#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:59:14 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178763 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/17/4101719.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4101719
loop_
_publ_author_name
'Evans, William J.'
'Montalvo, Elizabeth'
'Champagne, Timothy M.'
'Ziller, Joseph W.'
'DiPasquale, Antonio G.'
'Rheingold, Arnold L.'
_publ_section_title
;
 Organolanthanide-based synthesis of 1,2,3-triazoles from nitriles and
 diazo compounds.
;
_journal_issue                   1
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16
_journal_page_last               17
_journal_paper_doi               10.1021/ja077298e
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C60 H90 N4 Si2 Sm2'
_chemical_formula_weight         1224.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 129.9930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.549(2)
_cell_length_b                   12.9850(11)
_cell_length_c                   20.9316(18)
_cell_measurement_temperature    138(2)
_cell_volume                     5944.8(8)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      138(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20451
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.43
_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
_exptl_absorpt_coefficient_mu    2.035
_exptl_absorpt_correction_T_max  0.6863
_exptl_absorpt_correction_T_min  0.5532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.082
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.064
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.556(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         13367
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0208
_refine_ls_R_factor_gt           0.0199
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0301P)²+1.1879P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0502
_refine_ls_wR_factor_ref         0.0508
_reflns_number_gt                13078
_reflns_number_total             13367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja077298e-file006.cif
_cod_data_source_block
em16,_{(C5Me5)2Sm[\m-N(SiMe3)NC]}2.2(C6H6)_[CCDC#659715]
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1673 2011-04-08 12:14:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        5944.7(9)
_cod_original_sg_symbol_H-M      C2
_cod_database_code               4101719
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 0.700174(5) 0.111365(8) 0.276832(7) 0.01700(3) Uani 1 1 d . . .
Sm2 Sm 0.809870(5) 0.476742(8) 0.224607(7) 0.01590(3) Uani 1 1 d . . .
Si1 Si 0.86265(3) 0.17518(6) 0.48485(4) 0.02291(15) Uani 1 1 d . . .
Si2 Si 0.64897(4) 0.40496(6) 0.01489(5) 0.02654(16) Uani 1 1 d . . .
N1 N 0.80065(9) 0.19576(17) 0.37841(13) 0.0201(4) Uani 1 1 d . . .
N2 N 0.81038(9) 0.27790(17) 0.35067(13) 0.0203(4) Uani 1 1 d . . .
N3 N 0.71129(10) 0.38786(17) 0.12137(13) 0.0209(4) Uani 1 1 d . . .
N4 N 0.69940(9) 0.31124(17) 0.15177(13) 0.0190(4) Uani 1 1 d . . .
C1 C 0.66688(13) 0.1688(2) 0.36732(19) 0.0311(6) Uani 1 1 d . . .
C2 C 0.62313(13) 0.0941(2) 0.31209(19) 0.0298(6) Uani 1 1 d . . .
C3 C 0.58627(12) 0.1366(2) 0.23028(19) 0.0307(7) Uani 1 1 d . . .
C4 C 0.60824(13) 0.2375(3) 0.2375(2) 0.0320(7) Uani 1 1 d . . .
C5 C 0.65746(14) 0.2570(2) 0.3213(2) 0.0317(6) Uani 1 1 d . . .
C6 C 0.70980(17) 0.1614(3) 0.4615(2) 0.0522(10) Uani 1 1 d . . .
H6A H 0.7489 0.1939 0.4849 0.078 Uiso 1 1 calc R . .
H6B H 0.7166 0.0888 0.4781 0.078 Uiso 1 1 calc R . .
H6C H 0.6917 0.1967 0.4824 0.078 Uiso 1 1 calc R . .
C7 C 0.61226(17) -0.0052(3) 0.3382(3) 0.0487(9) Uani 1 1 d . . .
H7A H 0.6500 -0.0459 0.3717 0.073 Uiso 1 1 calc R . .
H7B H 0.5798 -0.0444 0.2884 0.073 Uiso 1 1 calc R . .
H7C H 0.5999 0.0102 0.3713 0.073 Uiso 1 1 calc R . .
C8 C 0.52852(14) 0.0940(3) 0.1518(2) 0.0537(10) Uani 1 1 d . . .
H8A H 0.4934 0.1317 0.1383 0.081 Uiso 1 1 calc R . .
H8B H 0.5249 0.0209 0.1598 0.081 Uiso 1 1 calc R . .
H8C H 0.5294 0.1015 0.1060 0.081 Uiso 1 1 calc R . .
C9 C 0.57769(18) 0.3160(3) 0.1674(3) 0.0574(11) Uani 1 1 d . . .
H9A H 0.5615 0.2813 0.1153 0.086 Uiso 1 1 calc R . .
H9B H 0.6077 0.3680 0.1807 0.086 Uiso 1 1 calc R . .
H9C H 0.5442 0.3495 0.1611 0.086 Uiso 1 1 calc R . .
C10 C 0.69157(18) 0.3575(3) 0.3590(3) 0.0529(10) Uani 1 1 d . . .
H10A H 0.7198 0.3521 0.4200 0.079 Uiso 1 1 calc R . .
H10B H 0.6623 0.4132 0.3413 0.079 Uiso 1 1 calc R . .
H10C H 0.7147 0.3723 0.3402 0.079 Uiso 1 1 calc R . .
C11 C 0.72620(14) -0.0934(2) 0.28539(18) 0.0287(6) Uani 1 1 d . . .
C12 C 0.66439(13) -0.0824(2) 0.2107(2) 0.0292(6) Uani 1 1 d . . .
C13 C 0.66466(11) -0.0230(3) 0.15407(16) 0.0273(5) Uani 1 1 d . . .
C14 C 0.72612(12) 0.0003(2) 0.19262(16) 0.0240(6) Uani 1 1 d . . .
C15 C 0.76371(12) -0.0426(2) 0.27352(17) 0.0244(6) Uani 1 1 d . . .
C16 C 0.74780(17) -0.1615(2) 0.3585(2) 0.0421(7) Uani 1 1 d . . .
H16A H 0.7488 -0.2333 0.3451 0.063 Uiso 1 1 calc R . .
H16B H 0.7197 -0.1550 0.3701 0.063 Uiso 1 1 calc R . .
H16C H 0.7889 -0.1402 0.4078 0.063 Uiso 1 1 calc R . .
C17 C 0.61098(17) -0.1416(3) 0.1892(3) 0.0500(9) Uani 1 1 d . . .
H17A H 0.5736 -0.1007 0.1514 0.075 Uiso 1 1 calc R . .
H17B H 0.6174 -0.1566 0.2403 0.075 Uiso 1 1 calc R . .
H17C H 0.6069 -0.2064 0.1619 0.075 Uiso 1 1 calc R . .
C18 C 0.60907(14) 0.0027(3) 0.06477(19) 0.0434(8) Uani 1 1 d . . .
H18A H 0.6080 0.0770 0.0556 0.065 Uiso 1 1 calc R . .
H18B H 0.5719 -0.0179 0.0549 0.065 Uiso 1 1 calc R . .
H18C H 0.6115 -0.0344 0.0262 0.065 Uiso 1 1 calc R . .
C19 C 0.74756(15) 0.0518(3) 0.1511(2) 0.0391(7) Uani 1 1 d . . .
H19A H 0.7804 0.1004 0.1901 0.059 Uiso 1 1 calc R . .
H19B H 0.7134 0.0890 0.1015 0.059 Uiso 1 1 calc R . .
H19C H 0.7628 -0.0004 0.1346 0.059 Uiso 1 1 calc R . .
C20 C 0.83272(12) -0.0439(2) 0.33235(18) 0.0344(7) Uani 1 1 d . . .
H20A H 0.8467 -0.1025 0.3191 0.052 Uiso 1 1 calc R . .
H20B H 0.8486 -0.0502 0.3899 0.052 Uiso 1 1 calc R . .
H20C H 0.8476 0.0203 0.3263 0.052 Uiso 1 1 calc R . .
C21 C 0.81451(14) 0.6008(2) 0.33269(18) 0.0264(6) Uani 1 1 d . . .
C22 C 0.85179(13) 0.6519(2) 0.31943(17) 0.0251(6) Uani 1 1 d . . .
C23 C 0.81305(12) 0.6881(2) 0.23631(17) 0.0245(5) Uani 1 1 d . . .
C24 C 0.75257(12) 0.6607(2) 0.19847(18) 0.0259(6) Uani 1 1 d . . .
C25 C 0.75335(12) 0.6063(2) 0.25803(18) 0.0277(5) Uani 1 1 d . . .
C26 C 0.83675(18) 0.5611(3) 0.4153(2) 0.0420(8) Uani 1 1 d . . .
H26A H 0.8742 0.5209 0.4418 0.063 Uiso 1 1 calc R . .
H26B H 0.8053 0.5171 0.4069 0.063 Uiso 1 1 calc R . .
H26C H 0.8453 0.6192 0.4513 0.063 Uiso 1 1 calc R . .
C27 C 0.91836(14) 0.6759(3) 0.3878(2) 0.0395(7) Uani 1 1 d . . .
H27A H 0.9227 0.7254 0.4266 0.059 Uiso 1 1 calc R . .
H27B H 0.9354 0.7056 0.3635 0.059 Uiso 1 1 calc R . .
H27C H 0.9404 0.6125 0.4177 0.059 Uiso 1 1 calc R . .
C28 C 0.83004(17) 0.7585(2) 0.1965(2) 0.0390(7) Uani 1 1 d . . .
H28A H 0.8193 0.7255 0.1465 0.059 Uiso 1 1 calc R . .
H28B H 0.8741 0.7720 0.2361 0.059 Uiso 1 1 calc R . .
H28C H 0.8077 0.8236 0.1810 0.059 Uiso 1 1 calc R . .
C29 C 0.69635(15) 0.7000(2) 0.1149(2) 0.0428(8) Uani 1 1 d . . .
H29A H 0.6619 0.6538 0.0931 0.064 Uiso 1 1 calc R . .
H29B H 0.7043 0.7024 0.0758 0.064 Uiso 1 1 calc R . .
H29C H 0.6865 0.7693 0.1216 0.064 Uiso 1 1 calc R . .
C30 C 0.69775(16) 0.5688(3) 0.2441(3) 0.0472(9) Uani 1 1 d . . .
H30A H 0.6637 0.6162 0.2066 0.071 Uiso 1 1 calc R . .
H30B H 0.7064 0.5656 0.2976 0.071 Uiso 1 1 calc R . .
H30C H 0.6868 0.5000 0.2190 0.071 Uiso 1 1 calc R . .
C31 C 0.88640(12) 0.3273(2) 0.24702(17) 0.0238(5) Uani 1 1 d . . .
C32 C 0.92459(12) 0.4124(2) 0.29324(17) 0.0240(5) Uani 1 1 d . . .
C33 C 0.91144(12) 0.4908(2) 0.23663(17) 0.0252(5) Uani 1 1 d . . .
C34 C 0.86346(13) 0.4542(2) 0.15479(18) 0.0270(6) Uani 1 1 d . . .
C35 C 0.84834(13) 0.3529(2) 0.16110(17) 0.0247(6) Uani 1 1 d . . .
C36 C 0.89167(15) 0.2222(2) 0.2817(2) 0.0355(7) Uani 1 1 d . . .
H36A H 0.9124 0.1753 0.2702 0.053 Uiso 1 1 calc R . .
H36B H 0.8507 0.1956 0.2553 0.053 Uiso 1 1 calc R . .
H36C H 0.9153 0.2272 0.3421 0.053 Uiso 1 1 calc R . .
C37 C 0.97474(13) 0.4155(3) 0.38699(18) 0.0387(7) Uani 1 1 d . . .
H37A H 0.9579 0.3958 0.4139 0.058 Uiso 1 1 calc R . .
H37B H 0.9915 0.4853 0.4043 0.058 Uiso 1 1 calc R . .
H37C H 1.0073 0.3673 0.4035 0.058 Uiso 1 1 calc R . .
C38 C 0.94888(15) 0.5862(2) 0.2561(2) 0.0395(7) Uani 1 1 d . . .
