . . .
C18 C17 C111 C112 10.8(18) no . . . .
C111 C17 C18 C19 -156(4) no . . . .
C111 C17 C18 C110 -17(3) no . . . .
C111 C17 C18 C111 0.0(17) no . . . .
C111 C17 C18 C112 -148(5) no . . . .
C111 C17 C18 C113 -154(3) no . . . .
C108 C17 C109 C16 34.0(10) no . . . .
C108 C17 C109 C108 0.0(6) no . . . .
C108 C17 C109 C110 -147.5(16) no . . . .
C109 C17 C108 C8 -53(3) no . . . .
C109 C17 C108 C16 -40.4(14) no . . . .
C109 C17 C108 C20 158.4(16) no . . . .
C109 C17 C108 C109 0.0(12) no . . . .
C109 C17 C108 C113 156.8(17) no . . . .
C108 C17 C110 C18 -103(3) no . . . .
C108 C17 C110 C109 31.9(15) no . . . .
C108 C17 C110 C111 -114(2) no . . . .
C110 C17 C108 C8 -95(4) no . . . .
C110 C17 C108 C16 -82(3) no . . . .
C110 C17 C108 C20 117(3) no . . . .
C110 C17 C108 C109 -42(2) no . . . .
C110 C17 C108 C113 115(3) no . . . .
C108 C17 C111 C18 -42(2) no . . . .
C108 C17 C111 C110 120(3) no . . . .
C108 C17 C111 C112 -30.8(18) no . . . .
C111 C17 C108 C8 -178.1(17) no . . . .
C111 C17 C108 C16 -165(2) no . . . .
C111 C17 C108 C20 34(2) no . . . .
C111 C17 C108 C109 -125(3) no . . . .
C111 C17 C108 C113 32.0(17) no . . . .
C108 C17 C112 C18 177(3) no . . . .
C108 C17 C112 C19 -17(3) no . . . .
C108 C17 C112 C111 153.8(14) no . . . .
C108 C17 C112 C113 -9.5(9) no . . . .
C112 C17 C108 C8 159(2) no . . . .
C112 C17 C108 C16 171.9(14) no . . . .
C112 C17 C108 C20 10.7(11) no . . . .
C112 C17 C108 C109 -147.8(15) no . . . .
C112 C17 C108 C113 9.0(8) no . . . .
C109 C17 C110 C18 -135(3) no . . . .
C109 C17 C110 C109 0.0(9) no . . . .
C109 C17 C110 C111 -145.4(17) no . . . .
C110 C17 C109 C16 -179(3) no . . . .
C110 C17 C109 C108 147(2) no . . . .
C110 C17 C109 C110 0.0(13) no . . . .
C109 C17 C111 C18 -108(3) no . . . .
C109 C17 C111 C110 53(3) no . . . .
C109 C17 C111 C112 -97(3) no . . . .
C111 C17 C109 C16 134(3) no . . . .
C111 C17 C109 C108 100(3) no . . . .
C111 C17 C109 C110 -48(2) no . . . .
C109 C17 C112 C18 148(3) no . . . .
C109 C17 C112 C19 -47(4) no . . . .
C109 C17 C112 C111 124(3) no . . . .
C109 C17 C112 C113 -39(2) no . . . .
C112 C17 C109 C16 72(3) no . . . .
C112 C17 C109 C108 38.3(19) no . . . .
C112 C17 C109 C110 -109(3) no . . . .
C110 C17 C111 C18 -161(3) no . . . .
C110 C17 C111 C110 -0.0(14) no . . . .
C110 C17 C111 C112 -150(3) no . . . .
C111 C17 C110 C18 10.7(15) no . . . .
C111 C17 C110 C109 145.4(18) no . . . .
C111 C17 C110 C111 -0.0(11) no . . . .
C110 C17 C112 C18 52(3) no . . . .
C110 C17 C112 C19 -142(3) no . . . .
C110 C17 C112 C111 28.6(19) no . . . .
C110 C17 C112 C113 -135(3) no . . . .
C112 C17 C110 C18 -12.3(8) no . . . .
C112 C17 C110 C109 122(2) no . . . .
C112 C17 C110 C111 -23.0(15) no . . . .
C111 C17 C112 C18 24(2) no . . . .
C111 C17 C112 C19 -171(3) no . . . .
C111 C17 C112 C111 -0.0(13) no . . . .
C111 C17 C112 C113 -163.3(19) no . . . .
C112 C17 C111 C18 -10.8(10) no . . . .
C112 C17 C111 C110 150.5(19) no . . . .
C112 C17 C111 C112 0.0(8) no . . . .
C17 C18 C19 C20 6(3) no . . . .
C17 C18 C19 C113 4(3) no . . . .
C17 C18 C110 C17 -0.0(18) no . . . .
C17 C18 C110 C109 -35(2) no . . . .
C17 C18 C110 C111 156(4) no . . . .
C17 C18 C111 C17 0.0(9) no . . . .
C17 C18 C111 C110 -12.2(18) no . . . .
C17 C18 C112 C17 0.0(11) no . . . .
C17 C18 C112 C19 -33(11) no . . . .
C17 C18 C112 C111 120(8) no . . . .
C17 C18 C112 C113 -8(5) no . . . .
C17 C18 C113 C15 5.5(18) no . . . .
C17 C18 C113 C19 -176.6(18) no . . . .
C17 C18 C113 C108 9.5(14) no . . . .
C19 C18 C110 C17 61(3) no . . . .
C19 C18 C110 C109 25(3) no . . . .
C19 C18 C110 C111 -143(4) no . . . .
C110 C18 C19 C20 -24(4) no . . . .
C110 C18 C19 C113 -26(3) no . . . .
