# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

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

data_(TBA)2W6I14
_database_code_depnum_ccdc_archive 'CCDC 1063061'
_audit_update_record             
;
2015-05-04 deposited with the CCDC.
2016-09-05 downloaded from the CCDC.
;

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

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         'C32 H72 N2, I24 W6'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'C16 H36 I7 N W3'
_chemical_formula_weight         3122.23
_chemical_melting_point          ?
_chemical_compound_source        ? # for minerals and 
# natural products

loop_
_atom_type_symbol
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
w 29.08180 1.72029 15.43000 9.22590 14.43270 0.32170 5.11982 57.05600 9.88750
-6.04800 5.57700
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
i 20.14720 4.34700 18.99490 0.38140 7.51380 27.76600 2.27350 66.87760 4.07120
-0.57900 6.83500
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
n 12.21260 0.00570 3.13220 9.89330 2.01250 28.99750 1.16630 0.58260 -11.52900
0.02900 0.01800
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
c 2.31000 20.84390 1.02000 10.20750 1.58860 0.56870 0.86500 51.65120 0.21560
0.01700 0.00900
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5
h 0.49300 10.51090 0.32291 26.12570 0.14019 3.14236 0.04081 57.79970 0.00304
0.00000 0.00000
International_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5

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

# 6. POWDER SPECIMEN AND CRYSTAL DATA

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz #<--must include 'x,y,z'
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x+1/2,-y+1/2,z+1/2

_cell_length_a                   11.5768(2)
_cell_length_b                   11.4916(3)
_cell_length_c                   24.5672(5)
_cell_angle_alpha                90.00000
_cell_angle_beta                 96.776(2)
_cell_angle_gamma                90.00000
_cell_volume                     3245.5(1)
_cell_formula_units_Z            2
_cell_measurement_temperature    298
_cell_special_details            
; ?
;
# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial              ? # perpendicular to 
# equatorial plane
_pd_spec_size_equat              ? # parallel to 
# scattering vector
# in transmission
_pd_spec_size_thick              ? # parallel to 
# scattering vector
# in reflection

# The next five fields are character fields that describe the specimen.

_pd_spec_mounting                
# This field should be
# used to give details of the 
# container.
; ?
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   flat_sheet
_pd_char_particle_morphology     ?
_pd_char_colour                  orange

# The following three fields describe the preparation of the specimen.
# The cooling rate is in K/min.  The pressure at which the sample was 
# prepared is in kPa.  The temperature of preparation is in K.        

_pd_prep_cool_rate               ?
_pd_prep_pressure                ?
_pd_prep_temperature             ?

# The next four fields are normally only needed for transmission experiments.

_exptl_absorpt_coefficient_mu    70.649
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?

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

# 7. EXPERIMENTAL DATA

_exptl_special_details           
; ?
;

# The following item is used to identify the equipment used to record 
# the powder pattern when the diffractogram was measured at a laboratory 
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_ambient_temperature      298
_diffrn_source                   'X-ray tube'
_diffrn_radiation_wavelength     1.54060
_diffrn_radiation_type           'Cu Kalpha1'
_diffrn_source_target            Cu

_diffrn_radiation_monochromator  Germanium
_diffrn_measurement_device_type  StadIP
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ? # Not in version 2.0.1
_diffrn_detector                 ?
_diffrn_detector_type            ? # make or model of detector
_pd_meas_scan_method             step

_pd_meas_special_details         
;  ?
;

#  The following four items give details of the measured (not processed)
#  powder pattern.  Angles are in degrees.

_pd_meas_number_of_points        6468
_pd_meas_2theta_range_min        3.00000
_pd_meas_2theta_range_max        100.00000
_pd_meas_2theta_range_inc        0.015000

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

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

# Use the next field to give any special details about the fitting of the
# powder pattern.

_pd_proc_ls_special_details      
; ?
;

# The next three items are given as text.

_pd_proc_ls_profile_function     5
_pd_proc_ls_background_function  manual
_pd_proc_ls_pref_orient_corr     
; ?
;

#  The following profile R-factors are NOT CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These are the current CIF standard

_pd_proc_ls_prof_R_factor        4.7759
_pd_proc_ls_prof_wR_factor       6.3352
_pd_proc_ls_prof_wR_expected     6.2110

#  The following profile R-factors are CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These items are not in the current CIF standard, but are defined above

_pd_proc_ls_prof_cR_factor       14.0416
_pd_proc_ls_prof_cwR_factor      13.3212
_pd_proc_ls_prof_cwR_expected    13.0599

#  The following items are not in the CIF standard, but are defined above

_pd_proc_ls_prof_chi2            1.0404
_pd_proc_ls_prof_echi2           1.0513
_refine_ls_goodness_of_fit_all   1.02

#  Items related to LS refinement

_refine_ls_R_I_factor            6.1870
_refine_ls_number_reflns         3475
_refine_ls_number_parameters     105
_refine_ls_number_restraints     53

# The following four items apply to angular dispersive measurements.
# 2theta minimum, maximum and increment (in degrees) are for the 
# intensities used in the refinement.