H38A H 0.9791 0.5711 0.2492 0.059 Uiso 1 1 calc R . .
H38B H 0.9700 0.6075 0.3137 0.059 Uiso 1 1 calc R . .
H38C H 0.9219 0.6417 0.2180 0.059 Uiso 1 1 calc R . .
C39 C 0.83977(17) 0.5094(3) 0.0763(2) 0.0418(8) Uani 1 1 d . . .
H39A H 0.8102 0.4655 0.0281 0.063 Uiso 1 1 calc R . .
H39B H 0.8739 0.5253 0.0774 0.063 Uiso 1 1 calc R . .
H39C H 0.8198 0.5735 0.0719 0.063 Uiso 1 1 calc R . .
C40 C 0.80572(15) 0.2790(2) 0.09078(18) 0.0339(7) Uani 1 1 d . . .
H40A H 0.7772 0.3176 0.0387 0.051 Uiso 1 1 calc R . .
H40B H 0.7828 0.2399 0.1027 0.051 Uiso 1 1 calc R . .
H40C H 0.8295 0.2314 0.0851 0.051 Uiso 1 1 calc R . .
C41 C 0.81723(12) 0.3490(2) 0.32350(16) 0.0224(5) Uani 1 1 d . . .
C42 C 0.69033(12) 0.2440(2) 0.17938(16) 0.0239(5) Uani 1 1 d . . .
C43 C 0.87126(15) 0.2891(2) 0.54614(19) 0.0382(7) Uani 1 1 d . . .
H43A H 0.8683 0.3525 0.5183 0.057 Uiso 1 1 calc R . .
H43B H 0.9112 0.2864 0.6023 0.057 Uiso 1 1 calc R . .
H43C H 0.8388 0.2882 0.5500 0.057 Uiso 1 1 calc R . .
C44 C 0.93490(12) 0.1620(2) 0.50170(18) 0.0307(6) Uani 1 1 d . . .
H44A H 0.9334 0.0989 0.4747 0.046 Uiso 1 1 calc R . .
H44B H 0.9697 0.1586 0.5616 0.046 Uiso 1 1 calc R . .
H44C H 0.9397 0.2216 0.4776 0.046 Uiso 1 1 calc R . .
C45 C 0.84561(14) 0.0548(2) 0.51609(19) 0.0338(7) Uani 1 1 d . . .
H45A H 0.8032 0.0338 0.4711 0.051 Uiso 1 1 calc R . .
H45B H 0.8513 0.0679 0.5668 0.051 Uiso 1 1 calc R . .
H45C H 0.8734 -0.0002 0.5267 0.051 Uiso 1 1 calc R . .
C46 C 0.58094(13) 0.4477(3) 0.0014(2) 0.0392(8) Uani 1 1 d . . .
H46A H 0.5673 0.3918 0.0174 0.059 Uiso 1 1 calc R . .
H46B H 0.5480 0.4661 -0.0571 0.059 Uiso 1 1 calc R . .
H46C H 0.5917 0.5079 0.0368 0.059 Uiso 1 1 calc R . .
C47 C 0.67332(18) 0.5017(3) -0.0240(2) 0.0457(9) Uani 1 1 d . . .
H47A H 0.7042 0.5473 0.0218 0.069 Uiso 1 1 calc R . .
H47B H 0.6379 0.5425 -0.0685 0.069 Uiso 1 1 calc R . .
H47C H 0.6908 0.4664 -0.0459 0.069 Uiso 1 1 calc R . .
C48 C 0.62930(15) 0.2804(2) -0.04199(18) 0.0394(8) Uani 1 1 d . . .
H48A H 0.6648 0.2553 -0.0348 0.059 Uiso 1 1 calc R . .
H48B H 0.5950 0.2911 -0.1014 0.059 Uiso 1 1 calc R . .
H48C H 0.6178 0.2297 -0.0196 0.059 Uiso 1 1 calc R . .
C49 C 0.52204(17) 0.7482(3) -0.1932(3) 0.0494(9) Uani 1 1 d . . .
H49A H 0.5342 0.7821 -0.2207 0.059 Uiso 1 1 calc R . .
C50 C 0.54635(16) 0.7780(3) -0.1139(3) 0.0510(10) Uani 1 1 d . . .
H50A H 0.5761 0.8313 -0.0862 0.061 Uiso 1 1 calc R . .
C51 C 0.52785(17) 0.7312(3) -0.0753(3) 0.0537(10) Uani 1 1 d . . .
H51A H 0.5443 0.7529 -0.0211 0.064 Uiso 1 1 calc R . .
C52 C 0.48575(18) 0.6533(3) -0.1138(3) 0.0536(11) Uani 1 1 d . . .
H52A H 0.4730 0.6206 -0.0866 0.064 Uiso 1 1 calc R . .
C53 C 0.46243(16) 0.6232(3) -0.1916(3) 0.0508(10) Uani 1 1 d . . .
H53A H 0.4332 0.5691 -0.2186 0.061 Uiso 1 1 calc R . .
C54 C 0.48026(18) 0.6695(3) -0.2321(2) 0.0499(10) Uani 1 1 d . . .
H54A H 0.4639 0.6473 -0.2862 0.060 Uiso 1 1 calc R . .
C55 C 0.9963(2) -0.1179(4) 0.7231(3) 0.0687(14) Uani 1 1 d . . .
H55A H 1.0022 -0.1141 0.7732 0.082 Uiso 1 1 calc R . .
C56 C 1.02854(18) -0.0545(4) 0.7118(3) 0.0597(13) Uani 1 1 d . . .
H56A H 1.0578 -0.0084 0.7550 0.072 Uiso 1 1 calc R . .
C57 C 1.01946(15) -0.0564(3) 0.6407(3) 0.0456(9) Uani 1 1 d . . .
H57A H 1.0422 -0.0114 0.6338 0.055 Uiso 1 1 calc R . .
C58 C 0.97805(17) -0.1219(3) 0.5781(2) 0.0463(9) Uani 1 1 d . . .
H58A H 0.9712 -0.1222 0.5273 0.056 Uiso 1 1 calc R . .
C59 C 0.94629(17) -0.1877(3) 0.5895(3) 0.0574(11) Uani 1 1 d . . .
H59A H 0.9176 -0.2345 0.5465 0.069 Uiso 1 1 calc R . .
C60 C 0.9557(2) -0.1864(3) 0.6627(4) 0.0628(13) Uani 1 1 d . . .
H60A H 0.9343 -0.2327 0.6710 0.075 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cnt1 Sm1 N1 109.4 . . ?
Cnt1 Sm1 C42 101.6 . . ?
Cnt2 Sm1 N1 111.4 . . ?
Cnt2 Sm1 C42 101.3 . . ?
Cnt1 Sm1 Cnt2 135.3 . . ?
Cnt3 Sm2 N3 112.1 . . ?
Cnt3 Sm2 C41 102.4 . . ?
Cnt4 Sm2 N3 109.8 . . ?
Cnt4 Sm2 C41 101.2 . . ?
Cnt3 Sm2 Cnt4 134.1 . . ?
N1 Sm1 C42 81.87(8) . . ?
N1 Sm1 C13 128.46(7) . . ?
C42 Sm1 C13 83.93(10) . . ?
N1 Sm1 C1 90.64(8) . . ?
C42 Sm1 C1 117.77(9) . . ?
C13 Sm1 C1 138.98(9) . . ?
N1 Sm1 C5 85.70(8) . . ?
C42 Sm1 C5 87.76(9) . . ?
C13 Sm1 C5 142.82(9) . . ?
C1 Sm1 C5 30.02(9) . . ?
N1 Sm1 C14 98.26(7) . . ?
C42 Sm1 C14 77.02(9) . . ?
C13 Sm1 C14 30.20(7) . . ?
C1 Sm1 C14 163.87(9) . . ?
C5 Sm1 C14 163.48(9) . . ?
N1 Sm1 C15 85.64(8) . . ?
C42 Sm1 C15 102.02(9) . . ?
C13 Sm1 C15 49.71(8) . . ?
C1 Sm1 C15 139.08(9) . . ?
C5 Sm1 C15 165.88(9) . . ?
C14 Sm1 C15 30.01(8) . . ?
N1 Sm1 C4 110.63(9) . . ?
C42 Sm1 C4 76.28(9) . . ?
C13 Sm1 C4 113.51(9) . . ?
C1 Sm1 C4 49.18(9) . . ?
C5 Sm1 C4 29.66(10) . . ?
C14 Sm1 C4 136.91(9) . . ?
C15 Sm1 C4 162.96(9) . . ?
N1 Sm1 C12 133.87(8) . . ?
C42 Sm1 C12 113.84(9) . . ?
C13 Sm1 C12 30.20(9) . . ?
C1 Sm1 C12 114.98(9) . . ?
C5 Sm1 C12 135.23(9) . . ?
C14 Sm1 C12 49.68(8) . . ?
C15 Sm1 C12 49.55(8) . . ?
C4 Sm1 C12 115.14(10) . . ?
N1 Sm1 C11 104.97(8) . . ?
C42 Sm1 C11 126.58(9) . . ?
C13 Sm1 C11 49.89(10) . . ?
C1 Sm1 C11 115.08(9) . . ?
C5 Sm1 C11 144.75(9) . . ?
C14 Sm1 C11 49.61(8) . . ?
C15 Sm1 C11 29.87(8) . . ?
C4 Sm1 C11 140.35(10) . . ?
C12 Sm1 C11 30.23(9) . . ?
N1 Sm1 C2 119.53(8) . . ?
C42 Sm1 C2 125.23(8) . . ?
C13 Sm1 C2 109.09(9) . . ?
C1 Sm1 C2 29.91(9) . . ?
C5 Sm1 C2 49.51(9) . . ?
C14 Sm1 C2 136.87(8) . . ?
C15 Sm1 C2 127.44(8) . . ?
C4 Sm1 C2 49.39(8) . . ?
C12 Sm1 C2 87.59(9) . . ?
C11 Sm1 C2 97.71(9) . . ?
N1 Sm1 C3 134.94(8) . . ?
C42 Sm1 C3 98.00(9) . . ?
C13 Sm1 C3 95.99(8) . . ?
C1 Sm1 C3 49.42(9) . . ?
C5 Sm1 C3 49.43(9) . . ?
C14 Sm1 C3 125.84(9) . . ?
C15 Sm1 C3 137.06(9) . . ?
C4 Sm1 C3 29.97(9) . . ?
C12 Sm1 C3 87.62(9) . . ?
C11 Sm1 C3 110.41(9) . . ?
C2 Sm1 C3 30.06(9) . . ?
N3 Sm2 C41 81.93(8) . . ?
N3 Sm2 C21 115.13(8) . . ?
C41 Sm2 C21 76.99(8) . . ?
N3 Sm2 C25 89.04(8) . . ?
C41 Sm2 C25 86.93(9) . . ?
C21 Sm2 C25 30.13(8) . . ?
N3 Sm2 C34 101.38(8) . . ?
C41 Sm2 C34 125.63(8) . . ?
C21 Sm2 C34 140.16(9) . . ?
C25 Sm2 C34 146.66(8) . . ?
N3 Sm2 C35 83.54(8) . . ?
C41 Sm2 C35 99.37(9) . . ?
C21 Sm2 C35 159.80(9) . . ?
C25 Sm2 C35 169.45(8) . . ?
C34 Sm2 C35 30.13(8) . . ?
N3 Sm2 C32 128.67(8) . . ?
C41 Sm2 C32 85.92(8) . . ?
C21 Sm2 C32 110.14(8) . . ?
C25 Sm2 C32 139.92(8) . . ?
C34 Sm2 C32 49.62(8) . . ?
C35 Sm2 C32 49.66(8) . . ?
N3 Sm2 C31 98.88(8) . . ?
C41 Sm2 C31 76.05(9) . . ?
C21 Sm2 C31 132.46(9) . . ?
C25 Sm2 C31 159.92(9) . . ?
C34 Sm2 C31 49.66(8) . . ?
C35 Sm2 C31 30.15(8) . . ?
C32 Sm2 C31 29.98(8) . . ?