C19 C18 C111 C17 122(6) no . . . .
C19 C18 C111 C110 110(6) no . . . .
C111 C18 C19 C20 -106(6) no . . . .
C111 C18 C19 C113 -108(6) no . . . .
C19 C18 C113 C15 -178(3) no . . . .
C19 C18 C113 C19 0.0(14) no . . . .
C19 C18 C113 C108 -174(2) no . . . .
C113 C18 C19 C20 1.9(10) no . . . .
C113 C18 C19 C113 -0.0(9) no . . . .
C110 C18 C111 C17 12.2(19) no . . . .
C110 C18 C111 C110 -0.0(10) no . . . .
C111 C18 C110 C17 -156(4) no . . . .
C111 C18 C110 C109 169(4) no . . . .
C111 C18 C110 C111 0(3) no . . . .
C110 C18 C112 C17 -39(3) no . . . .
C110 C18 C112 C19 -72(11) no . . . .
C110 C18 C112 C111 81(7) no . . . .
C110 C18 C112 C113 -47(6) no . . . .
C112 C18 C110 C17 78(5) no . . . .
C112 C18 C110 C109 43(5) no . . . .
C112 C18 C110 C111 -126(6) no . . . .
C110 C18 C113 C15 -16(2) no . . . .
C110 C18 C113 C19 162.3(18) no . . . .
C110 C18 C113 C108 -11.5(15) no . . . .
C113 C18 C110 C17 45.8(15) no . . . .
C113 C18 C110 C109 10.4(16) no . . . .
C113 C18 C110 C111 -158(3) no . . . .
C111 C18 C112 C17 -120(8) no . . . .
C111 C18 C112 C19 -152(7) no . . . .
C111 C18 C112 C111 0(3) no . . . .
C111 C18 C112 C113 -127(6) no . . . .
C112 C18 C111 C17 135(6) no . . . .
C112 C18 C111 C110 123(6) no . . . .
C111 C18 C113 C15 -43(6) no . . . .
C111 C18 C113 C19 135(6) no . . . .
C111 C18 C113 C108 -39(5) no . . . .
C113 C18 C111 C17 51(5) no . . . .
C113 C18 C111 C110 39(6) no . . . .
C112 C18 C113 C15 -169(3) no . . . .
C112 C18 C113 C19 9(3) no . . . .
C112 C18 C113 C108 -165(4) no . . . .
C113 C18 C112 C17 8(5) no . . . .
C113 C18 C112 C19 -25(7) no . . . .
C113 C18 C112 C111 127(5) no . . . .
C113 C18 C112 C113 0.0(7) no . . . .
C18 C19 C20 C15 -2(3) no . . . .
C18 C19 C20 C108 3(2) no . . . .
C18 C19 C20 C113 -3.8(18) no . . . .
C18 C19 C113 C18 0.0(9) no . . . .
C18 C19 C113 C20 176.7(18) no . . . .
C18 C19 C113 C108 11(4) no . . . .
C18 C19 C113 C112 5.6(13) no . . . .
C20 C19 C112 C17 16(5) no . . . .
C20 C19 C112 C18 38(10) no . . . .
C20 C19 C112 C113 5.6(15) no . . . .
C112 C19 C20 C15 -9(4) no . . . .
C112 C19 C20 C108 -5(4) no . . . .
C112 C19 C20 C113 -11(3) no . . . .
C20 C19 C113 C18 -176.7(19) no . . . .
C20 C19 C113 C20 0.0(11) no . . . .
C20 C19 C113 C108 -165(5) no . . . .
C20 C19 C113 C112 -171(3) no . . . .
C113 C19 C20 C15 2(3) no . . . .
C113 C19 C20 C108 6(2) no . . . .
C113 C19 C20 C113 0.0(17) no . . . .
C112 C19 C113 C18 -5.6(18) no . . . .
C112 C19 C113 C20 171(3) no . . . .
C112 C19 C113 C108 6(5) no . . . .
C112 C19 C113 C112 0.0(15) no . . . .
C113 C19 C112 C17 11(4) no . . . .
C113 C19 C112 C18 33(9) no . . . .
C113 C19 C112 C113 0.0(9) no . . . .
C15 C20 C108 C8 -4.6(12) no . . . .
C15 C20 C108 C15 -0.0(11) no . . . .
C15 C20 C108 C16 114(4) no . . . .
C15 C20 C108 C17 162.5(18) no . . . .
C15 C20 C108 C109 -170(3) no . . . .
C15 C20 C108 C113 166(2) no . . . .
C15 C20 C113 C15 -0.0(5) no . . . .
C15 C20 C113 C19 -178.0(16) no . . . .
C15 C20 C113 C108 -6.0(9) no . . . .
C15 C20 C113 C112 -169(3) no . . . .
C19 C20 C108 C8 -175.7(11) no . . . .
C19 C20 C108 C15 -171.1(15) no . . . .
C19 C20 C108 C16 -57(4) no . . . .
C19 C20 C108 C17 -8.7(13) no . . . .
C19 C20 C108 C109 19(3) no . . . .
C19 C20 C108 C113 -5.0(9) no . . . .
C19 C20 C113 C15 178(2) no . . . .
C19 C20 C113 C19 0.0(12) no . . . .
C19 C20 C113 C108 172(3) no . . . .
C19 C20 C113 C112 9(2) no . . . .
C108 C20 C113 C15 6.0(10) no . . . .
C108 C20 C113 C19 -172(3) no . . . .
C108 C20 C113 C108 0.0(5) no . . . .
C108 C20 C113 C112 -163(4) no . . . .
C113 C20 C108 C8 -170.7(18) no . . . .
C113 C20 C108 C15 -166(3) no . . . .
C113 C20 C108 C16 -52(4) no . . . .