_pd_proc_2theta_range_min        3.0000
_pd_proc_2theta_range_max        100.0000
_pd_proc_2theta_range_inc        0.015000
_pd_proc_wavelength              1.540598
_refine_ls_shift/su_max          0.00

_pd_block_diffractogram_id       ? # The id used for the block containing
# the powder pattern profile (section 11)

# Give appropriate details in the next two text fields.

_pd_proc_info_excluded_regions   ?
_pd_proc_info_data_reduction     ?

# The following items are used to identify the programs used.

_computing_data_collection       ?
_computing_structure_solution    ?
_computing_structure_refinement  FULLPROF
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type # Not in version 2.0.1
_atom_site_type_symbol
W1 0.4440(4) 0.0664(4) 0.56453(18) 0.0558(4) 1.00000 Uiso W
W2 0.6496(4) 0.0665(4) 0.5169(2) 0.0529(4) 1.00000 Uiso W
W3 0.4448(4) 0.1243(3) 0.4603(2) 0.0545(4) 1.00000 Uiso W
I1 0.6480(5) 0.0036(6) 0.6280(2) 0.0946(6) 1.00000 Uiso I
I2 0.5414(6) 0.2727(4) 0.5442(3) 0.0763(6) 1.00000 Uiso I
I3 0.2407(6) 0.1358(7) 0.5057(3) 0.0827(6) 1.00000 Uiso I
I4 0.3463(5) 0.8459(6) 0.5906(2) 0.0575(5) 1.00000 Uiso I
I5 0.3565(5) 0.1574(6) 0.6614(2) 0.0939(6) 1.00000 Uiso I
I6 0.8723(6) 0.1529(6) 0.5461(2) 0.1085(6) 1.00000 Uiso I
I7 0.3772(6) 0.3259(6) 0.3930(3) 0.1359(7) 1.00000 Uiso I
N1 0.49052(8) 0.97433(8) 0.82997(3) 0.0725(13) 1.00000 Uiso N
C1 0.42405(7) 0.91814(8) 0.78936(3) 0.0725(13) 1.00000 Uiso C
H1 0.44400 0.92786 0.75164 0.0725(13) 1.00000 Uiso H
H2 0.33904 0.91568 0.78582 0.0725(13) 1.00000 Uiso H
C2 0.44472(8) 0.79247(7) 0.79575(4) 0.0725(13) 1.00000 Uiso C
H3 0.40898 0.74111 0.82231 0.0725(13) 1.00000 Uiso H
H4 0.52512 0.75591 0.79593 0.0725(13) 1.00000 Uiso H
C3 0.39323(8) 0.72942(8) 0.74553(3) 0.0725(13) 1.00000 Uiso C
H5 0.30422 0.72572 0.73468 0.0725(13) 1.00000 Uiso H
H6 0.41906 0.74333 0.70779 0.0725(13) 1.00000 Uiso H
C4 0.40370(8) 0.59936(7) 0.74116(4) 0.0725(13) 1.00000 Uiso C
H7 0.37087 0.54723 0.70736 0.0725(13) 1.00000 Uiso H
H8 0.37406 0.54864 0.77127 0.0725(13) 1.00000 Uiso H
H9 0.48910 0.56624 0.74448 0.0725(13) 1.00000 Uiso H
C5 0.60509(7) 0.94961(8) 0.83697(4) 0.0725(13) 1.00000 Uiso C