N3 Sm2 C22 138.05(8) . . ?
C41 Sm2 C22 100.50(9) . . ?
C21 Sm2 C22 30.33(8) . . ?
C25 Sm2 C22 49.73(8) . . ?
C34 Sm2 C22 110.07(9) . . ?
C35 Sm2 C22 135.90(8) . . ?
C32 Sm2 C22 93.16(8) . . ?
C31 Sm2 C22 122.54(8) . . ?
N3 Sm2 C24 91.97(8) . . ?
C41 Sm2 C24 117.07(9) . . ?
C21 Sm2 C24 49.62(9) . . ?
C25 Sm2 C24 30.16(9) . . ?
C34 Sm2 C24 117.02(8) . . ?
C35 Sm2 C24 142.32(9) . . ?
C32 Sm2 C24 137.02(8) . . ?
C31 Sm2 C24 164.23(8) . . ?
C22 Sm2 C24 49.30(8) . . ?
N3 Sm2 C33 130.72(8) . . ?
C41 Sm2 C33 115.87(8) . . ?
C21 Sm2 C33 113.64(9) . . ?
C25 Sm2 C33 134.52(8) . . ?
C34 Sm2 C33 30.08(8) . . ?
C35 Sm2 C33 49.66(9) . . ?
C32 Sm2 C33 29.99(8) . . ?
C31 Sm2 C33 49.53(8) . . ?
C22 Sm2 C33 86.24(8) . . ?
C24 Sm2 C33 114.74(8) . . ?
N3 Sm2 C23 119.84(8) . . ?
C41 Sm2 C23 126.50(9) . . ?
C21 Sm2 C23 49.60(9) . . ?
C25 Sm2 C23 49.48(8) . . ?
C34 Sm2 C23 99.03(8) . . ?
C35 Sm2 C23 129.13(8) . . ?
C32 Sm2 C23 107.38(8) . . ?
C31 Sm2 C23 135.83(8) . . ?
C22 Sm2 C23 29.84(8) . . ?
C24 Sm2 C23 29.64(8) . . ?
C33 Sm2 C23 87.31(8) . . ?
N1 Si1 C44 110.10(12) . . ?
N1 Si1 C43 109.30(13) . . ?
C44 Si1 C43 107.56(15) . . ?
N1 Si1 C45 107.02(12) . . ?
C44 Si1 C45 111.17(14) . . ?
C43 Si1 C45 111.70(15) . . ?
N3 Si2 C47 106.42(14) . . ?
N3 Si2 C46 109.73(13) . . ?
C47 Si2 C46 112.35(17) . . ?
N3 Si2 C48 110.11(12) . . ?
C47 Si2 C48 110.47(16) . . ?
C46 Si2 C48 107.77(15) . . ?
N2 N1 Si1 110.67(16) . . ?
N2 N1 Sm1 115.71(15) . . ?
Si1 N1 Sm1 133.49(11) . . ?
C41 N2 N1 177.6(3) . . ?
N4 N3 Si2 109.76(16) . . ?
N4 N3 Sm2 115.23(15) . . ?
Si2 N3 Sm2 134.92(11) . . ?
C42 N4 N3 178.6(3) . . ?
C5 C1 C2 108.7(3) . . ?
C5 C1 C6 125.6(3) . . ?
C2 C1 C6 125.0(3) . . ?
C5 C1 Sm1 75.17(16) . . ?
C2 C1 Sm1 76.18(15) . . ?
C6 C1 Sm1 122.53(19) . . ?
C1 C2 C3 107.5(2) . . ?
C1 C2 C7 124.9(3) . . ?
C3 C2 C7 127.0(3) . . ?
C1 C2 Sm1 73.91(15) . . ?
C3 C2 Sm1 75.25(15) . . ?
C7 C2 Sm1 123.66(19) . . ?
C4 C3 C2 107.2(3) . . ?
C4 C3 C8 123.9(3) . . ?
C2 C3 C8 128.1(3) . . ?
C4 C3 Sm1 74.38(15) . . ?
C2 C3 Sm1 74.69(15) . . ?
C8 C3 Sm1 124.2(2) . . ?
C5 C4 C3 108.7(3) . . ?
C5 C4 C9 125.5(3) . . ?
C3 C4 C9 125.3(3) . . ?
C5 C4 Sm1 74.57(16) . . ?
C3 C4 Sm1 75.65(16) . . ?
C9 C4 Sm1 122.6(2) . . ?
C4 C5 C1 108.0(3) . . ?
C4 C5 C10 127.1(3) . . ?
C1 C5 C10 124.7(3) . . ?
C4 C5 Sm1 75.77(17) . . ?
C1 C5 Sm1 74.82(16) . . ?
C10 C5 Sm1 120.0(2) . . ?
C15 C11 C12 107.8(2) . . ?
C15 C11 C16 126.1(3) . . ?
C12 C11 C16 125.5(3) . . ?
C15 C11 Sm1 74.88(15) . . ?
C12 C11 Sm1 74.84(16) . . ?
C16 C11 Sm1 123.43(19) . . ?
C13 C12 C11 107.7(2) . . ?
C13 C12 C17 125.5(3) . . ?
C11 C12 C17 125.6(3) . . ?
C13 C12 Sm1 73.86(16) . . ?
C11 C12 Sm1 74.94(15) . . ?
C17 C12 Sm1 127.0(2) . . ?
C14 C13 C12 108.1(2) . . ?
C14 C13 C18 125.9(3) . . ?
C12 C13 C18 125.8(3) . . ?
C14 C13 Sm1 75.53(15) . . ?
C12 C13 Sm1 75.94(15) . . ?
C18 C13 Sm1 118.9(2) . . ?
C15 C14 C13 107.9(2) . . ?
C15 C14 C19 126.2(3) . . ?
C13 C14 C19 125.6(3) . . ?
C15 C14 Sm1 75.28(15) . . ?
C13 C14 Sm1 74.27(16) . . ?
C19 C14 Sm1 121.29(19) . . ?
C11 C15 C14 108.5(2) . . ?
C11 C15 C20 126.3(3) . . ?
C14 C15 C20 124.7(3) . . ?
C11 C15 Sm1 75.24(15) . . ?
C14 C15 Sm1 74.71(15) . . ?
C20 C15 Sm1 121.81(17) . . ?
C25 C21 C22 107.9(2) . . ?
C25 C21 C26 126.9(3) . . ?
C22 C21 C26 124.7(3) . . ?
C25 C21 Sm2 75.16(16) . . ?
C22 C21 Sm2 75.91(15) . . ?
C26 C21 Sm2 121.1(2) . . ?
C23 C22 C21 107.6(2) . . ?
C23 C22 C27 127.8(3) . . ?
C21 C22 C27 123.8(3) . . ?
C23 C22 Sm2 75.62(15) . . ?
C21 C22 Sm2 73.76(16) . . ?
C27 C22 Sm2 123.95(19) . . ?
C24 C23 C22 108.4(2) . . ?
C24 C23 C28 123.7(3) . . ?
C22 C23 C28 127.2(3) . . ?
C24 C23 Sm2 74.92(15) . . ?
C22 C23 Sm2 74.55(15) . . ?
C28 C23 Sm2 123.91(18) . . ?
C23 C24 C25 108.1(2) . . ?
C23 C24 C29 124.9(3) . . ?
C25 C24 C29 126.1(3) . . ?
C23 C24 Sm2 75.43(16) . . ?
C25 C24 Sm2 73.78(15) . . ?
C29 C24 Sm2 125.27(19) . . ?
C21 C25 C24 107.9(2) . . ?
C21 C25 C30 126.9(3) . . ?
C24 C25 C30 125.0(3) . . ?
C21 C25 Sm2 74.71(15) . . ?
C24 C25 Sm2 76.05(15) . . ?
C30 C25 Sm2 118.6(2) . . ?
C32 C31 C35 108.1(2) . . ?
C32 C31 C36 125.8(3) . . ?
C35 C31 C36 125.5(3) . . ?
C32 C31 Sm2 74.99(15) . . ?
C35 C31 Sm2 74.88(15) . . ?
C36 C31 Sm2 123.24(19) . . ?
C31 C32 C33 108.5(2) . . ?
C31 C32 C37 125.4(3) . . ?
C33 C32 C37 125.9(3) . . ?
C31 C32 Sm2 75.03(15) . . ?
C33 C32 Sm2 75.91(14) . . ?
C37 C32 Sm2 119.33(19) . . ?
C32 C33 C34 107.4(2) . . ?
C32 C33 C38 127.0(3) . . ?
C34 C33 C38 124.5(3) . . ?
C32 C33 Sm2 74.10(15) . . ?
C34 C33 Sm2 74.03(15) . . ?
C38 C33 Sm2 126.92(18) . . ?
C35 C34 C33 108.3(2) . . ?
C35 C34 C39 126.6(3) . . ?
C33 C34 C39 124.6(3) . . ?
C35 C34 Sm2 74.94(15) . . ?
C33 C34 Sm2 75.89(14) . . ?
C39 C34 Sm2 121.58(19) . . ?
C34 C35 C31 107.7(2) . . ?
C34 C35 C40 127.1(3) . . ?
C31 C35 C40 124.7(3) . . ?
C34 C35 Sm2 74.93(15) . . ?
C31 C35 Sm2 74.96(15) . . ?
C40 C35 Sm2 121.79(19) . . ?
N2 C41 Sm2 163.4(2) . . ?
N4 C42 Sm1 163.9(2) . . ?
C54 C49 C50 119.8(4) . . ?
C51 C50 C49 120.2(4) . . ?
C50 C51 C52 120.6(4) . . ?
C53 C52 C51 119.0(4) . . ?
C52 C53 C54 121.4(4) . . ?
C49 C54 C53 118.9(4) . . ?
C60 C55 C56 120.0(4) . . ?
C57 C56 C55 120.8(4) . . ?
C56 C57 C58 120.7(4) . . ?
C57 C58 C59 119.0(4) . . ?
C58 C59 C60 120.5(4) . . ?
C55 C60 C59 118.9(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sm1 Cnt1 2.453 . ?
Sm1 Cnt2 2.445 . ?
Sm2 Cnt3 2.452 . ?
Sm2 Cnt4 2.452 . ?
Sm1 N1 2.472(2) . ?
Sm1 C42 2.543(3) . ?
Sm1 C13 2.707(3) . ?
Sm1 C1 2.713(3) . ?
Sm1 C5 2.718(3) . ?
Sm1 C14 2.723(3) . ?
Sm1 C15 2.730(2) . ?
Sm1 C4 2.733(3) . ?
Sm1 C12 2.734(3) . ?
Sm1 C11 2.735(3) . ?
Sm1 C2 2.742(2) . ?
Sm1 C3 2.749(3) . ?
Sm2 N3 2.471(2) . ?
Sm2 C41 2.554(3) . ?
Sm2 C21 2.710(3) . ?
Sm2 C25 2.715(3) . ?
Sm2 C34 2.727(3) . ?
Sm2 C35 2.727(3) . ?
Sm2 C32 2.728(3) . ?
Sm2 C31 2.728(3) . ?
Sm2 C22 2.737(3) . ?
Sm2 C24 2.745(3) . ?
Sm2 C33 2.751(2) . ?
Sm2 C23 2.751(3) . ?
Si1 N1 1.761(2) . ?
Si1 C44 1.864(3) . ?
Si1 C43 1.868(3) . ?
Si1 C45 1.875(3) . ?
Si2 N3 1.756(2) . ?
Si2 C47 1.859(3) . ?
Si2 C46 1.859(3) . ?
Si2 C48 1.868(3) . ?
N1 N2 1.326(3) . ?
N2 C41 1.165(4) . ?
N3 N4 1.337(3) . ?
N4 C42 1.165(4) . ?
C1 C5 1.407(4) . ?
C1 C2 1.408(4) . ?
C1 C6 1.513(4) . ?
C2 C3 1.424(4) . ?
C2 C7 1.508(4) . ?
C3 C4 1.418(4) . ?
C3 C8 1.497(4) . ?
C4 C5 1.395(5) . ?
C4 C9 1.519(4) . ?
C5 C10 1.512(5) . ?