C113 C20 C108 C17 -3.7(18) no . . . .
C113 C20 C108 C109 24(3) no . . . .
C113 C20 C108 C113 0.0(14) no . . . .
Ru1 C23 C24 Ru1 0.0 no . . . .
Ru1 C23 C24 C25 104.8(4) no . . . .
Ru1 C23 C30 C29 -6.1(11) no . . . .
C24 C23 C30 C29 75.5(11) no . . . .
C30 C23 C24 Ru1 -103.1(7) no . . . .
C30 C23 C24 C25 1.6(9) no . . . .
Ru1 C24 C25 C26 13.8(7) no . . . .
C23 C24 C25 C26 -67.7(8) no . . . .
C24 C25 C26 C27 -5.0(9) no . . . .
C25 C26 C27 Ru1 -6.4(7) no . . . .
C25 C26 C27 C28 76.0(7) no . . . .
Ru1 C27 C28 Ru1 0.0 no . . . .
Ru1 C27 C28 C29 104.8(4) no . . . .
C26 C27 C28 Ru1 -107.6(4) no . . . .
C26 C27 C28 C29 -2.8(7) no . . . .
Ru1 C28 C29 C30 17.9(7) no . . . .
C27 C28 C29 C30 -64.4(7) no . . . .
C28 C29 C30 C23 -7.8(12) no . . . .
C7 C101 C102 C9 158.5(13) no . . . .
C7 C101 C102 C10 -174.7(8) no . . . .
C7 C101 C102 C14 46.3(18) no . . . .
C7 C101 C102 C103 -171.6(8) no . . . .
C7 C101 C102 C107 0.2(15) no . . . .
C8 C101 C102 C9 14(3) no . . . .
C8 C101 C102 C10 41(3) no . . . .
C8 C101 C102 C14 -98(3) no . . . .
C8 C101 C102 C103 44(3) no . . . .
C8 C101 C102 C107 -144(3) no . . . .
C9 C101 C102 C9 0.0(11) no . . . .
C9 C101 C102 C10 26.9(14) no . . . .
C9 C101 C102 C14 -112(3) no . . . .
C9 C101 C102 C103 29.9(14) no . . . .
C9 C101 C102 C107 -158(2) no . . . .
C15 C101 C102 C9 40.2(13) no . . . .
C15 C101 C102 C10 67.1(10) no . . . .
C15 C101 C102 C14 -72.0(18) no . . . .
C15 C101 C102 C103 70.2(13) no . . . .
C15 C101 C102 C107 -118.0(11) no . . . .
C9 C102 C103 C9 0.0(9) no . . . .
C9 C102 C103 C10 16.9(17) no . . . .
C9 C102 C103 C11 -143(4) no . . . .
C9 C102 C103 C12 -150.9(14) no . . . .
C9 C102 C103 C14 -121(2) no . . . .
C9 C102 C103 C104 -150.3(17) no . . . .
C9 C102 C107 C13 106(5) no . . . .
C9 C102 C107 C14 48(5) no . . . .
C9 C102 C107 C106 125(5) no . . . .
C10 C102 C103 C9 -16.9(17) no . . . .
C10 C102 C103 C10 -0.0(9) no . . . .
C10 C102 C103 C11 -160(5) no . . . .
C10 C102 C103 C12 -168(2) no . . . .
C10 C102 C103 C14 -138.4(18) no . . . .
C10 C102 C103 C104 -167(3) no . . . .
C10 C102 C107 C13 -29(3) no . . . .
C10 C102 C107 C14 -86(3) no . . . .
C10 C102 C107 C106 -10(4) no . . . .
C13 C102 C103 C9 141.4(13) no . . . .
C13 C102 C103 C10 158.4(16) no . . . .
C13 C102 C103 C11 -2(4) no . . . .
C13 C102 C103 C12 -9.5(8) no . . . .
C13 C102 C103 C14 20.0(13) no . . . .
C13 C102 C103 C104 -8.9(12) no . . . .
C13 C102 C107 C13 0.0(7) no . . . .
C13 C102 C107 C14 -57.5(12) no . . . .
C13 C102 C107 C106 19.1(11) no . . . .
C14 C102 C103 C9 121(2) no . . . .
C14 C102 C103 C10 138(2) no . . . .
C14 C102 C103 C11 -22(5) no . . . .
C14 C102 C103 C12 -30(2) no . . . .
C14 C102 C103 C14 0.0(12) no . . . .
C14 C102 C103 C104 -29(3) no . . . .
C14 C102 C107 C13 57.5(19) no . . . .
C14 C102 C107 C14 0.0(16) no . . . .
C14 C102 C107 C106 77(3) no . . . .
C101 C102 C103 C9 -23.9(8) no . . . .
C101 C102 C103 C10 -7.0(19) no . . . .
C101 C102 C103 C11 -167(4) no . . . .
C101 C102 C103 C12 -174.9(9) no . . . .
C101 C102 C103 C14 -145(2) no . . . .
C101 C102 C103 C104 -174.3(11) no . . . .
C101 C102 C107 C13 161.4(11) no . . . .
C101 C102 C107 C14 103.9(16) no . . . .
C101 C102 C107 C106 -179.5(11) no . . . .
C103 C102 C107 C13 -27.5(15) no . . . .
C103 C102 C107 C14 -85.1(17) no . . . .
C103 C102 C107 C106 -8(3) no . . . .
C107 C102 C103 C9 165(2) no . . . .
C107 C102 C103 C10 -178.5(15) no . . . .
C107 C102 C103 C11 21(5) no . . . .
C107 C102 C103 C12 13.7(17) no . . . .
C107 C102 C103 C14 43.2(13) no . . . .
C107 C102 C103 C104 14(2) no . . . .