H10 0.65124 0.00302 0.86400 0.0725(13) 1.00000 Uiso H
H11 0.62510 0.87111 0.85021 0.0725(13) 1.00000 Uiso H
C6 0.66466(8) 0.96549(8) 0.78852(4) 0.0725(13) 1.00000 Uiso C
H12 0.67678 0.04548 0.77665 0.0725(13) 1.00000 Uiso H
H13 0.62290 0.92595 0.75525 0.0725(13) 1.00000 Uiso H
C7 0.78198(7) 0.91687(8) 0.78768(4) 0.0725(13) 1.00000 Uiso C
H14 0.83154 0.94607 0.75858 0.0725(13) 1.00000 Uiso H
H15 0.83623 0.93108 0.82208 0.0725(13) 1.00000 Uiso H
C8 0.79759(8) 0.80274(7) 0.78174(4) 0.0725(13) 1.00000 Uiso C
H16 0.87484 0.76285 0.78257 0.0725(13) 1.00000 Uiso H
H17 0.75391 0.76677 0.74655 0.0725(13) 1.00000 Uiso H
H18 0.76010 0.75178 0.81015 0.0725(13) 1.00000 Uiso H
C9 0.46647(8) 0.94486(8) 0.88080(3) 0.0725(13) 1.00000 Uiso C
H19 0.45029 0.86588 0.89343 0.0725(13) 1.00000 Uiso H
H20 0.49499 0.98913 0.91483 0.0725(13) 1.00000 Uiso H
C10 0.34333(7) 0.98464(8) 0.87947(3) 0.0725(13) 1.00000 Uiso C
H21 0.26810 0.94003 0.86676 0.0725(13) 1.00000 Uiso H
H22 0.31150 0.06852 0.88146 0.0725(13) 1.00000 Uiso H
C11 0.32321(10) 0.96165(9) 0.93849(3) 0.0725(13) 1.00000 Uiso C
H23 0.30701 0.88107 0.95684 0.0725(13) 1.00000 Uiso H
H24 0.37286 0.99638 0.97316 0.0725(13) 1.00000 Uiso H
C12 0.25196(8) 0.98757(8) 0.96765(3) 0.0725(13) 1.00000 Uiso C
H25 0.24755 0.96609 1.00893 0.0725(13) 1.00000 Uiso H
H26 0.16503 0.96086 0.95356 0.0725(13) 1.00000 Uiso H
H27 0.23248 0.07687 0.97087 0.0725(13) 1.00000 Uiso H
C13 0.45686(8) 0.08037(7) 0.81064(4) 0.0725(13) 1.00000 Uiso C
H28 0.49389 0.11651 0.78073 0.0725(13) 1.00000 Uiso H
H29 0.37795 0.11289 0.80722 0.0725(13) 1.00000 Uiso H
C14 0.50521(8) 0.16872(8) 0.85083(4) 0.0725(13) 1.00000 Uiso C
H30 0.59008 0.19821 0.85588 0.0725(13) 1.00000 Uiso H
H31 0.48561 0.17588 0.89006 0.0725(13) 1.00000 Uiso H
C15 0.45641(8) 0.28635(7) 0.83457(4) 0.0725(13) 1.00000 Uiso C
H32 0.47444 0.32811 0.79839 0.0725(13) 1.00000 Uiso H
H33 0.36887 0.30436 0.83127 0.0725(13) 1.00000 Uiso H
C16 0.48221(8) 0.39744(7) 0.86660(4) 0.0725(13) 1.00000 Uiso C
H34 0.45269 0.47994 0.85649 0.0725(13) 1.00000 Uiso H
H35 0.57202 0.41766 0.87384 0.0725(13) 1.00000 Uiso H
H36 0.46625 0.39411 0.90672 0.0725(13) 1.00000 Uiso H