C11 C15 1.409(4) . ?
C11 C12 1.426(4) . ?
C11 C16 1.514(4) . ?
C12 C13 1.418(4) . ?
C12 C17 1.496(4) . ?
C13 C14 1.415(4) . ?
C13 C18 1.520(4) . ?
C14 C15 1.412(4) . ?
C14 C19 1.504(4) . ?
C15 C20 1.510(4) . ?
C21 C25 1.410(4) . ?
C21 C22 1.425(4) . ?
C21 C26 1.500(4) . ?
C22 C23 1.413(4) . ?
C22 C27 1.504(4) . ?
C23 C24 1.406(4) . ?
C23 C28 1.512(4) . ?
C24 C25 1.421(4) . ?
C24 C29 1.513(4) . ?
C25 C30 1.499(4) . ?
C31 C32 1.411(4) . ?
C31 C35 1.419(4) . ?
C31 C36 1.507(4) . ?
C32 C33 1.418(4) . ?
C32 C37 1.514(4) . ?
C33 C34 1.421(4) . ?
C33 C38 1.510(4) . ?
C34 C35 1.417(4) . ?
C34 C39 1.498(4) . ?
C35 C40 1.505(4) . ?
C49 C54 1.372(6) . ?
C49 C50 1.380(6) . ?
C50 C51 1.360(6) . ?
C51 C52 1.369(6) . ?
C52 C53 1.363(6) . ?
C53 C54 1.376(6) . ?
C55 C60 1.360(7) . ?
C55 C56 1.363(7) . ?
C56 C57 1.338(6) . ?
C57 C58 1.359(5) . ?
C58 C59 1.374(6) . ?
C59 C60 1.374(7) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C44 Si1 N1 N2 -56.7(2) . . . . ?
C43 Si1 N1 N2 61.2(2) . . . . ?
C45 Si1 N1 N2 -177.64(18) . . . . ?
C44 Si1 N1 Sm1 127.73(16) . . . . ?
C43 Si1 N1 Sm1 -114.34(18) . . . . ?
C45 Si1 N1 Sm1 6.8(2) . . . . ?
C42 Sm1 N1 N2 5.43(17) . . . . ?
C13 Sm1 N1 N2 81.0(2) . . . . ?
C1 Sm1 N1 N2 -112.55(18) . . . . ?
C5 Sm1 N1 N2 -82.92(18) . . . . ?
C14 Sm1 N1 N2 80.95(18) . . . . ?
C15 Sm1 N1 N2 108.24(18) . . . . ?
C4 Sm1 N1 N2 -66.53(18) . . . . ?
C12 Sm1 N1 N2 120.83(18) . . . . ?
C11 Sm1 N1 N2 131.23(17) . . . . ?
C2 Sm1 N1 N2 -120.65(17) . . . . ?
C3 Sm1 N1 N2 -87.79(19) . . . . ?
C42 Sm1 N1 Si1 -179.18(17) . . . . ?
C13 Sm1 N1 Si1 -103.64(17) . . . . ?
C1 Sm1 N1 Si1 62.85(16) . . . . ?
C5 Sm1 N1 Si1 92.48(17) . . . . ?
C14 Sm1 N1 Si1 -103.65(16) . . . . ?
C15 Sm1 N1 Si1 -76.36(16) . . . . ?
C4 Sm1 N1 Si1 108.87(16) . . . . ?
C12 Sm1 N1 Si1 -63.8(2) . . . . ?
C11 Sm1 N1 Si1 -53.37(17) . . . . ?
C2 Sm1 N1 Si1 54.75(18) . . . . ?
C3 Sm1 N1 Si1 87.61(19) . . . . ?
Si1 N1 N2 C41 168(6) . . . . ?
Sm1 N1 N2 C41 -16(6) . . . . ?
C47 Si2 N3 N4 -173.6(2) . . . . ?
C46 Si2 N3 N4 64.6(2) . . . . ?
C48 Si2 N3 N4 -53.8(2) . . . . ?
C47 Si2 N3 Sm2 10.1(2) . . . . ?
C46 Si2 N3 Sm2 -111.70(18) . . . . ?
C48 Si2 N3 Sm2 129.84(18) . . . . ?
C41 Sm2 N3 N4 -1.12(17) . . . . ?
C21 Sm2 N3 N4 -72.60(19) . . . . ?
C25 Sm2 N3 N4 -88.16(18) . . . . ?
C34 Sm2 N3 N4 123.74(17) . . . . ?
C35 Sm2 N3 N4 99.35(18) . . . . ?
C32 Sm2 N3 N4 77.0(2) . . . . ?
C31 Sm2 N3 N4 73.30(18) . . . . ?
C22 Sm2 N3 N4 -97.9(2) . . . . ?
C24 Sm2 N3 N4 -118.18(18) . . . . ?
C33 Sm2 N3 N4 116.22(18) . . . . ?
C23 Sm2 N3 N4 -128.80(17) . . . . ?
C41 Sm2 N3 Si2 175.06(18) . . . . ?
C21 Sm2 N3 Si2 103.58(17) . . . . ?
C25 Sm2 N3 Si2 88.02(17) . . . . ?
C34 Sm2 N3 Si2 -60.08(17) . . . . ?
C35 Sm2 N3 Si2 -84.48(17) . . . . ?
C32 Sm2 N3 Si2 -106.81(17) . . . . ?
C31 Sm2 N3 Si2 -110.52(17) . . . . ?
C22 Sm2 N3 Si2 78.3(2) . . . . ?
C24 Sm2 N3 Si2 58.00(17) . . . . ?
C33 Sm2 N3 Si2 -67.6(2) . . . . ?
C23 Sm2 N3 Si2 47.37(19) . . . . ?
Si2 N3 N4 C42 147(11) . . . . ?
Sm2 N3 N4 C42 -36(11) . . . . ?
N1 Sm1 C1 C5 80.27(18) . . . . ?
C42 Sm1 C1 C5 -0.9(2) . . . . ?
C13 Sm1 C1 C5 -115.9(2) . . . . ?
C14 Sm1 C1 C5 -156.0(3) . . . . ?
C15 Sm1 C1 C5 164.34(17) . . . . ?
C4 Sm1 C1 C5 -36.86(18) . . . . ?
C12 Sm1 C1 C5 -139.39(18) . . . . ?
C11 Sm1 C1 C5 -172.84(17) . . . . ?
C2 Sm1 C1 C5 -114.0(3) . . . . ?
C3 Sm1 C1 C5 -76.7(2) . . . . ?
N1 Sm1 C1 C2 -165.77(17) . . . . ?
C42 Sm1 C1 C2 113.09(17) . . . . ?
C13 Sm1 C1 C2 -2.0(2) . . . . ?
C5 Sm1 C1 C2 114.0(3) . . . . ?
C14 Sm1 C1 C2 -42.0(4) . . . . ?
C15 Sm1 C1 C2 -81.7(2) . . . . ?
C4 Sm1 C1 C2 77.10(18) . . . . ?
C12 Sm1 C1 C2 -25.43(19) . . . . ?
C11 Sm1 C1 C2 -58.88(19) . . . . ?
C3 Sm1 C1 C2 37.21(16) . . . . ?
N1 Sm1 C1 C6 -42.8(3) . . . . ?
C42 Sm1 C1 C6 -123.9(3) . . . . ?
C13 Sm1 C1 C6 121.0(3) . . . . ?
C5 Sm1 C1 C6 -123.1(4) . . . . ?
C14 Sm1 C1 C6 80.9(4) . . . . ?
C15 Sm1 C1 C6 41.3(3) . . . . ?
C4 Sm1 C1 C6 -159.9(3) . . . . ?
C12 Sm1 C1 C6 97.5(3) . . . . ?
C11 Sm1 C1 C6 64.1(3) . . . . ?
C2 Sm1 C1 C6 123.0(4) . . . . ?
C3 Sm1 C1 C6 160.2(3) . . . . ?
C5 C1 C2 C3 0.4(3) . . . . ?
C6 C1 C2 C3 171.4(3) . . . . ?
Sm1 C1 C2 C3 -68.37(18) . . . . ?
C5 C1 C2 C7 -171.0(3) . . . . ?
C6 C1 C2 C7 -0.1(4) . . . . ?
Sm1 C1 C2 C7 120.1(3) . . . . ?
C5 C1 C2 Sm1 68.81(19) . . . . ?
C6 C1 C2 Sm1 -120.3(3) . . . . ?
N1 Sm1 C2 C1 16.41(19) . . . . ?
C42 Sm1 C2 C1 -85.19(19) . . . . ?
C13 Sm1 C2 C1 178.64(17) . . . . ?
C5 Sm1 C2 C1 -36.95(17) . . . . ?
C14 Sm1 C2 C1 164.21(16) . . . . ?
C15 Sm1 C2 C1 125.29(17) . . . . ?
C4 Sm1 C2 C1 -76.32(19) . . . . ?
C12 Sm1 C2 C1 157.07(18) . . . . ?
C11 Sm1 C2 C1 128.52(17) . . . . ?
C3 Sm1 C2 C1 -113.5(2) . . . . ?
N1 Sm1 C2 C3 129.94(17) . . . . ?
C42 Sm1 C2 C3 28.3(2) . . . . ?
C13 Sm1 C2 C3 -67.83(19) . . . . ?
C1 Sm1 C2 C3 113.5(2) . . . . ?
C5 Sm1 C2 C3 76.57(19) . . . . ?
C14 Sm1 C2 C3 -82.3(2) . . . . ?
C15 Sm1 C2 C3 -121.19(17) . . . . ?
C4 Sm1 C2 C3 37.20(17) . . . . ?
C12 Sm1 C2 C3 -89.41(18) . . . . ?
C11 Sm1 C2 C3 -117.96(18) . . . . ?
N1 Sm1 C2 C7 -105.2(3) . . . . ?
C42 Sm1 C2 C7 153.2(3) . . . . ?
C13 Sm1 C2 C7 57.1(3) . . . . ?
C1 Sm1 C2 C7 -121.6(4) . . . . ?
C5 Sm1 C2 C7 -158.5(3) . . . . ?
C14 Sm1 C2 C7 42.6(3) . . . . ?
C15 Sm1 C2 C7 3.7(3) . . . . ?
C4 Sm1 C2 C7 162.1(3) . . . . ?
C12 Sm1 C2 C7 35.5(3) . . . . ?
C11 Sm1 C2 C7 6.9(3) . . . . ?
C3 Sm1 C2 C7 124.9(4) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C7 C2 C3 C4 170.9(3) . . . . ?
Sm1 C2 C3 C4 -67.85(19) . . . . ?
C1 C2 C3 C8 -170.8(3) . . . . ?
C7 C2 C3 C8 0.5(5) . . . . ?
Sm1 C2 C3 C8 121.8(3) . . . . ?
C1 C2 C3 Sm1 67.46(18) . . . . ?
C7 C2 C3 Sm1 -121.3(3) . . . . ?
N1 Sm1 C3 C4 42.8(2) . . . . ?
C42 Sm1 C3 C4 -43.7(2) . . . . ?
C13 Sm1 C3 C4 -128.38(19) . . . . ?
C1 Sm1 C3 C4 76.2(2) . . . . ?
C5 Sm1 C3 C4 36.38(18) . . . . ?
C14 Sm1 C3 C4 -123.43(18) . . . . ?
C15 Sm1 C3 C4 -161.07(17) . . . . ?
C12 Sm1 C3 C4 -157.44(19) . . . . ?
C11 Sm1 C3 C4 -177.68(18) . . . . ?
C2 Sm1 C3 C4 113.3(3) . . . . ?
N1 Sm1 C3 C2 -70.5(2) . . . . ?
C42 Sm1 C3 C2 -156.96(17) . . . . ?
C13 Sm1 C3 C2 118.36(18) . . . . ?
C1 Sm1 C3 C2 -37.01(17) . . . . ?
C5 Sm1 C3 C2 -76.88(19) . . . . ?
C14 Sm1 C3 C2 123.32(17) . . . . ?
C15 Sm1 C3 C2 85.7(2) . . . . ?