C9 C103 C104 C11 150(3) no . . . .
C9 C103 C104 C12 -28(4) no . . . .
C9 C103 C104 C13 -16(3) no . . . .
C9 C103 C104 C105 -41(3) no . . . .
C10 C103 C104 C11 13(3) no . . . .
C10 C103 C104 C12 -165(3) no . . . .
C10 C103 C104 C13 -153(3) no . . . .
C10 C103 C104 C105 -178(3) no . . . .
C11 C103 C104 C11 -0.0(12) no . . . .
C11 C103 C104 C12 -178(3) no . . . .
C11 C103 C104 C13 -165.9(18) no . . . .
C11 C103 C104 C105 169(2) no . . . .
C14 C103 C104 C11 164.5(13) no . . . .
C14 C103 C104 C12 -13(3) no . . . .
C14 C103 C104 C13 -1.4(9) no . . . .
C14 C103 C104 C105 -26.4(14) no . . . .
C102 C103 C104 C11 175.7(17) no . . . .
C102 C103 C104 C12 -2(3) no . . . .
C102 C103 C104 C13 9.8(14) no . . . .
C102 C103 C104 C105 -15(2) no . . . .
C13 C104 C105 C13 0.0(9) no . . . .
C13 C104 C105 C106 -26.3(16) no . . . .
C103 C104 C105 C13 40.3(17) no . . . .
C103 C104 C105 C106 14(3) no . . . .
C12 C105 C106 C13 18(3) no . . . .
C12 C105 C106 C107 -21(4) no . . . .
C13 C105 C106 C13 -0.0(10) no . . . .
C13 C105 C106 C107 -38.8(17) no . . . .
C104 C105 C106 C13 30.7(19) no . . . .
C104 C105 C106 C107 -8(3) no . . . .
C13 C106 C107 C13 0.0(10) no . . . .
C13 C106 C107 C14 8.5(19) no . . . .
C13 C106 C107 C102 -26.9(19) no . . . .
C105 C106 C107 C13 31.8(14) no . . . .
C105 C106 C107 C14 40(3) no . . . .
C105 C106 C107 C102 5(3) no . . . .
C8 C108 C109 C16 56.9(17) no . . . .
C8 C108 C109 C17 156.5(12) no . . . .
C8 C108 C109 C110 -178.8(12) no . . . .
C8 C108 C113 C15 -1.2(7) no . . . .
C8 C108 C113 C18 -174.3(9) no . . . .
C8 C108 C113 C19 177(3) no . . . .
C8 C108 C113 C20 10.3(18) no . . . .
C8 C108 C113 C112 -179.9(10) no . . . .
C15 C108 C109 C16 60(5) no . . . .
C15 C108 C109 C17 160(5) no . . . .
C15 C108 C109 C110 -176(4) no . . . .
C15 C108 C113 C15 0.0(9) no . . . .
C15 C108 C113 C18 -173.1(14) no . . . .
C15 C108 C113 C19 178(3) no . . . .
C15 C108 C113 C20 11.5(17) no . . . .
C15 C108 C113 C112 -178.7(15) no . . . .
C16 C108 C109 C16 -0(2) no . . . .
C16 C108 C109 C17 100(3) no . . . .
C16 C108 C109 C110 124(3) no . . . .
C16 C108 C113 C15 144(3) no . . . .
C16 C108 C113 C18 -29(3) no . . . .
C16 C108 C113 C19 -38(5) no . . . .
C16 C108 C113 C20 155(3) no . . . .
C16 C108 C113 C112 -35(3) no . . . .
C17 C108 C109 C16 -100(2) no . . . .
C17 C108 C109 C17 0.0(11) no . . . .
C17 C108 C109 C110 24.6(13) no . . . .
C17 C108 C113 C15 165.1(15) no . . . .
C17 C108 C113 C18 -7.9(10) no . . . .
C17 C108 C113 C19 -17(3) no . . . .
C17 C108 C113 C20 176.6(15) no . . . .
C17 C108 C113 C112 -13.6(13) no . . . .
C20 C108 C109 C16 -140(3) no . . . .
C20 C108 C109 C17 -41(3) no . . . .
C20 C108 C109 C110 -16(4) no . . . .
C20 C108 C113 C15 -11.5(18) no . . . .
C20 C108 C113 C18 175(2) no . . . .
C20 C108 C113 C19 166(4) no . . . .
C20 C108 C113 C20 0.0(11) no . . . .
C20 C108 C113 C112 170(3) no . . . .
C109 C108 C113 C15 -177(2) no . . . .
C109 C108 C113 C18 10.3(17) no . . . .
C109 C108 C113 C19 1(4) no . . . .
C109 C108 C113 C20 -165.2(16) no . . . .
C109 C108 C113 C112 5(2) no . . . .
C113 C108 C109 C16 -127.9(19) no . . . .
C113 C108 C109 C17 -28.3(18) no . . . .
C113 C108 C109 C110 -4(3) no . . . .
C16 C109 C110 C17 2(4) no . . . .
C16 C109 C110 C18 36(4) no . . . .
C16 C109 C110 C111 41(4) no . . . .
C17 C109 C110 C17 0.0(16) no . . . .
C17 C109 C110 C18 33.5(18) no . . . .
C17 C109 C110 C111 39(2) no . . . .
C108 C109 C110 C17 -38.8(18) no . . . .
C108 C109 C110 C18 -5(2) no . . . .
C108 C109 C110 C111 0(3) no . . . .
C17 C110 C111 C17 -0.0(14) no . . . .
C17 C110 C111 C18 19(3) no . . . .
C17 C110 C111 C112 33(3) no . . . .
C18 C110 C111 C17 -19(3) no . . . .