# Note: if the displacement parameters were refined anisotropically
# the U matrices should be given as for single-crystal studies.

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

# 10. DISTANCES AND ANGLES / MOLECULAR GEOMETRY 

_geom_special_details            ?

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
W1 W2 2.773(7) 1_555 ?
W1 W2 2.645(6) 3_656 ?
W1 W3 2.647(7) 1_555 ?
W1 W3 2.649(6) 3_656 ?
W1 I1 2.768(7) 1_555 ?
W1 I2 2.697(7) 1_555 ?
W1 I3 2.732(8) 1_555 ?
W1 I4 2.878(8) 1_545 ?
W1 I5 2.890(7) 1_555 ?
W2 W1 2.773(7) 1_555 ?
W2 W1 2.645(6) 3_656 ?
W2 W3 2.687(6) 1_555 ?
W2 W3 2.542(6) 3_656 ?
W2 I1 2.826(7) 1_555 ?
W2 I2 2.799(7) 1_555 ?
W2 I3 2.737(9) 3_656 ?
W2 I4 2.832(7) 3_666 ?
W2 I6 2.777(8) 1_555 ?
W3 W1 2.647(7) 1_555 ?
W3 W1 2.649(6) 3_656 ?
W3 W2 2.687(6) 1_555 ?
W3 W2 2.542(6) 3_656 ?
W3 I1 2.733(7) 3_656 ?
W3 I2 2.804(7) 1_555 ?
W3 I3 2.732(9) 1_555 ?
W3 I4 2.871(8) 3_666 ?
W3 I7 2.900(8) 1_555 ?
I1 W1 2.768(7) 1_555 ?
I1 W2 2.826(7) 1_555 ?
I1 W3 2.733(7) 3_656 ?
I2 W1 2.697(7) 1_555 ?
I2 W2 2.799(7) 1_555 ?
I2 W3 2.804(7) 1_555 ?
I3 W1 2.732(8) 1_555 ?
I3 W2 2.737(9) 3_656 ?
I3 W3 2.732(9) 1_555 ?
I4 W1 2.878(8) 1_565 ?
I4 W2 2.832(7) 3_666 ?
I4 W3 2.871(8) 3_666 ?
I5 W1 2.890(7) 1_555 ?
I6 W2 2.777(8) 1_555 ?
I7 W3 2.900(8) 1_555 ?
N1 C1 1.3503(11) 1_555 ?
N1 H1 2.0084(7) 1_555 ?
N1 H2 2.0633(8) 1_555 ?
N1 C2 2.2913(12) 1_555 ?
N1 H3 2.8403(9) 1_555 ?
N1 H4 2.6905(9) 1_555 ?
N1 C5 1.3475(12) 1_555 ?
N1 H10 1.9755(9) 1_565 ?
N1 H11 1.9745(9) 1_555 ?
N1 C6 2.3656(14) 1_555 ?
N1 H12 2.7750(9) 1_565 ?
N1 H13 2.5867(9) 1_555 ?
N1 C9 1.3541(11) 1_555 ?
N1 H19 2.0909(8) 1_555 ?
N1 H20 2.0862(7) 1_555 ?
N1 C10 2.2103(12) 1_555 ?
N1 H21 2.8551(9) 1_555 ?
N1 H22 2.7723(9) 1_565 ?
N1 C13 1.3486(12) 1_565 ?
N1 H28 2.0361(9) 1_565 ?
N1 H29 2.0915(9) 1_565 ?
N1 C14 2.2937(13) 1_565 ?
N1 H30 2.8600(9) 1_565 ?
N1 H31 2.7508(9) 1_565 ?
C1 N1 1.3503(11) 1_555 ?
C1 H1 0.9874(8) 1_555 ?
C1 H2 0.9781(8) 1_555 ?
C1 C2 1.4692(12) 1_555 ?
C1 H3 2.2040(9) 1_555 ?
C1 H4 2.1968(9) 1_555 ?
C1 C3 2.4289(12) 1_555 ?
C1 H5 2.8598(8) 1_555 ?
C1 H6 2.8332(8) 1_555 ?
C1 C5 2.3050(11) 1_555 ?
C1 H11 2.6689(8) 1_555 ?
C1 C6 2.8406(12) 1_555 ?
C1 H13 2.5426(8) 1_555 ?
C1 C9 2.2631(10) 1_555 ?
C1 H19 2.6089(7) 1_555 ?
C1 C10 2.6165(11) 1_555 ?
C1 H21 2.7836(8) 1_555 ?
C1 C13 1.9612(12) 1_565 ?
C1 H28 2.4363(9) 1_565 ?
C1 H29 2.3540(9) 1_565 ?
H1 N1 2.0084(7) 1_555 ?
H1 C1 0.9874(8) 1_555 ?
H1 H2 1.56267(3) 1_555 ?
H1 C2 1.8955(9) 1_555 ?
H1 H3 2.81963(5) 1_555 ?
H1 H4 2.39358(5) 1_555 ?