C4 Sm1 C3 C2 -113.3(3) . . . . ?
C12 Sm1 C3 C2 89.30(18) . . . . ?
C11 Sm1 C3 C2 69.06(19) . . . . ?
N1 Sm1 C3 C8 163.5(3) . . . . ?
C42 Sm1 C3 C8 77.0(3) . . . . ?
C13 Sm1 C3 C8 -7.6(3) . . . . ?
C1 Sm1 C3 C8 -163.0(3) . . . . ?
C5 Sm1 C3 C8 157.1(3) . . . . ?
C14 Sm1 C3 C8 -2.7(3) . . . . ?
C15 Sm1 C3 C8 -40.3(3) . . . . ?
C4 Sm1 C3 C8 120.7(4) . . . . ?
C12 Sm1 C3 C8 -36.7(3) . . . . ?
C11 Sm1 C3 C8 -56.9(3) . . . . ?
C2 Sm1 C3 C8 -126.0(4) . . . . ?
C2 C3 C4 C5 0.2(3) . . . . ?
C8 C3 C4 C5 171.1(3) . . . . ?
Sm1 C3 C4 C5 -67.9(2) . . . . ?
C2 C3 C4 C9 -172.0(3) . . . . ?
C8 C3 C4 C9 -1.1(5) . . . . ?
Sm1 C3 C4 C9 120.0(3) . . . . ?
C2 C3 C4 Sm1 68.07(19) . . . . ?
C8 C3 C4 Sm1 -121.1(3) . . . . ?
N1 Sm1 C4 C5 -34.63(19) . . . . ?
C42 Sm1 C4 C5 -110.31(19) . . . . ?
C13 Sm1 C4 C5 172.69(17) . . . . ?
C1 Sm1 C4 C5 37.33(17) . . . . ?
C14 Sm1 C4 C5 -163.48(16) . . . . ?
C15 Sm1 C4 C5 163.4(3) . . . . ?
C12 Sm1 C4 C5 139.51(18) . . . . ?
C11 Sm1 C4 C5 117.9(2) . . . . ?
C2 Sm1 C4 C5 77.13(19) . . . . ?
C3 Sm1 C4 C5 114.5(3) . . . . ?
N1 Sm1 C4 C3 -149.09(17) . . . . ?
C42 Sm1 C4 C3 135.2(2) . . . . ?
C13 Sm1 C4 C3 58.2(2) . . . . ?
C1 Sm1 C4 C3 -77.12(19) . . . . ?
C5 Sm1 C4 C3 -114.5(3) . . . . ?
C14 Sm1 C4 C3 82.1(2) . . . . ?
C15 Sm1 C4 C3 49.0(4) . . . . ?
C12 Sm1 C4 C3 25.1(2) . . . . ?
C11 Sm1 C4 C3 3.4(3) . . . . ?
C2 Sm1 C4 C3 -37.32(17) . . . . ?
N1 Sm1 C4 C9 88.0(3) . . . . ?
C42 Sm1 C4 C9 12.3(3) . . . . ?
C13 Sm1 C4 C9 -64.7(3) . . . . ?
C1 Sm1 C4 C9 159.9(4) . . . . ?
C5 Sm1 C4 C9 122.6(4) . . . . ?
C14 Sm1 C4 C9 -40.9(4) . . . . ?
C15 Sm1 C4 C9 -74.0(4) . . . . ?
C12 Sm1 C4 C9 -97.9(3) . . . . ?
C11 Sm1 C4 C9 -119.5(3) . . . . ?
C2 Sm1 C4 C9 -160.3(4) . . . . ?
C3 Sm1 C4 C9 -122.9(4) . . . . ?
C3 C4 C5 C1 0.1(3) . . . . ?
C9 C4 C5 C1 172.2(3) . . . . ?
Sm1 C4 C5 C1 -68.52(19) . . . . ?
C3 C4 C5 C10 -174.4(3) . . . . ?
C9 C4 C5 C10 -2.3(5) . . . . ?
Sm1 C4 C5 C10 117.0(3) . . . . ?
C3 C4 C5 Sm1 68.6(2) . . . . ?
C9 C4 C5 Sm1 -119.3(3) . . . . ?
C2 C1 C5 C4 -0.3(3) . . . . ?
C6 C1 C5 C4 -171.2(3) . . . . ?
Sm1 C1 C5 C4 69.2(2) . . . . ?
C2 C1 C5 C10 174.3(3) . . . . ?
C6 C1 C5 C10 3.5(5) . . . . ?
Sm1 C1 C5 C10 -116.2(3) . . . . ?
C2 C1 C5 Sm1 -69.49(19) . . . . ?
C6 C1 C5 Sm1 119.6(3) . . . . ?
N1 Sm1 C5 C4 147.77(18) . . . . ?
C42 Sm1 C5 C4 65.75(18) . . . . ?
C13 Sm1 C5 C4 -11.1(3) . . . . ?
C1 Sm1 C5 C4 -113.5(3) . . . . ?
C14 Sm1 C5 C4 43.1(4) . . . . ?
C15 Sm1 C5 C4 -159.9(3) . . . . ?
C12 Sm1 C5 C4 -56.6(2) . . . . ?
C11 Sm1 C5 C4 -102.2(2) . . . . ?
C2 Sm1 C5 C4 -76.68(19) . . . . ?
C3 Sm1 C5 C4 -36.77(17) . . . . ?
N1 Sm1 C5 C1 -98.76(18) . . . . ?
C42 Sm1 C5 C1 179.23(19) . . . . ?
C13 Sm1 C5 C1 102.3(2) . . . . ?
C14 Sm1 C5 C1 156.6(3) . . . . ?
C15 Sm1 C5 C1 -46.5(4) . . . . ?
C4 Sm1 C5 C1 113.5(3) . . . . ?
C12 Sm1 C5 C1 56.9(2) . . . . ?
C11 Sm1 C5 C1 11.3(3) . . . . ?
C2 Sm1 C5 C1 36.80(17) . . . . ?
C3 Sm1 C5 C1 76.70(19) . . . . ?
N1 Sm1 C5 C10 22.8(3) . . . . ?
C42 Sm1 C5 C10 -59.2(3) . . . . ?
C13 Sm1 C5 C10 -136.1(3) . . . . ?
C1 Sm1 C5 C10 121.6(4) . . . . ?
C14 Sm1 C5 C10 -81.8(4) . . . . ?
C15 Sm1 C5 C10 75.1(5) . . . . ?
C4 Sm1 C5 C10 -124.9(4) . . . . ?
C12 Sm1 C5 C10 178.5(2) . . . . ?
C11 Sm1 C5 C10 132.9(3) . . . . ?
C2 Sm1 C5 C10 158.4(3) . . . . ?
C3 Sm1 C5 C10 -161.7(3) . . . . ?
N1 Sm1 C11 C15 -51.42(17) . . . . ?
C42 Sm1 C11 C15 39.5(2) . . . . ?
C13 Sm1 C11 C15 76.64(17) . . . . ?
C1 Sm1 C11 C15 -149.34(16) . . . . ?
C5 Sm1 C11 C15 -155.54(17) . . . . ?
C14 Sm1 C11 C15 36.73(15) . . . . ?
C4 Sm1 C11 C15 155.16(16) . . . . ?
C12 Sm1 C11 C15 113.6(2) . . . . ?
C2 Sm1 C11 C15 -174.85(16) . . . . ?
C3 Sm1 C11 C15 156.98(16) . . . . ?
N1 Sm1 C11 C12 -165.02(16) . . . . ?
C42 Sm1 C11 C12 -74.09(19) . . . . ?
C13 Sm1 C11 C12 -36.97(16) . . . . ?
C1 Sm1 C11 C12 97.06(18) . . . . ?
C5 Sm1 C11 C12 90.9(2) . . . . ?
C14 Sm1 C11 C12 -76.87(18) . . . . ?
C15 Sm1 C11 C12 -113.6(2) . . . . ?
C4 Sm1 C11 C12 41.6(2) . . . . ?
C2 Sm1 C11 C12 71.54(18) . . . . ?
C3 Sm1 C11 C12 43.37(19) . . . . ?
N1 Sm1 C11 C16 72.2(3) . . . . ?
C42 Sm1 C11 C16 163.1(2) . . . . ?
C13 Sm1 C11 C16 -159.7(3) . . . . ?
C1 Sm1 C11 C16 -25.7(3) . . . . ?
C5 Sm1 C11 C16 -31.9(3) . . . . ?
C14 Sm1 C11 C16 160.4(3) . . . . ?
C15 Sm1 C11 C16 123.6(3) . . . . ?
C4 Sm1 C11 C16 -81.2(3) . . . . ?
C12 Sm1 C11 C16 -122.8(3) . . . . ?
C2 Sm1 C11 C16 -51.2(3) . . . . ?
C3 Sm1 C11 C16 -79.4(3) . . . . ?
C15 C11 C12 C13 -1.1(3) . . . . ?
C16 C11 C12 C13 -172.3(3) . . . . ?
Sm1 C11 C12 C13 67.2(2) . . . . ?
C15 C11 C12 C17 166.7(3) . . . . ?
C16 C11 C12 C17 -4.5(5) . . . . ?
Sm1 C11 C12 C17 -125.1(3) . . . . ?
C15 C11 C12 Sm1 -68.25(19) . . . . ?
C16 C11 C12 Sm1 120.5(3) . . . . ?
N1 Sm1 C12 C13 -93.63(18) . . . . ?
C42 Sm1 C12 C13 8.52(18) . . . . ?
C1 Sm1 C12 C13 148.68(16) . . . . ?
C5 Sm1 C12 C13 121.14(17) . . . . ?
C14 Sm1 C12 C13 -37.30(15) . . . . ?
C15 Sm1 C12 C13 -77.03(17) . . . . ?
C4 Sm1 C12 C13 93.99(17) . . . . ?
C11 Sm1 C12 C13 -113.9(2) . . . . ?
C2 Sm1 C12 C13 136.30(17) . . . . ?
C3 Sm1 C12 C13 106.21(17) . . . . ?
N1 Sm1 C12 C11 20.3(2) . . . . ?
C42 Sm1 C12 C11 122.41(17) . . . . ?
C13 Sm1 C12 C11 113.9(2) . . . . ?
C1 Sm1 C12 C11 -97.43(18) . . . . ?
C5 Sm1 C12 C11 -124.97(18) . . . . ?
C14 Sm1 C12 C11 76.59(18) . . . . ?
C15 Sm1 C12 C11 36.85(16) . . . . ?
C4 Sm1 C12 C11 -152.12(16) . . . . ?
C2 Sm1 C12 C11 -109.81(18) . . . . ?
C3 Sm1 C12 C11 -139.90(18) . . . . ?
N1 Sm1 C12 C17 143.8(3) . . . . ?
C42 Sm1 C12 C17 -114.1(3) . . . . ?
C13 Sm1 C12 C17 -122.6(4) . . . . ?
C1 Sm1 C12 C17 26.1(3) . . . . ?
C5 Sm1 C12 C17 -1.5(4) . . . . ?
C14 Sm1 C12 C17 -159.9(3) . . . . ?
C15 Sm1 C12 C17 160.4(3) . . . . ?
C4 Sm1 C12 C17 -28.6(3) . . . . ?
C11 Sm1 C12 C17 123.5(4) . . . . ?
C2 Sm1 C12 C17 13.7(3) . . . . ?
C3 Sm1 C12 C17 -16.4(3) . . . . ?
C11 C12 C13 C14 1.4(3) . . . . ?
C17 C12 C13 C14 -166.3(3) . . . . ?
Sm1 C12 C13 C14 69.3(2) . . . . ?
C11 C12 C13 C18 176.4(3) . . . . ?
C17 C12 C13 C18 8.6(5) . . . . ?
Sm1 C12 C13 C18 -115.7(3) . . . . ?
C11 C12 C13 Sm1 -67.91(19) . . . . ?
C17 C12 C13 Sm1 124.3(3) . . . . ?
N1 Sm1 C13 C14 0.0(2) . . . . ?
C42 Sm1 C13 C14 74.55(19) . . . . ?