C18 C110 C111 C18 0.0(18) no . . . .
C18 C110 C111 C112 14.3(19) no . . . .
C109 C110 C111 C17 -32.1(14) no . . . .
C109 C110 C111 C18 -13(4) no . . . .
C109 C110 C111 C112 1(3) no . . . .
C17 C111 C112 C17 -0.0(9) no . . . .
C17 C111 C112 C18 -42(3) no . . . .
C17 C111 C112 C113 20(3) no . . . .
C110 C111 C112 C17 -20.1(14) no . . . .
C110 C111 C112 C18 -63(4) no . . . .
C110 C111 C112 C113 0(4) no . . . .
C17 C112 C113 C15 11(3) no . . . .
C17 C112 C113 C19 -171(2) no . . . .
C17 C112 C113 C20 174(3) no . . . .
C17 C112 C113 C108 12.3(13) no . . . .
C18 C112 C113 C15 16(5) no . . . .
C18 C112 C113 C19 -167(4) no . . . .
C18 C112 C113 C20 179(4) no . . . .
C18 C112 C113 C108 17(4) no . . . .
C19 C112 C113 C15 -178(3) no . . . .
C19 C112 C113 C19 0(2) no . . . .
C19 C112 C113 C20 -15(4) no . . . .
C19 C112 C113 C108 -177(3) no . . . .
C111 C112 C113 C15 -4(4) no . . . .
C111 C112 C113 C19 174(4) no . . . .
C111 C112 C113 C20 159(3) no . . . .
C111 C112 C113 C108 -3(3) 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
O1 C3 3.026(7) no . .
O1 C6 3.021(8) no . .
O1 C9 3.227(13) no . .
O1 C14 3.156(15) no . .
O1 C15 2.696(13) no . .
O1 C20 3.085(14) no . .
O1 C23 3.518(7) no . .
O1 C24 3.223(6) no . .
O1 C102 3.208(14) no . .
O1 C107 3.256(17) no . .
O1 C108 3.054(14) no . .
O1 C113 3.453(15) no . .
N1 C29 3.156(8) no . .
N1 C30 3.238(12) no . .
C4 C9 3.406(12) no . .
C4 C15 3.548(12) no . .
C4 C102 3.309(13) no . .
C4 C107 3.499(16) no . .
C5 C6 2.991(9) no . .
C5 C27 3.232(9) no . .
C6 C7 3.149(9) no . .
C6 C24 3.292(7) no . .
C7 C14 2.804(15) no . .
C7 C20 3.202(14) no . .
C7 C23 3.435(8) no . .
C7 C24 3.403(7) no . .
C7 C107 2.909(17) no . .
C7 C109 3.519(19) no . .
C7 C113 3.543(16) no . .
C8 C19 3.51(3) no . .
C8 C107 3.16(2) no . .
C9 C105 3.32(3) no . .
C9 C106 3.28(3) no . .
C10 C16 3.586(19) no . .
C10 C20 3.291(19) no . .
C10 C105 3.32(3) no . .
C10 C108 3.343(17) no . .
C11 C106 3.39(3) no . .
C11 C107 3.36(3) no . .
C14 C20 2.93(2) no . .
C15 C110 3.13(2) no . .
C15 C111 3.41(3) no . .
C16 C19 2.89(3) no . .
C19 C109 3.06(3) no . .
C20 C102 2.938(19) no . .
C20 C103 3.46(3) no . .
C20 C110 3.57(3) no . .
C20 C111 3.27(3) no . .
C21 C28 3.556(8) no . .
C23 C26 3.251(9) no . .
C24 C29 3.285(9) no . .
C25 C28 3.284(10) no . .
C25 C29 3.453(12) no . .
C25 C30 3.028(15) no . .
C26 C29 3.080(10) no . .
C26 C30 3.298(14) no . .
C27 C30 3.182(13) no . .
C101 C109 3.17(2) no . .
C102 C108 3.297(18) no . .
C102 C113 3.53(2) no . .
C103 C106 3.01(3) no . .
O1 C22 3.282(9) no . 4_565
C1 C6 3.562(8) no . 4_574
C6 C1 3.562(8) no . 4_575
C10 C10 3.154(18) no . 3_776
C10 C11 3.11(2) no . 3_776
C11 C10 3.11(2) no . 3_776
C19 C22 3.55(3) no . 4_565
C20 C105 3.56(3) no . 2_746
C22 O1 3.282(9) no . 4_564
C22 C19 3.55(3) no . 4_564
C22 C112 3.60(3) no . 4_564
C22 C113 3.584(18) no . 4_564
C103 C111 3.55(3) no . 1_565
C105 C20 3.56(3) no . 2_756
C106 C111 3.34(4) no . 4_565
C107 C110 3.35(3) no . 4_565
C110 C107 3.35(3) no . 4_564
C111 C103 3.55(3) no . 1_545
C111 C106 3.34(4) no . 4_564
C112 C22 3.60(3) no . 4_565
C113 C22 3.584(18) no . 4_565
Ru1 H5B 3.4342 no . .
Ru1 H6A 3.4332 no . .
Ru1 H29B 3.5730 no . .
O1 H4 3.1613 no . .
O1 H6A 3.5307 no . .
O1 H6C 2.2888 no . .
O1 H23 3.0652 no . .
O1 H24 2.4405 no . .
N1 H1A 3.1137 no . .
N1 H1B 3.4552 no . .
N1 H4 3.2072 no . .
N1 H22A 3.0637 no . .
N1 H22B 3.0605 no . .
N1 H22C 3.0828 no . .
N1 H23 3.0209 no . .
N1 H28 2.8980 no . .
N1 H29B 3.0373 no . .
N1 H30A 3.2834 no . .