H1 C3 2.3553(9) 1_555 ?
H1 H5 2.83355(5) 1_555 ?
H1 H6 2.38059(5) 1_555 ?
H1 C5 2.6481(9) 1_555 ?
H1 C6 2.6434(9) 1_555 ?
H1 H13 2.06262(4) 1_555 ?
H1 C13 2.2680(9) 1_565 ?
H1 H28 2.33381(5) 1_565 ?
H1 H29 2.68638(5) 1_565 ?
H2 N1 2.0633(8) 1_555 ?
H2 C1 0.9781(8) 1_555 ?
H2 H1 1.56267(3) 1_555 ?
H2 C2 1.8683(9) 1_555 ?
H2 H3 2.30485(5) 1_555 ?
H2 H4 2.81904(4) 1_555 ?
H2 C3 2.4701(9) 1_555 ?
H2 H5 2.52719(5) 1_555 ?
H2 H6 2.97905(5) 1_555 ?
H2 H7 2.88353(4) 2_556 ?
H2 C9 2.6308(7) 1_555 ?
H2 H19 2.85863(6) 1_555 ?
H2 C10 2.4283(8) 1_555 ?
H2 H21 2.25658(4) 1_555 ?
H2 H22 2.98059(5) 1_565 ?
H2 C13 2.3702(8) 1_565 ?
H2 H28 2.93401(5) 1_565 ?
H2 H29 2.35783(6) 1_565 ?
C2 N1 2.2913(12) 1_555 ?
C2 C1 1.4692(12) 1_555 ?
C2 H1 1.8955(9) 1_555 ?
C2 H2 1.8683(9) 1_555 ?
C2 H3 1.0045(9) 1_555 ?
C2 H4 1.0207(9) 1_555 ?
C2 C3 1.4930(12) 1_555 ?
C2 H5 2.2157(9) 1_555 ?
C2 H6 2.2193(10) 1_555 ?
C2 C4 2.6074(12) 1_555 ?
C2 H8 2.9607(8) 1_555 ?
C2 H9 2.9600(9) 1_555 ?
C2 C5 2.6999(12) 1_555 ?
C2 H11 2.5116(9) 1_555 ?
C2 H13 2.8429(9) 1_555 ?
C2 C9 2.7151(12) 1_555 ?
C2 H19 2.5373(10) 1_555 ?
H3 N1 2.8403(9) 1_555 ?
H3 C1 2.2040(9) 1_555 ?
H3 H1 2.81963(5) 1_555 ?
H3 H2 2.30485(5) 1_555 ?
H3 C2 1.0045(9) 1_555 ?
H3 H4 1.56918(3) 1_555 ?
H3 C3 1.8783(7) 1_555 ?
H3 H5 2.34961(5) 1_555 ?
H3 H6 2.82969(6) 1_555 ?
H3 C4 2.5696(9) 1_555 ?
H3 H8 2.55110(5) 1_555 ?
H3 H9 2.99551(5) 1_555 ?
H3 H11 2.92520(4) 1_555 ?
H3 C9 2.7864(9) 1_555 ?
H3 H19 2.26718(4) 1_555 ?
H4 N1 2.6905(9) 1_555 ?
H4 C1 2.1968(9) 1_555 ?
H4 H1 2.39358(5) 1_555 ?
H4 H2 2.81904(4) 1_555 ?
H4 C2 1.0207(9) 1_555 ?
H4 H3 1.56918(3) 1_555 ?
H4 C3 1.8738(8) 1_555 ?
H4 H5 2.83132(5) 1_555 ?
H4 H6 2.36428(5) 1_555 ?
H4 C4 2.5645(9) 1_555 ?
H4 H8 2.97465(5) 1_555 ?
H4 H9 2.52940(5) 1_555 ?
H4 C5 2.5706(9) 1_555 ?
H4 H11 2.12279(3) 1_555 ?
H4 C6 2.9176(9) 1_555 ?
H4 H13 2.52297(4) 1_555 ?
H4 H18 2.70188(5) 1_555 ?
H4 H19 2.92825(5) 1_555 ?
C3 C1 2.4289(12) 1_555 ?
C3 H1 2.3553(9) 1_555 ?
C3 H2 2.4701(9) 1_555 ?
C3 C2 1.4930(12) 1_555 ?
C3 H3 1.8783(7) 1_555 ?
C3 H4 1.8738(8) 1_555 ?
C3 H5 1.0343(9) 1_555 ?
C3 H6 1.0198(8) 1_555 ?
C3 C4 1.5044(12) 1_555 ?
C3 H7 2.2962(9) 1_555 ?
C3 H8 2.1904(9) 1_555 ?
C3 H9 2.1807(9) 1_555 ?
H5 C1 2.8598(8) 1_555 ?
H5 H1 2.83355(5) 1_555 ?
H5 H2 2.52719(5) 1_555 ?
H5 C2 2.2157(9) 1_555 ?
H5 H3 2.34961(5) 1_555 ?
H5 H4 2.83132(5) 1_555 ?
H5 C3 1.0343(9) 1_555 ?
H5 H6 1.56593(3) 1_555 ?
H5 C4 1.8485(9) 1_555 ?
H5 H7 2.31845(5) 1_555 ?
H5 H8 2.33049(5) 1_555 ?
H5 H9 2.80643(4) 1_555 ?
H5 H29 2.58382(4) 2_556 ?
H5 H33 2.58668(5) 2_556 ?