C1 Sm1 C13 C14 -159.17(16) . . . . ?
C5 Sm1 C13 C14 152.70(17) . . . . ?
C15 Sm1 C13 C14 -36.83(16) . . . . ?
C4 Sm1 C13 C14 146.72(17) . . . . ?
C12 Sm1 C13 C14 -113.3(3) . . . . ?
C11 Sm1 C13 C14 -76.28(19) . . . . ?
C2 Sm1 C13 C14 -160.20(17) . . . . ?
C3 Sm1 C13 C14 172.00(18) . . . . ?
N1 Sm1 C13 C12 113.26(16) . . . . ?
C42 Sm1 C13 C12 -172.17(17) . . . . ?
C1 Sm1 C13 C12 -45.9(2) . . . . ?
C5 Sm1 C13 C12 -94.0(2) . . . . ?
C14 Sm1 C13 C12 113.3(3) . . . . ?
C15 Sm1 C13 C12 76.44(18) . . . . ?
C4 Sm1 C13 C12 -100.01(18) . . . . ?
C11 Sm1 C13 C12 37.00(17) . . . . ?
C2 Sm1 C13 C12 -46.92(18) . . . . ?
C3 Sm1 C13 C12 -74.72(17) . . . . ?
N1 Sm1 C13 C18 -123.3(2) . . . . ?
C42 Sm1 C13 C18 -48.8(2) . . . . ?
C1 Sm1 C13 C18 77.5(3) . . . . ?
C5 Sm1 C13 C18 29.4(3) . . . . ?
C14 Sm1 C13 C18 -123.3(3) . . . . ?
C15 Sm1 C13 C18 -160.2(3) . . . . ?
C4 Sm1 C13 C18 23.4(3) . . . . ?
C12 Sm1 C13 C18 123.4(3) . . . . ?
C11 Sm1 C13 C18 160.4(3) . . . . ?
C2 Sm1 C13 C18 76.5(2) . . . . ?
C3 Sm1 C13 C18 48.7(2) . . . . ?
C12 C13 C14 C15 -1.2(3) . . . . ?
C18 C13 C14 C15 -176.2(3) . . . . ?
Sm1 C13 C14 C15 68.37(19) . . . . ?
C12 C13 C14 C19 172.9(3) . . . . ?
C18 C13 C14 C19 -2.1(5) . . . . ?
Sm1 C13 C14 C19 -117.5(3) . . . . ?
C12 C13 C14 Sm1 -69.6(2) . . . . ?
C18 C13 C14 Sm1 115.4(3) . . . . ?
N1 Sm1 C14 C15 66.11(16) . . . . ?
C42 Sm1 C14 C15 145.74(17) . . . . ?
C13 Sm1 C14 C15 -113.9(2) . . . . ?
C1 Sm1 C14 C15 -56.7(4) . . . . ?
C5 Sm1 C14 C15 169.0(3) . . . . ?
C4 Sm1 C14 C15 -161.33(16) . . . . ?
C12 Sm1 C14 C15 -76.57(17) . . . . ?
C11 Sm1 C14 C15 -36.56(15) . . . . ?
C2 Sm1 C14 C15 -85.95(19) . . . . ?
C3 Sm1 C14 C15 -123.71(16) . . . . ?
N1 Sm1 C14 C13 179.98(18) . . . . ?
C42 Sm1 C14 C13 -100.39(19) . . . . ?
C1 Sm1 C14 C13 57.2(4) . . . . ?
C5 Sm1 C14 C13 -77.1(4) . . . . ?
C15 Sm1 C14 C13 113.9(2) . . . . ?
C4 Sm1 C14 C13 -47.5(2) . . . . ?
C12 Sm1 C14 C13 37.30(18) . . . . ?
C11 Sm1 C14 C13 77.3(2) . . . . ?
C2 Sm1 C14 C13 27.9(2) . . . . ?
C3 Sm1 C14 C13 -9.8(2) . . . . ?
N1 Sm1 C14 C19 -57.6(2) . . . . ?
C42 Sm1 C14 C19 22.0(2) . . . . ?
C13 Sm1 C14 C19 122.4(3) . . . . ?
C1 Sm1 C14 C19 179.6(3) . . . . ?
C5 Sm1 C14 C19 45.3(4) . . . . ?
C15 Sm1 C14 C19 -123.7(3) . . . . ?
C4 Sm1 C14 C19 75.0(3) . . . . ?
C12 Sm1 C14 C19 159.7(3) . . . . ?
C11 Sm1 C14 C19 -160.3(3) . . . . ?
C2 Sm1 C14 C19 150.3(2) . . . . ?
C3 Sm1 C14 C19 112.6(2) . . . . ?
C12 C11 C15 C14 0.3(3) . . . . ?
C16 C11 C15 C14 171.5(3) . . . . ?
Sm1 C11 C15 C14 -67.92(18) . . . . ?
C12 C11 C15 C20 -172.9(3) . . . . ?
C16 C11 C15 C20 -1.7(4) . . . . ?
Sm1 C11 C15 C20 118.9(3) . . . . ?
C12 C11 C15 Sm1 68.22(19) . . . . ?
C16 C11 C15 Sm1 -120.6(3) . . . . ?
C13 C14 C15 C11 0.6(3) . . . . ?
C19 C14 C15 C11 -173.5(3) . . . . ?
Sm1 C14 C15 C11 68.27(19) . . . . ?
C13 C14 C15 C20 173.9(3) . . . . ?
C19 C14 C15 C20 -0.1(4) . . . . ?
Sm1 C14 C15 C20 -118.4(3) . . . . ?
C13 C14 C15 Sm1 -67.7(2) . . . . ?
C19 C14 C15 Sm1 118.2(3) . . . . ?
N1 Sm1 C15 C11 130.77(17) . . . . ?
C42 Sm1 C15 C11 -148.51(16) . . . . ?
C13 Sm1 C15 C11 -77.31(18) . . . . ?
C1 Sm1 C15 C11 44.8(2) . . . . ?
C5 Sm1 C15 C11 78.5(4) . . . . ?
C14 Sm1 C15 C11 -114.4(2) . . . . ?
C4 Sm1 C15 C11 -66.1(3) . . . . ?
C12 Sm1 C15 C11 -37.32(16) . . . . ?
C2 Sm1 C15 C11 6.4(2) . . . . ?
C3 Sm1 C15 C11 -32.6(2) . . . . ?
N1 Sm1 C15 C14 -114.84(16) . . . . ?
C42 Sm1 C15 C14 -34.12(17) . . . . ?
C13 Sm1 C15 C14 37.08(16) . . . . ?
C1 Sm1 C15 C14 159.23(15) . . . . ?
C5 Sm1 C15 C14 -167.2(3) . . . . ?
C4 Sm1 C15 C14 48.3(4) . . . . ?
C12 Sm1 C15 C14 77.07(17) . . . . ?
C11 Sm1 C15 C14 114.4(2) . . . . ?
C2 Sm1 C15 C14 120.82(16) . . . . ?
C3 Sm1 C15 C14 81.83(19) . . . . ?
N1 Sm1 C15 C20 6.9(2) . . . . ?
C42 Sm1 C15 C20 87.6(2) . . . . ?
C13 Sm1 C15 C20 158.8(3) . . . . ?
C1 Sm1 C15 C20 -79.0(3) . . . . ?
C5 Sm1 C15 C20 -45.4(5) . . . . ?
C14 Sm1 C15 C20 121.7(3) . . . . ?
C4 Sm1 C15 C20 170.0(3) . . . . ?
C12 Sm1 C15 C20 -161.2(3) . . . . ?
C11 Sm1 C15 C20 -123.9(3) . . . . ?
C2 Sm1 C15 C20 -117.5(2) . . . . ?
C3 Sm1 C15 C20 -156.4(2) . . . . ?
N3 Sm2 C21 C25 -32.30(19) . . . . ?
C41 Sm2 C21 C25 -106.78(18) . . . . ?
C34 Sm2 C21 C25 122.19(18) . . . . ?
C35 Sm2 C21 C25 171.5(2) . . . . ?
C32 Sm2 C21 C25 172.57(16) . . . . ?
C31 Sm2 C21 C25 -163.63(16) . . . . ?
C22 Sm2 C21 C25 113.3(3) . . . . ?
C24 Sm2 C21 C25 37.26(16) . . . . ?
C33 Sm2 C21 C25 140.41(17) . . . . ?
C23 Sm2 C21 C25 76.51(18) . . . . ?
N3 Sm2 C21 C22 -145.59(16) . . . . ?
C41 Sm2 C21 C22 139.94(19) . . . . ?
C25 Sm2 C21 C22 -113.3(3) . . . . ?
C34 Sm2 C21 C22 8.9(2) . . . . ?
C35 Sm2 C21 C22 58.2(3) . . . . ?
C32 Sm2 C21 C22 59.29(19) . . . . ?
C31 Sm2 C21 C22 83.1(2) . . . . ?
C24 Sm2 C21 C22 -76.02(18) . . . . ?
C33 Sm2 C21 C22 27.13(19) . . . . ?
C23 Sm2 C21 C22 -36.77(16) . . . . ?
N3 Sm2 C21 C26 92.1(3) . . . . ?
C41 Sm2 C21 C26 17.7(2) . . . . ?
C25 Sm2 C21 C26 124.4(3) . . . . ?
C34 Sm2 C21 C26 -113.4(3) . . . . ?
C35 Sm2 C21 C26 -64.1(4) . . . . ?
C32 Sm2 C21 C26 -63.0(3) . . . . ?
C31 Sm2 C21 C26 -39.2(3) . . . . ?
C22 Sm2 C21 C26 -122.3(3) . . . . ?
C24 Sm2 C21 C26 161.7(3) . . . . ?
C33 Sm2 C21 C26 -95.1(3) . . . . ?
C23 Sm2 C21 C26 -159.0(3) . . . . ?
C25 C21 C22 C23 -0.3(3) . . . . ?
C26 C21 C22 C23 -173.1(3) . . . . ?
Sm2 C21 C22 C23 68.65(19) . . . . ?
C25 C21 C22 C27 170.7(3) . . . . ?
C26 C21 C22 C27 -2.1(5) . . . . ?
Sm2 C21 C22 C27 -120.3(3) . . . . ?
C25 C21 C22 Sm2 -69.0(2) . . . . ?
C26 C21 C22 Sm2 118.2(3) . . . . ?
N3 Sm2 C22 C23 -63.7(2) . . . . ?
C41 Sm2 C22 C23 -153.23(16) . . . . ?
C21 Sm2 C22 C23 -113.6(2) . . . . ?
C25 Sm2 C22 C23 -76.43(17) . . . . ?
C34 Sm2 C22 C23 72.46(17) . . . . ?
C35 Sm2 C22 C23 91.34(18) . . . . ?
C32 Sm2 C22 C23 120.34(16) . . . . ?
C31 Sm2 C22 C23 126.70(15) . . . . ?
C24 Sm2 C22 C23 -36.43(15) . . . . ?
C33 Sm2 C22 C23 91.14(16) . . . . ?
N3 Sm2 C22 C21 49.9(2) . . . . ?
C41 Sm2 C22 C21 -39.63(19) . . . . ?
C25 Sm2 C22 C21 37.18(17) . . . . ?
C34 Sm2 C22 C21 -173.94(17) . . . . ?
C35 Sm2 C22 C21 -155.06(16) . . . . ?
C32 Sm2 C22 C21 -126.06(18) . . . . ?
C31 Sm2 C22 C21 -119.69(17) . . . . ?
C24 Sm2 C22 C21 77.18(18) . . . . ?
C33 Sm2 C22 C21 -155.26(18) . . . . ?
C23 Sm2 C22 C21 113.6(2) . . . . ?
N3 Sm2 C22 C27 170.2(2) . . . . ?
C41 Sm2 C22 C27 80.6(3) . . . . ?
C21 Sm2 C22 C27 120.2(3) . . . . ?
C25 Sm2 C22 C27 157.4(3) . . . . ?
C34 Sm2 C22 C27 -53.7(3) . . . . ?
C35 Sm2 C22 C27 -34.8(3) . . . . ?