C1 H4 2.5595 no . .
C1 H5A 3.1799 no . .
C1 H5B 3.1621 no . .
C1 H5C 2.5723 no . .
C1 H27 2.9493 no . .
C1 H28 3.2194 no . .
C2 H4 2.6067 no . .
C2 H6A 2.7896 no . .
C2 H6B 2.8114 no . .
C2 H6C 3.3461 no . .
C2 H27 2.8495 no . .
C3 H1A 2.7767 no . .
C3 H1B 3.3096 no . .
C3 H5A 2.8057 no . .
C3 H5B 2.8041 no . .
C3 H5C 3.3498 no . .
C3 H24 2.9382 no . .
C4 H1A 2.6700 no . .
C4 H6A 3.2541 no . .
C4 H6B 3.1797 no . .
C4 H6C 2.6537 no . .
C4 H23 3.4049 no . .
C4 H24 3.0830 no . .
C5 H1A 3.2661 no . .
C5 H1B 2.6680 no . .
C5 H6A 2.8976 no . .
C5 H6B 2.9513 no . .
C5 H26A 3.5514 no . .
C5 H27 2.7335 no . .
C6 H4 3.3015 no . .
C6 H5A 2.9225 no . .
C6 H5B 2.9292 no . .
C6 H24 2.8642 no . .
C6 H25B 3.3836 no . .
C7 H6C 2.7139 no . .
C7 H23 3.0316 no . .
C7 H24 2.9186 no . .
C8 H4 2.7664 no . .
C8 H23 3.4325 no . .
C9 H4 3.2043 no . .
C14 H4 3.5583 no . .
C15 H23 3.5035 no . .
C16 H23 3.0662 no . .
C21 H28 3.4911 no . .
C21 H29B 3.2436 no . .
C21 H30A 3.5675 no . .
C23 H25A 2.7779 no . .
C23 H25B 3.3178 no . .
C23 H29A 3.2442 no . .
C23 H29B 3.1525 no . .
C24 H6A 2.9563 no . .
C24 H6C 3.3286 no . .
C24 H26A 3.1987 no . .
C24 H26B 3.1394 no . .
C24 H30A 3.2936 no . .
C24 H30B 2.6865 no . .
C25 H6A 3.0906 no . .
C25 H23 3.3583 no . .
C25 H27 3.3025 no . .
C25 H29A 3.5219 no . .
C25 H30B 2.7885 no . .
C26 H5B 3.1357 no . .
C26 H24 3.3283 no . .
C26 H28 3.3593 no . .
C26 H29A 2.9746 no . .
C26 H30B 3.1852 no . .
C27 H1B 3.0783 no . .
C27 H5B 2.8336 no . .
C27 H5C 3.3504 no . .
C27 H25A 3.1882 no . .
C27 H25B 3.1276 no . .
C27 H29A 2.8035 no . .
C27 H29B 3.3447 no . .
C27 H30B 3.5056 no . .
C28 H1B 3.2092 no . .
C28 H26A 3.3353 no . .
C28 H26B 2.7326 no . .
C28 H30A 3.1551 no . .
C28 H30B 3.0610 no . .
C29 H23 3.3408 no . .
C29 H25A 3.4971 no . .
C29 H26B 2.8744 no . .
C29 H27 3.3646 no . .
C30 H24 3.3513 no . .
C30 H25A 2.9086 no . .
C30 H26B 3.2281 no . .
C30 H28 3.2859 no . .
C101 H4 2.3948 no . .
C102 H4 3.0639 no . .
C107 H4 3.3508 no . .
C108 H23 3.1966 no . .
C109 H23 2.6823 no . .
C110 H23 3.4208 no . .
H1A H4 2.1462 no . .
H1A H5C 3.3018 no . .
H1B H4 3.5314 no . .
H1B H5A 3.3945 no . .
H1B H5B 3.2590 no . .
H1B H5C 2.3276 no . .
H1B H27 2.6419 no . .
H1B H28 2.8770 no . .
H4 H6C 3.4268 no . .
H5A H6A 2.9643 no . .
H5A H6B 2.5631 no . .
H5B H6A 2.5171 no . .
H5B H6B 3.0391 no . .
H5B H25B 3.4852 no . .
H5B H26A 2.6753 no . .
H5B H27 2.4190 no . .
H5C H27 2.6099 no . .
H6A H24 2.6446 no . .
H6A H25B 2.5442 no . .
H6A H26A 3.4576 no . .
H6C H24 2.6402 no . .
H23 H24 2.1953 no . .
H23 H25A 3.5014 no . .
H23 H30A 2.2920 no . .
H23 H30B 2.6770 no . .
H24 H25A 2.5970 no . .
H24 H25B 2.2501 no . .
H24 H30B 3.4613 no . .
H25A H26A 2.5974 no . .
H25A H26B 2.0851 no . .
H25A H29A 3.3949 no . .
H25A H30B 2.3602 no . .
H25B H26A 2.0847 no . .
H25B H26B 2.6499 no . .
H26A H27 2.2594 no . .
H26B H27 2.6428 no . .
H26B H28 3.4698 no . .
H26B H29A 2.4613 no . .
H26B H30B 2.9313 no . .
H27 H28 2.2101 no . .
H27 H29A 3.5251 no . .
H28 H29A 2.5707 no . .
H28 H29B 2.2572 no . .
H29A H30A 2.5428 no . .
H29A H30B 2.0398 no . .
H29B H30A 2.0413 no . .
H29B H30B 2.6266 no . .