H6 C1 2.8332(8) 1_555 ?
H6 H1 2.38059(5) 1_555 ?
H6 H2 2.97905(5) 1_555 ?
H6 C2 2.2193(10) 1_555 ?
H6 H3 2.82969(6) 1_555 ?
H6 H4 2.36428(5) 1_555 ?
H6 C3 1.0198(8) 1_555 ?
H6 H5 1.56593(3) 1_555 ?
H6 C4 1.8642(9) 1_555 ?
H6 H7 2.32126(6) 1_555 ?
H6 H8 2.81082(5) 1_555 ?
H6 H9 2.33214(5) 1_555 ?
C4 C2 2.6074(12) 1_555 ?
C4 H3 2.5696(9) 1_555 ?
C4 H4 2.5645(9) 1_555 ?
C4 C3 1.5044(12) 1_555 ?
C4 H5 1.8485(9) 1_555 ?
C4 H6 1.8642(9) 1_555 ?
C4 H7 1.0575(9) 1_555 ?
C4 H8 1.0318(10) 1_555 ?
C4 H9 1.0535(9) 1_555 ?
H7 H2 2.88353(4) 2_546 ?
H7 C3 2.2962(9) 1_555 ?
H7 H5 2.31845(5) 1_555 ?
H7 H6 2.32126(6) 1_555 ?
H7 C4 1.0575(9) 1_555 ?
H7 H8 1.56624(3) 1_555 ?
H7 H9 1.56787(3) 1_555 ?
H7 H21 2.59429(4) 2_546 ?
H7 H22 2.86209(6) 2_556 ?
H7 H29 2.95832(5) 2_556 ?
H8 C2 2.9607(8) 1_555 ?
H8 H3 2.55110(5) 1_555 ?
H8 H4 2.97465(5) 1_555 ?
H8 C3 2.1904(9) 1_555 ?
H8 H5 2.33049(5) 1_555 ?
H8 H6 2.81082(5) 1_555 ?
H8 C4 1.0318(10) 1_555 ?
H8 H7 1.56624(3) 1_555 ?
H8 H9 1.56671(3) 1_555 ?
H8 H32 2.83443(6) 1_555 ?
H8 H34 2.32065(4) 1_555 ?
H9 C2 2.9600(9) 1_555 ?
H9 H3 2.99551(5) 1_555 ?
H9 H4 2.52940(5) 1_555 ?
H9 C3 2.1807(9) 1_555 ?
H9 H5 2.80643(4) 1_555 ?
H9 H6 2.33214(5) 1_555 ?
H9 C4 1.0535(9) 1_555 ?
H9 H7 1.56787(3) 1_555 ?
H9 H8 1.56671(3) 1_555 ?
H9 H14 2.50220(4) 2_646 ?
C5 N1 1.3475(12) 1_555 ?
C5 C1 2.3050(11) 1_555 ?
C5 H1 2.6481(9) 1_555 ?
C5 C2 2.6999(12) 1_555 ?
C5 H4 2.5706(9) 1_555 ?
C5 H10 1.0097(9) 1_565 ?
C5 H11 0.9775(9) 1_555 ?
C5 C6 1.4558(14) 1_555 ?
C5 H12 2.0949(10) 1_565 ?
C5 H13 2.0603(10) 1_555 ?
C5 C7 2.5272(13) 1_555 ?
C5 H15 2.7514(8) 1_555 ?
C5 C9 2.0361(13) 1_555 ?
C5 H19 2.5784(9) 1_555 ?
C5 H20 2.4627(10) 1_555 ?
C5 C13 2.3150(12) 1_565 ?
C5 H28 2.6125(9) 1_565 ?
C5 C14 2.8082(13) 1_565 ?
C5 H30 2.9028(9) 1_565 ?
H10 N1 1.9755(9) 1_545 ?
H10 C5 1.0097(9) 1_545 ?
H10 H11 1.57480(4) 1_545 ?
H10 C6 1.9279(10) 1_545 ?
H10 H12 2.25396(4) 1_555 ?
H10 H13 2.79698(5) 1_545 ?
H10 C7 2.7306(10) 1_545 ?
H10 H15 2.61743(4) 1_545 ?
H10 C9 2.3240(9) 1_545 ?
H10 H19 2.96905(4) 1_545 ?
H10 H20 2.32162(4) 1_545 ?
H10 C13 2.6223(9) 1_555 ?
H10 H28 2.88526(5) 1_555 ?
H10 C14 2.5415(9) 1_555 ?
H10 H30 2.35352(6) 1_555 ?
H10 H31 2.88482(4) 1_555 ?
H11 N1 1.9745(9) 1_555 ?
H11 C1 2.6689(8) 1_555 ?
H11 C2 2.5116(9) 1_555 ?
H11 H3 2.92520(4) 1_555 ?
H11 H4 2.12279(3) 1_555 ?
H11 C5 0.9775(9) 1_555 ?
H11 H10 1.57480(4) 1_565 ?
H11 C6 1.9613(10) 1_555 ?
H11 H12 2.80965(5) 1_565 ?
H11 H13 2.41375(5) 1_555 ?
H11 C7 2.5677(9) 1_555 ?
H11 H15 2.70652(4) 1_555 ?
H11 C8 2.8683(10) 1_555 ?