C32 Sm2 C22 C27 -5.8(3) . . . . ?
C31 Sm2 C22 C27 0.5(3) . . . . ?
C24 Sm2 C22 C27 -162.6(3) . . . . ?
C33 Sm2 C22 C27 -35.0(3) . . . . ?
C23 Sm2 C22 C27 -126.2(3) . . . . ?
C21 C22 C23 C24 0.5(3) . . . . ?
C27 C22 C23 C24 -170.1(3) . . . . ?
Sm2 C22 C23 C24 67.88(19) . . . . ?
C21 C22 C23 C28 171.5(3) . . . . ?
C27 C22 C23 C28 0.9(5) . . . . ?
Sm2 C22 C23 C28 -121.1(3) . . . . ?
C21 C22 C23 Sm2 -67.39(19) . . . . ?
C27 C22 C23 Sm2 122.1(3) . . . . ?
N3 Sm2 C23 C24 21.86(19) . . . . ?
C41 Sm2 C23 C24 -81.03(19) . . . . ?
C21 Sm2 C23 C24 -77.04(18) . . . . ?
C25 Sm2 C23 C24 -37.09(16) . . . . ?
C34 Sm2 C23 C24 130.61(17) . . . . ?
C35 Sm2 C23 C24 129.29(17) . . . . ?
C32 Sm2 C23 C24 -179.01(16) . . . . ?
C31 Sm2 C23 C24 169.62(16) . . . . ?
C22 Sm2 C23 C24 -114.5(2) . . . . ?
C33 Sm2 C23 C24 158.40(17) . . . . ?
N3 Sm2 C23 C22 136.32(15) . . . . ?
C41 Sm2 C23 C22 33.43(19) . . . . ?
C21 Sm2 C23 C22 37.42(16) . . . . ?
C25 Sm2 C23 C22 77.37(17) . . . . ?
C34 Sm2 C23 C22 -114.93(16) . . . . ?
C35 Sm2 C23 C22 -116.26(16) . . . . ?
C32 Sm2 C23 C22 -64.55(17) . . . . ?
C31 Sm2 C23 C22 -75.92(19) . . . . ?
C24 Sm2 C23 C22 114.5(2) . . . . ?
C33 Sm2 C23 C22 -87.14(16) . . . . ?
N3 Sm2 C23 C28 -98.9(2) . . . . ?
C41 Sm2 C23 C28 158.2(2) . . . . ?
C21 Sm2 C23 C28 162.2(3) . . . . ?
C25 Sm2 C23 C28 -157.8(3) . . . . ?
C34 Sm2 C23 C28 9.9(3) . . . . ?
C35 Sm2 C23 C28 8.5(3) . . . . ?
C32 Sm2 C23 C28 60.2(2) . . . . ?
C31 Sm2 C23 C28 48.9(3) . . . . ?
C22 Sm2 C23 C28 124.8(3) . . . . ?
C24 Sm2 C23 C28 -120.8(3) . . . . ?
C33 Sm2 C23 C28 37.6(2) . . . . ?
C22 C23 C24 C25 -0.5(3) . . . . ?
C28 C23 C24 C25 -171.9(2) . . . . ?
Sm2 C23 C24 C25 67.15(19) . . . . ?
C22 C23 C24 C29 169.3(3) . . . . ?
C28 C23 C24 C29 -2.1(4) . . . . ?
Sm2 C23 C24 C29 -123.1(3) . . . . ?
C22 C23 C24 Sm2 -67.63(19) . . . . ?
C28 C23 C24 Sm2 121.0(3) . . . . ?
N3 Sm2 C24 C23 -161.14(17) . . . . ?
C41 Sm2 C24 C23 116.92(17) . . . . ?
C21 Sm2 C24 C23 76.94(18) . . . . ?
C25 Sm2 C24 C23 114.2(2) . . . . ?
C34 Sm2 C24 C23 -57.31(19) . . . . ?
C35 Sm2 C24 C23 -79.2(2) . . . . ?
C32 Sm2 C24 C23 1.4(2) . . . . ?
C31 Sm2 C24 C23 -27.5(4) . . . . ?
C22 Sm2 C24 C23 36.68(16) . . . . ?
C33 Sm2 C24 C23 -23.88(19) . . . . ?
N3 Sm2 C24 C25 84.69(16) . . . . ?
C41 Sm2 C24 C25 2.76(18) . . . . ?
C21 Sm2 C24 C25 -37.22(16) . . . . ?
C34 Sm2 C24 C25 -171.47(15) . . . . ?
C35 Sm2 C24 C25 166.66(15) . . . . ?
C32 Sm2 C24 C25 -112.77(17) . . . . ?
C31 Sm2 C24 C25 -141.7(3) . . . . ?
C22 Sm2 C24 C25 -77.49(18) . . . . ?
C33 Sm2 C24 C25 -138.04(16) . . . . ?
C23 Sm2 C24 C25 -114.2(2) . . . . ?
N3 Sm2 C24 C29 -38.4(3) . . . . ?
C41 Sm2 C24 C29 -120.3(3) . . . . ?
C21 Sm2 C24 C29 -160.3(3) . . . . ?
C25 Sm2 C24 C29 -123.1(3) . . . . ?
C34 Sm2 C24 C29 65.4(3) . . . . ?
C35 Sm2 C24 C29 43.6(3) . . . . ?
C32 Sm2 C24 C29 124.1(3) . . . . ?
C31 Sm2 C24 C29 95.2(4) . . . . ?
C22 Sm2 C24 C29 159.4(3) . . . . ?
C33 Sm2 C24 C29 98.9(3) . . . . ?
C23 Sm2 C24 C29 122.7(3) . . . . ?
C22 C21 C25 C24 0.0(3) . . . . ?
C26 C21 C25 C24 172.6(3) . . . . ?
Sm2 C21 C25 C24 -69.45(19) . . . . ?
C22 C21 C25 C30 -176.0(3) . . . . ?
C26 C21 C25 C30 -3.4(5) . . . . ?
Sm2 C21 C25 C30 114.6(3) . . . . ?
C22 C21 C25 Sm2 69.47(19) . . . . ?
C26 C21 C25 Sm2 -117.9(3) . . . . ?
C23 C24 C25 C21 0.3(3) . . . . ?
C29 C24 C25 C21 -169.3(3) . . . . ?
Sm2 C24 C25 C21 68.5(2) . . . . ?
C23 C24 C25 C30 176.4(3) . . . . ?
C29 C24 C25 C30 6.8(5) . . . . ?
Sm2 C24 C25 C30 -115.4(3) . . . . ?
C23 C24 C25 Sm2 -68.26(19) . . . . ?
C29 C24 C25 Sm2 122.2(3) . . . . ?
N3 Sm2 C25 C21 151.06(17) . . . . ?
C41 Sm2 C25 C21 69.09(18) . . . . ?
C34 Sm2 C25 C21 -99.5(2) . . . . ?
C35 Sm2 C25 C21 -163.8(4) . . . . ?
C32 Sm2 C25 C21 -10.9(2) . . . . ?
C31 Sm2 C25 C21 37.3(3) . . . . ?
C22 Sm2 C25 C21 -37.44(17) . . . . ?
C24 Sm2 C25 C21 -113.4(2) . . . . ?
C33 Sm2 C25 C21 -55.0(2) . . . . ?
C23 Sm2 C25 C21 -76.95(18) . . . . ?
N3 Sm2 C25 C24 -95.58(16) . . . . ?
C41 Sm2 C25 C24 -177.54(16) . . . . ?
C21 Sm2 C25 C24 113.4(2) . . . . ?
C34 Sm2 C25 C24 13.9(2) . . . . ?
C35 Sm2 C25 C24 -50.4(5) . . . . ?
C32 Sm2 C25 C24 102.50(19) . . . . ?
C31 Sm2 C25 C24 150.6(2) . . . . ?
C22 Sm2 C25 C24 75.93(17) . . . . ?
C33 Sm2 C25 C24 58.4(2) . . . . ?
C23 Sm2 C25 C24 36.42(15) . . . . ?
N3 Sm2 C25 C30 27.0(3) . . . . ?
C41 Sm2 C25 C30 -55.0(3) . . . . ?
C21 Sm2 C25 C30 -124.1(3) . . . . ?
C34 Sm2 C25 C30 136.4(2) . . . . ?
C35 Sm2 C25 C30 72.1(6) . . . . ?
C32 Sm2 C25 C30 -135.0(2) . . . . ?
C31 Sm2 C25 C30 -86.8(3) . . . . ?
C22 Sm2 C25 C30 -161.5(3) . . . . ?
C24 Sm2 C25 C30 122.5(3) . . . . ?
C33 Sm2 C25 C30 -179.1(2) . . . . ?
C23 Sm2 C25 C30 159.0(3) . . . . ?
N3 Sm2 C31 C32 174.19(16) . . . . ?
C41 Sm2 C31 C32 -106.48(17) . . . . ?
C21 Sm2 C31 C32 -49.3(2) . . . . ?
C25 Sm2 C31 C32 -73.6(3) . . . . ?
C34 Sm2 C31 C32 76.76(18) . . . . ?
C35 Sm2 C31 C32 113.9(2) . . . . ?
C22 Sm2 C31 C32 -12.8(2) . . . . ?
C24 Sm2 C31 C32 41.3(4) . . . . ?
C33 Sm2 C31 C32 36.92(16) . . . . ?
C23 Sm2 C31 C32 22.1(2) . . . . ?
N3 Sm2 C31 C35 60.29(17) . . . . ?
C41 Sm2 C31 C35 139.61(18) . . . . ?
C21 Sm2 C31 C35 -163.19(16) . . . . ?
C25 Sm2 C31 C35 172.5(2) . . . . ?
C34 Sm2 C31 C35 -37.14(16) . . . . ?
C32 Sm2 C31 C35 -113.9(2) . . . . ?
C22 Sm2 C31 C35 -126.70(17) . . . . ?
C24 Sm2 C31 C35 -72.6(4) . . . . ?
C33 Sm2 C31 C35 -76.98(18) . . . . ?
C23 Sm2 C31 C35 -91.78(19) . . . . ?
N3 Sm2 C31 C36 -62.5(2) . . . . ?
C41 Sm2 C31 C36 16.8(2) . . . . ?
C21 Sm2 C31 C36 74.0(3) . . . . ?
C25 Sm2 C31 C36 49.7(4) . . . . ?
C34 Sm2 C31 C36 -160.0(3) . . . . ?
C35 Sm2 C31 C36 -122.8(3) . . . . ?
C32 Sm2 C31 C36 123.3(3) . . . . ?
C22 Sm2 C31 C36 110.5(2) . . . . ?
C24 Sm2 C31 C36 164.6(3) . . . . ?
C33 Sm2 C31 C36 160.2(3) . . . . ?
C23 Sm2 C31 C36 145.4(2) . . . . ?
C35 C31 C32 C33 -1.0(3) . . . . ?
C36 C31 C32 C33 170.4(3) . . . . ?
Sm2 C31 C32 C33 -69.21(18) . . . . ?
C35 C31 C32 C37 -176.2(3) . . . . ?
C36 C31 C32 C37 -4.8(4) . . . . ?
Sm2 C31 C32 C37 115.6(3) . . . . ?
C35 C31 C32 Sm2 68.19(18) . . . . ?
C36 C31 C32 Sm2 -120.4(3) . . . . ?
N3 Sm2 C32 C31 -7.4(2) . . . . ?
C41 Sm2 C32 C31 68.91(17) . . . . ?
C21 Sm2 C32 C31 143.45(16) . . . . ?
C25 Sm2 C32 C31 149.23(16) . . . . ?
C34 Sm2 C32 C31 -76.93(17) . . . . ?
C35 Sm2 C32 C31 -37.05(16) . . . . ?
C22 Sm2 C32 C31 169.22(17) . . . . ?
C24 Sm2 C32 C31 -164.76(16) . . . . ?
C33 Sm2 C32 C31 -113.9(2) . . . . ?
C23 Sm2 C32 C31 -164.04(16) . . . . ?
N3 Sm2 C32 C33 106.55(17) . . . . ?