O1 H22A 3.4087 no . 4_565
O1 H22B 2.4357 no . 4_565
N1 H6B 2.8205 no . 4_574
C1 H6B 2.9090 no . 4_574
C1 H6C 3.5408 no . 4_574
C1 H22A 3.3880 no . 4_575
C1 H30B 3.3726 no . 1_565
C2 H22A 3.0672 no . 4_575
C3 H22A 3.1853 no . 4_575
C3 H22C 3.5881 no . 4_575
C4 H22A 3.4624 no . 4_575
C4 H22C 3.4375 no . 4_575
C5 H25A 3.3705 no . 1_565
C5 H28 3.1547 no . 4_575
C5 H29A 3.0900 no . 2_655
C6 H1A 3.4433 no . 4_575
C6 H1B 3.0648 no . 4_575
C6 H28 3.5702 no . 4_575
C6 H30A 3.0660 no . 4_565
C7 H22B 3.4444 no . 4_565
C15 H22B 3.2989 no . 4_565
C18 H22C 3.4266 no . 4_565
C19 H22B 3.1021 no . 4_565
C19 H22C 3.1439 no . 4_565
C20 H22B 2.8791 no . 4_565
C21 H5A 3.5567 no . 4_574
C21 H6B 2.8684 no . 4_574
C22 H4 3.3531 no . 4_574
C22 H6B 3.5428 no . 4_574
C24 H29B 3.3536 no . 4_565
C25 H5B 3.3870 no . 3_676
C25 H26A 3.4848 no . 3_676
C25 H29B 3.0755 no . 4_565
C26 H5B 3.5794 no . 3_676
C26 H6A 3.5557 no . 3_676
C26 H26A 3.5724 no . 3_676
C26 H27 3.3870 no . 2_645
C26 H29A 3.5252 no . 2_655
C26 H30B 3.5145 no . 2_655
C27 H26B 3.2992 no . 2_655
C27 H29A 3.1876 no . 2_655
C27 H30B 3.4586 no . 2_655
C28 H5A 3.1236 no . 4_574
C28 H5C 3.5591 no . 2_645
C28 H6B 3.5170 no . 4_574
C28 H26B 3.5565 no . 2_655
C29 H5A 3.3860 no . 4_574
C29 H5B 3.5711 no . 2_645
C29 H5C 3.4080 no . 2_645
C29 H25B 3.0489 no . 4_564
C29 H27 3.2294 no . 2_645
C30 H1B 3.2993 no . 1_545
C30 H6A 3.4798 no . 4_564
C30 H6C 3.4865 no . 4_564
C30 H27 3.5622 no . 2_645
C102 H22C 3.5387 no . 4_575
C106 H22C 3.2330 no . 4_575
C107 H22C 2.8361 no . 4_575
C108 H22B 3.2866 no . 4_565
C110 H1A 3.3820 no . 1_545
C111 H4 3.4714 no . 1_545
C111 H22C 3.5136 no . 4_565
C112 H22B 3.3084 no . 4_565
C112 H22C 3.1350 no . 4_565
C113 H22B 2.9524 no . 4_565
C113 H22C 3.4462 no . 4_565
H1A C6 3.4433 no . 4_574
H1A C110 3.3820 no . 1_565
H1A H6B 2.9030 no . 4_574
H1A H6C 3.1753 no . 4_574
H1A H22A 2.9444 no . 4_575
H1A H23 3.4409 no . 1_565
H1A H30A 3.3624 no . 1_565
H1A H30B 3.4962 no . 1_565
H1B C6 3.0648 no . 4_574
H1B C30 3.2993 no . 1_565
H1B H6A 3.0015 no . 4_574
H1B H6B 2.5426 no . 4_574
H1B H6C 3.1647 no . 4_574
H1B H26B 2.8532 no . 2_655
H1B H30A 3.0560 no . 1_565
H1B H30B 2.6724 no . 1_565
H4 C22 3.3531 no . 4_575
H4 C111 3.4714 no . 1_565
H4 H22A 2.9203 no . 4_575
H4 H22C 2.9016 no . 4_575
H5A C21 3.5567 no . 4_575
H5A C28 3.1236 no . 4_575
H5A C29 3.3860 no . 4_575
H5A H22A 3.2462 no . 4_575
H5A H25A 3.1762 no . 1_565
H5A H28 2.2948 no . 4_575
H5A H29B 2.7744 no . 4_575
H5B C25 3.3870 no . 3_676
H5B C26 3.5794 no . 3_676
H5B C29 3.5711 no . 2_655
H5B H25A 3.2602 no . 3_676
H5B H25B 2.8401 no . 3_676
H5B H26A 3.1066 no . 3_676
H5B H28 3.2283 no . 4_575
H5B H29A 2.6890 no . 2_655
H5C C28 3.5591 no . 2_655
H5C C29 3.4080 no . 2_655
H5C H25A 2.6888 no . 1_565
H5C H26B 3.1085 no . 2_655
H5C H28 3.5458 no . 2_655
H5C H29A 2.6079 no . 2_655
H5C H30B 2.9794 no . 1_565
H6A C26 3.5557 no . 3_676
H6A C30 3.4798 no . 4_565
H6A H1B 3.0015 no . 4_575
H6A H26A 2.8244 no . 3_676
H6A H26B 3.3840 no . 3_676
H6A H28 3.5347 no . 4_575
H6A H29B 3.5505 no . 4_565
H6A H30A 2.7777 no . 4_565
H6A H30B 3.3875 no . 4_565
H6B N1 2.8205 no . 4_575
H6B C1 2.9090 no . 4_575
H6B C21 2.8684 no . 4_575
H6B C22 3.5428 no . 4_575
H6B C28 3.5170 no . 4_575
H6B H1A 2.9030 no . 4_575
H6B H1B 2.5426 no . 4_575
H6B H22A 3.4113 no . 4_575
H6B H28 2.7917 no . 4_575
H6B H30A 3.4908 no . 4_565
H6C C1 3.5408 no . 4_575
H6C C30 3.4865 no . 4_565
H6C H1A 3.1753 no . 4_575