H11 H18 2.37793(3) 1_555 ?
H11 C9 2.2319(9) 1_555 ?
H11 H19 2.39450(4) 1_555 ?
H11 H20 2.68193(4) 1_555 ?
C6 N1 2.3656(14) 1_555 ?
C6 C1 2.8406(12) 1_555 ?
C6 H1 2.6434(9) 1_555 ?
C6 H4 2.9176(9) 1_555 ?
C6 C5 1.4558(14) 1_555 ?
C6 H10 1.9279(10) 1_565 ?
C6 H11 1.9613(10) 1_555 ?
C6 H12 0.9795(9) 1_565 ?
C6 H13 1.0075(9) 1_555 ?
C6 C7 1.4710(13) 1_555 ?
C6 H14 2.1584(10) 1_555 ?
C6 H15 2.0964(9) 1_555 ?
C6 C8 2.4401(13) 1_555 ?
C6 H17 2.7563(9) 1_555 ?
C6 H18 2.7195(9) 1_555 ?
C6 C13 2.8520(13) 1_565 ?
C6 H28 2.6206(9) 1_565 ?
H12 N1 2.7750(9) 1_545 ?
H12 C5 2.0949(10) 1_545 ?
H12 H10 2.25396(4) 1_555 ?
H12 H11 2.80965(5) 1_545 ?
H12 C6 0.9795(9) 1_545 ?
H12 H13 1.57316(3) 1_545 ?
H12 C7 1.9139(9) 1_545 ?
H12 H14 2.21353(3) 1_545 ?
H12 H15 2.42800(4) 1_545 ?
H12 H16 2.91689(6) 2_646 ?
H12 H17 2.74651(6) 2_646 ?
H12 C13 2.8003(10) 1_555 ?
H12 H28 2.28238(4) 1_555 ?
H12 H30 2.88749(4) 1_555 ?
H13 N1 2.5867(9) 1_555 ?
H13 C1 2.5426(8) 1_555 ?
H13 H1 2.06262(4) 1_555 ?
H13 C2 2.8429(9) 1_555 ?
H13 H4 2.52297(4) 1_555 ?
H13 C5 2.0603(10) 1_555 ?
H13 H10 2.79698(5) 1_565 ?
H13 H11 2.41375(5) 1_555 ?
H13 C6 1.0075(9) 1_555 ?
H13 H12 1.57316(3) 1_565 ?
H13 C7 1.9212(8) 1_555 ?
H13 H14 2.41818(4) 1_555 ?
H13 H15 2.80027(6) 1_555 ?
H13 C8 2.4915(9) 1_555 ?
H13 H17 2.40179(4) 1_555 ?
H13 H18 2.80042(5) 1_555 ?
H13 H28 2.76378(5) 1_565 ?
C7 C5 2.5272(13) 1_555 ?
C7 H10 2.7306(10) 1_565 ?
C7 H11 2.5677(9) 1_555 ?
C7 C6 1.4710(13) 1_555 ?
C7 H12 1.9139(9) 1_565 ?
C7 H13 1.9212(8) 1_555 ?
C7 H14 1.0245(10) 1_555 ?
C7 H15 1.0050(9) 1_555 ?
C7 C8 1.3343(12) 1_555 ?
C7 H16 2.0823(9) 1_555 ?
C7 H17 2.0061(9) 1_555 ?
C7 H18 2.0003(9) 1_555 ?
H14 H9 2.50220(4) 2_656 ?
H14 C6 2.1584(10) 1_555 ?
H14 H12 2.21353(3) 1_565 ?
H14 H13 2.41818(4) 1_555 ?
H14 C7 1.0245(10) 1_555 ?
H14 H15 1.56406(3) 1_555 ?
H14 C8 1.8011(8) 1_555 ?
H14 H16 2.22756(5) 1_555 ?
H14 H17 2.25339(5) 1_555 ?
H14 H18 2.74251(5) 1_555 ?
H15 C5 2.7514(8) 1_555 ?
H15 H10 2.61743(4) 1_565 ?
H15 H11 2.70652(4) 1_555 ?
H15 C6 2.0964(9) 1_555 ?
H15 H12 2.42800(4) 1_565 ?
H15 H13 2.80027(6) 1_555 ?
H15 C7 1.0050(9) 1_555 ?
H15 H14 1.56406(3) 1_555 ?
H15 C8 1.8035(9) 1_555 ?
H15 H16 2.23198(5) 1_555 ?
H15 H17 2.73848(5) 1_555 ?
H15 H18 2.24658(5) 1_555 ?
C8 H11 2.8683(10) 1_555 ?
C8 C6 2.4401(13) 1_555 ?
C8 H13 2.4915(9) 1_555 ?
C8 C7 1.3343(12) 1_555 ?
C8 H14 1.8011(8) 1_555 ?
C8 H15 1.8035(9) 1_555 ?
C8 H16 1.0030(9) 1_555 ?
C8 H17 1.0348(9) 1_555 ?
C8 H18 1.0440(10) 1_555 ?
H16 H12 2.91689(6) 2_656 ?
H16 C7 2.0823(9) 1_555 ?
H16 H14 2.22756(5) 1_555 ?