C41 Sm2 C32 C33 -177.19(17) . . . . ?
C21 Sm2 C32 C33 -102.65(17) . . . . ?
C25 Sm2 C32 C33 -96.87(19) . . . . ?
C34 Sm2 C32 C33 36.97(15) . . . . ?
C35 Sm2 C32 C33 76.86(17) . . . . ?
C31 Sm2 C32 C33 113.9(2) . . . . ?
C22 Sm2 C32 C33 -76.88(17) . . . . ?
C24 Sm2 C32 C33 -50.9(2) . . . . ?
C23 Sm2 C32 C33 -50.14(17) . . . . ?
N3 Sm2 C32 C37 -129.9(2) . . . . ?
C41 Sm2 C32 C37 -53.6(2) . . . . ?
C21 Sm2 C32 C37 20.9(2) . . . . ?
C25 Sm2 C32 C37 26.7(3) . . . . ?
C34 Sm2 C32 C37 160.5(3) . . . . ?
C35 Sm2 C32 C37 -159.6(3) . . . . ?
C31 Sm2 C32 C37 -122.5(3) . . . . ?
C22 Sm2 C32 C37 46.7(2) . . . . ?
C24 Sm2 C32 C37 72.7(3) . . . . ?
C33 Sm2 C32 C37 123.5(3) . . . . ?
C23 Sm2 C32 C37 73.4(2) . . . . ?
C31 C32 C33 C34 1.5(3) . . . . ?
C37 C32 C33 C34 176.7(3) . . . . ?
Sm2 C32 C33 C34 -67.09(18) . . . . ?
C31 C32 C33 C38 -166.8(3) . . . . ?
C37 C32 C33 C38 8.3(4) . . . . ?
Sm2 C32 C33 C38 124.6(3) . . . . ?
C31 C32 C33 Sm2 68.61(18) . . . . ?
C37 C32 C33 Sm2 -116.2(3) . . . . ?
N3 Sm2 C33 C32 -99.09(17) . . . . ?
C41 Sm2 C33 C32 3.11(19) . . . . ?
C21 Sm2 C33 C32 89.63(17) . . . . ?
C25 Sm2 C33 C32 116.29(17) . . . . ?
C34 Sm2 C33 C32 -113.9(2) . . . . ?
C35 Sm2 C33 C32 -76.85(17) . . . . ?
C31 Sm2 C33 C32 -36.91(15) . . . . ?
C22 Sm2 C33 C32 102.97(17) . . . . ?
C24 Sm2 C33 C32 144.39(16) . . . . ?
C23 Sm2 C33 C32 132.83(17) . . . . ?
N3 Sm2 C33 C34 14.8(2) . . . . ?
C41 Sm2 C33 C34 117.04(16) . . . . ?
C21 Sm2 C33 C34 -156.45(16) . . . . ?
C25 Sm2 C33 C34 -129.79(16) . . . . ?
C35 Sm2 C33 C34 37.07(15) . . . . ?
C32 Sm2 C33 C34 113.9(2) . . . . ?
C31 Sm2 C33 C34 77.02(17) . . . . ?
C22 Sm2 C33 C34 -143.11(17) . . . . ?
C24 Sm2 C33 C34 -101.68(17) . . . . ?
C23 Sm2 C33 C34 -113.24(16) . . . . ?
N3 Sm2 C33 C38 136.3(2) . . . . ?
C41 Sm2 C33 C38 -121.5(3) . . . . ?
C21 Sm2 C33 C38 -35.0(3) . . . . ?
C25 Sm2 C33 C38 -8.4(3) . . . . ?
C34 Sm2 C33 C38 121.4(3) . . . . ?
C35 Sm2 C33 C38 158.5(3) . . . . ?
C32 Sm2 C33 C38 -124.6(3) . . . . ?
C31 Sm2 C33 C38 -161.5(3) . . . . ?
C22 Sm2 C33 C38 -21.7(3) . . . . ?
C24 Sm2 C33 C38 19.8(3) . . . . ?
C23 Sm2 C33 C38 8.2(3) . . . . ?
C32 C33 C34 C35 -1.5(3) . . . . ?
C38 C33 C34 C35 167.3(3) . . . . ?
Sm2 C33 C34 C35 -68.59(19) . . . . ?
C32 C33 C34 C39 -174.0(3) . . . . ?
C38 C33 C34 C39 -5.3(4) . . . . ?
Sm2 C33 C34 C39 118.9(3) . . . . ?
C32 C33 C34 Sm2 67.14(18) . . . . ?
C38 C33 C34 Sm2 -124.2(3) . . . . ?
N3 Sm2 C34 C35 -54.86(17) . . . . ?
C41 Sm2 C34 C35 33.3(2) . . . . ?
C21 Sm2 C34 C35 148.57(16) . . . . ?
C25 Sm2 C34 C35 -160.81(15) . . . . ?
C32 Sm2 C34 C35 76.86(17) . . . . ?
C31 Sm2 C34 C35 37.18(15) . . . . ?
C22 Sm2 C34 C35 153.34(16) . . . . ?
C24 Sm2 C34 C35 -153.02(15) . . . . ?
C33 Sm2 C34 C35 113.7(2) . . . . ?
C23 Sm2 C34 C35 -177.95(16) . . . . ?
N3 Sm2 C34 C33 -168.58(16) . . . . ?
C41 Sm2 C34 C33 -80.42(18) . . . . ?
C21 Sm2 C34 C33 34.8(2) . . . . ?
C25 Sm2 C34 C33 85.5(2) . . . . ?
C35 Sm2 C34 C33 -113.7(2) . . . . ?
C32 Sm2 C34 C33 -36.86(16) . . . . ?
C31 Sm2 C34 C33 -76.54(17) . . . . ?
C22 Sm2 C34 C33 39.62(18) . . . . ?
C24 Sm2 C34 C33 93.26(17) . . . . ?
C23 Sm2 C34 C33 68.33(17) . . . . ?
N3 Sm2 C34 C39 69.2(2) . . . . ?
C41 Sm2 C34 C39 157.4(2) . . . . ?
C21 Sm2 C34 C39 -87.4(3) . . . . ?
C25 Sm2 C34 C39 -36.8(3) . . . . ?
C35 Sm2 C34 C39 124.1(3) . . . . ?
C32 Sm2 C34 C39 -159.1(3) . . . . ?
C31 Sm2 C34 C39 161.2(3) . . . . ?
C22 Sm2 C34 C39 -82.6(2) . . . . ?
C24 Sm2 C34 C39 -29.0(3) . . . . ?
C33 Sm2 C34 C39 -122.2(3) . . . . ?
C23 Sm2 C34 C39 -53.9(2) . . . . ?
C33 C34 C35 C31 0.8(3) . . . . ?
C39 C34 C35 C31 173.2(3) . . . . ?
Sm2 C34 C35 C31 -68.39(18) . . . . ?
C33 C34 C35 C40 -172.0(3) . . . . ?
C39 C34 C35 C40 0.3(5) . . . . ?
Sm2 C34 C35 C40 118.7(3) . . . . ?
C33 C34 C35 Sm2 69.23(18) . . . . ?
C39 C34 C35 Sm2 -118.4(3) . . . . ?
C32 C31 C35 C34 0.1(3) . . . . ?
C36 C31 C35 C34 -171.3(3) . . . . ?
Sm2 C31 C35 C34 68.37(19) . . . . ?
C32 C31 C35 C40 173.2(3) . . . . ?
C36 C31 C35 C40 1.8(4) . . . . ?
Sm2 C31 C35 C40 -118.5(3) . . . . ?
C32 C31 C35 Sm2 -68.26(18) . . . . ?
C36 C31 C35 Sm2 120.3(3) . . . . ?
N3 Sm2 C35 C34 126.21(17) . . . . ?
C41 Sm2 C35 C34 -153.11(17) . . . . ?
C21 Sm2 C35 C34 -75.3(3) . . . . ?
C25 Sm2 C35 C34 80.7(5) . . . . ?
C32 Sm2 C35 C34 -76.69(18) . . . . ?
C31 Sm2 C35 C34 -113.5(2) . . . . ?
C22 Sm2 C35 C34 -37.3(2) . . . . ?
C24 Sm2 C35 C34 41.4(2) . . . . ?
C33 Sm2 C35 C34 -37.01(16) . . . . ?
C23 Sm2 C35 C34 2.6(2) . . . . ?
N3 Sm2 C35 C31 -120.27(17) . . . . ?
C41 Sm2 C35 C31 -39.59(17) . . . . ?
C21 Sm2 C35 C31 38.2(3) . . . . ?
C25 Sm2 C35 C31 -165.8(4) . . . . ?
C34 Sm2 C35 C31 113.5(2) . . . . ?
C32 Sm2 C35 C31 36.82(16) . . . . ?
C22 Sm2 C35 C31 76.2(2) . . . . ?
C24 Sm2 C35 C31 154.90(15) . . . . ?
C33 Sm2 C35 C31 76.51(17) . . . . ?
C23 Sm2 C35 C31 116.13(17) . . . . ?
N3 Sm2 C35 C40 1.5(2) . . . . ?
C41 Sm2 C35 C40 82.2(2) . . . . ?
C21 Sm2 C35 C40 160.0(2) . . . . ?
C25 Sm2 C35 C40 -44.0(6) . . . . ?
C34 Sm2 C35 C40 -124.7(3) . . . . ?
C32 Sm2 C35 C40 158.6(3) . . . . ?
C31 Sm2 C35 C40 121.8(3) . . . . ?
C22 Sm2 C35 C40 -161.9(2) . . . . ?
C24 Sm2 C35 C40 -83.3(3) . . . . ?
C33 Sm2 C35 C40 -161.7(3) . . . . ?
C23 Sm2 C35 C40 -122.1(2) . . . . ?
N1 N2 C41 Sm2 -10(7) . . . . ?
N3 Sm2 C41 N2 21.6(8) . . . . ?
C21 Sm2 C41 N2 139.8(8) . . . . ?
C25 Sm2 C41 N2 111.1(8) . . . . ?
C34 Sm2 C41 N2 -76.7(8) . . . . ?
C35 Sm2 C41 N2 -60.4(8) . . . . ?
C32 Sm2 C41 N2 -108.4(8) . . . . ?
C31 Sm2 C41 N2 -79.7(8) . . . . ?
C22 Sm2 C41 N2 159.1(8) . . . . ?
C24 Sm2 C41 N2 109.7(8) . . . . ?
C33 Sm2 C41 N2 -110.0(8) . . . . ?
C23 Sm2 C41 N2 142.9(7) . . . . ?
N3 N4 C42 Sm1 34(11) . . . . ?
N1 Sm1 C42 N4 -0.6(8) . . . . ?
C13 Sm1 C42 N4 -130.9(8) . . . . ?
C1 Sm1 C42 N4 85.8(8) . . . . ?
C5 Sm1 C42 N4 85.3(8) . . . . ?
C14 Sm1 C42 N4 -101.1(8) . . . . ?
C15 Sm1 C42 N4 -84.4(8) . . . . ?
C4 Sm1 C42 N4 113.0(9) . . . . ?
C12 Sm1 C42 N4 -135.2(8) . . . . ?
C11 Sm1 C42 N4 -103.3(8) . . . . ?
C2 Sm1 C42 N4 119.9(8) . . . . ?
C3 Sm1 C42 N4 133.8(8) . . . . ?
C54 C49 C50 C51 -1.6(6) . . . . ?
C49 C50 C51 C52 1.0(6) . . . . ?
C50 C51 C52 C53 -0.2(5) . . . . ?
C51 C52 C53 C54 0.0(5) . . . . ?
C50 C49 C54 C53 1.4(6) . . . . ?
C52 C53 C54 C49 -0.6(6) . . . . ?
C60 C55 C56 C57 2.1(7) . . . . ?
C55 C56 C57 C58 -0.3(6) . . . . ?
C56 C57 C58 C59 -1.1(5) . . . . ?
C57 C58 C59 C60 0.8(5) . . . . ?
C56 C55 C60 C59 -2.4(6) . . . . ?
C58 C59 C60 C55 1.0(6) . . . . ?