H6C H1B 3.1647 no . 4_575
H6C H30A 2.5384 no . 4_565
H22A O1 3.4087 no . 4_564
H22A C1 3.3880 no . 4_574
H22A C2 3.0672 no . 4_574
H22A C3 3.1853 no . 4_574
H22A C4 3.4624 no . 4_574
H22A H1A 2.9444 no . 4_574
H22A H4 2.9203 no . 4_574
H22A H5A 3.2462 no . 4_574
H22A H6B 3.4113 no . 4_574
H22A H23 3.1112 no . 4_564
H22A H24 3.2131 no . 4_564
H22B O1 2.4357 no . 4_564
H22B C7 3.4444 no . 4_564
H22B C15 3.2989 no . 4_564
H22B C19 3.1021 no . 4_564
H22B C20 2.8791 no . 4_564
H22B C108 3.2866 no . 4_564
H22B C112 3.3084 no . 4_564
H22B C113 2.9524 no . 4_564
H22B H23 3.5662 no . 4_564
H22B H24 3.3861 no . 4_564
H22C C3 3.5881 no . 4_574
H22C C4 3.4375 no . 4_574
H22C C18 3.4266 no . 4_564
H22C C19 3.1439 no . 4_564
H22C C102 3.5387 no . 4_574
H22C C106 3.2330 no . 4_574
H22C C107 2.8361 no . 4_574
H22C C111 3.5136 no . 4_564
H22C C112 3.1350 no . 4_564
H22C C113 3.4462 no . 4_564
H22C H4 2.9016 no . 4_574
H23 H1A 3.4409 no . 1_545
H23 H22A 3.1112 no . 4_565
H23 H22B 3.5662 no . 4_565
H24 H22A 3.2131 no . 4_565
H24 H22B 3.3861 no . 4_565
H24 H29B 2.8127 no . 4_565
H24 H30A 3.2056 no . 4_565
H25A C5 3.3705 no . 1_545
H25A H5A 3.1762 no . 1_545
H25A H5B 3.2602 no . 3_676
H25A H5C 2.6888 no . 1_545
H25A H27 3.2987 no . 2_645
H25A H28 3.1720 no . 2_645
H25A H29B 3.0395 no . 4_565
H25B C29 3.0489 no . 4_565
H25B H5B 2.8401 no . 3_676
H25B H26A 2.6389 no . 3_676
H25B H29A 2.7976 no . 4_565
H25B H29B 2.4593 no . 4_565
H25B H30A 3.3751 no . 4_565
H26A C25 3.4848 no . 3_676
H26A C26 3.5724 no . 3_676
H26A H5B 3.1066 no . 3_676
H26A H6A 2.8244 no . 3_676
H26A H25B 2.6389 no . 3_676
H26A H26A 2.8117 no . 3_676
H26A H29A 2.9587 no . 2_655
H26A H30B 3.1954 no . 2_655
H26B C27 3.2992 no . 2_645
H26B C28 3.5565 no . 2_645
H26B H1B 2.8532 no . 2_645
H26B H5C 3.1085 no . 2_645
H26B H6A 3.3840 no . 3_676
H26B H27 2.4381 no . 2_645
H26B H28 2.9517 no . 2_645
H26B H30B 3.2971 no . 2_655
H27 C26 3.3870 no . 2_655
H27 C29 3.2294 no . 2_655
H27 C30 3.5622 no . 2_655
H27 H25A 3.2987 no . 2_655
H27 H26B 2.4381 no . 2_655
H27 H29A 2.3125 no . 2_655
H27 H30B 2.9114 no . 2_655
H28 C5 3.1547 no . 4_574
H28 C6 3.5702 no . 4_574
H28 H5A 2.2948 no . 4_574
H28 H5B 3.2283 no . 4_574
H28 H5C 3.5458 no . 2_645
H28 H6A 3.5347 no . 4_574
H28 H6B 2.7917 no . 4_574
H28 H25A 3.1720 no . 2_655
H28 H26B 2.9517 no . 2_655
H29A C5 3.0900 no . 2_645
H29A C26 3.5252 no . 2_645
H29A C27 3.1876 no . 2_645
H29A H5B 2.6890 no . 2_645
H29A H5C 2.6079 no . 2_645
H29A H25B 2.7976 no . 4_564
H29A H26A 2.9587 no . 2_645
H29A H27 2.3125 no . 2_645
H29B C24 3.3536 no . 4_564
H29B C25 3.0755 no . 4_564
H29B H5A 2.7744 no . 4_574
H29B H6A 3.5505 no . 4_564
H29B H24 2.8127 no . 4_564
H29B H25A 3.0395 no . 4_564
H29B H25B 2.4593 no . 4_564
H30A C6 3.0660 no . 4_564
H30A H1A 3.3624 no . 1_545
H30A H1B 3.0560 no . 1_545
H30A H6A 2.7777 no . 4_564
H30A H6B 3.4908 no . 4_564
H30A H6C 2.5384 no . 4_564
H30A H24 3.2056 no . 4_564
H30A H25B 3.3751 no . 4_564
H30B C1 3.3726 no . 1_545
H30B C26 3.5145 no . 2_645
H30B C27 3.4586 no . 2_645
H30B H1A 3.4962 no . 1_545
H30B H1B 2.6724 no . 1_545
H30B H5C 2.9794 no . 1_545
H30B H6A 3.3875 no . 4_564
H30B H26A 3.1954 no . 2_645
H30B H26B 3.2971 no . 2_645
H30B H27 2.9114 no . 2_645

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

#==============================================================================
# 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 1005883'