H16 H15 2.23198(5) 1_555 ?
H16 C8 1.0030(9) 1_555 ?
H16 H17 1.56611(3) 1_555 ?
H16 H18 1.56592(3) 1_555 ?
H16 H28 2.84842(4) 2_656 ?
H16 H32 2.89514(5) 2_656 ?
H17 C6 2.7563(9) 1_555 ?
H17 H12 2.74651(6) 2_656 ?
H17 H13 2.40179(4) 1_555 ?
H17 C7 2.0061(9) 1_555 ?
H17 H14 2.25339(5) 1_555 ?
H17 H15 2.73848(5) 1_555 ?
H17 C8 1.0348(9) 1_555 ?
H17 H16 1.56611(3) 1_555 ?
H17 H18 1.56516(3) 1_555 ?
H18 H4 2.70188(5) 1_555 ?
H18 H11 2.37793(3) 1_555 ?
H18 C6 2.7195(9) 1_555 ?
H18 H13 2.80042(5) 1_555 ?
H18 C7 2.0003(9) 1_555 ?
H18 H14 2.74251(5) 1_555 ?
H18 H15 2.24658(5) 1_555 ?
H18 C8 1.0440(10) 1_555 ?
H18 H16 1.56592(3) 1_555 ?
H18 H17 1.56516(3) 1_555 ?
C9 N1 1.3541(11) 1_555 ?
C9 C1 2.2631(10) 1_555 ?
C9 H2 2.6308(7) 1_555 ?
C9 C2 2.7151(12) 1_555 ?
C9 H3 2.7864(9) 1_555 ?
C9 C5 2.0361(13) 1_555 ?
C9 H10 2.3240(9) 1_565 ?
C9 H11 2.2319(9) 1_555 ?
C9 H19 0.9843(9) 1_555 ?
C9 H20 1.0008(8) 1_555 ?
C9 C10 1.4938(12) 1_555 ?
C9 H21 2.2823(9) 1_555 ?
C9 H22 2.2902(9) 1_565 ?
C9 C11 2.3133(14) 1_555 ?
C9 H23 2.8721(9) 1_555 ?
C9 H24 2.6933(8) 1_555 ?
C9 C13 2.3158(12) 1_565 ?
C9 H29 2.7585(8) 1_565 ?
C9 C14 2.7274(13) 1_565 ?
C9 H31 2.6715(9) 1_565 ?
H19 N1 2.0909(8) 1_555 ?
H19 C1 2.6089(7) 1_555 ?
H19 H2 2.85863(6) 1_555 ?
H19 C2 2.5373(10) 1_555 ?
H19 H3 2.26718(4) 1_555 ?
H19 H4 2.92825(5) 1_555 ?
H19 C5 2.5784(9) 1_555 ?
H19 H10 2.96905(4) 1_565 ?
H19 H11 2.39450(4) 1_555 ?
H19 C9 0.9843(9) 1_555 ?
H19 H20 1.57671(3) 1_555 ?
H19 C10 1.8475(9) 1_555 ?
H19 H21 2.29737(4) 1_555 ?
H19 H22 2.82476(5) 1_565 ?
H19 C11 2.2328(11) 1_555 ?
H19 H23 2.41213(4) 1_555 ?
H19 H24 2.70250(4) 1_555 ?
H20 N1 2.0862(7) 1_555 ?
H20 C5 2.4627(10) 1_555 ?
H20 H10 2.32162(4) 1_565 ?
H20 H11 2.68193(4) 1_555 ?
H20 C9 1.0008(8) 1_555 ?
H20 H19 1.57671(3) 1_555 ?
H20 C10 1.8655(8) 1_555 ?
H20 H21 2.80720(5) 1_555 ?
H20 H22 2.36766(4) 1_565 ?
H20 C11 2.1599(11) 1_555 ?
H20 H23 2.80590(4) 1_555 ?
H20 H24 2.13017(4) 1_555 ?
H20 H24 2.99116(6) 3_677 ?
H20 C13 2.7531(9) 1_565 ?
H20 C14 2.6056(9) 1_565 ?
H20 H31 2.22981(5) 1_565 ?
C10 N1 2.2103(12) 1_555 ?
C10 C1 2.6165(11) 1_555 ?
C10 H2 2.4283(8) 1_555 ?
C10 C9 1.4938(12) 1_555 ?
C10 H19 1.8475(9) 1_555 ?
C10 H20 1.8655(8) 1_555 ?
C10 H21 1.0270(8) 1_555 ?
C10 H22 1.0352(9) 1_565 ?
C10 C11 1.5186(11) 1_555 ?
C10 H23 2.3227(8) 1_555 ?
C10 H24 2.2907(7) 1_555 ?
C10 C12 2.5207(11) 1_555 ?
C10 H26 2.9215(8) 1_555 ?
C10 H27 2.9141(8) 1_565 ?
C10 C13 2.5142(13) 1_565 ?
C10 H29 2.3772(8) 1_565 ?
C10 C14 2.9653(13) 1_565 ?
C10 H31 2.7403(9) 1_565 ?
H21 N1 2.8551(9) 1_555 ?
H21 C1 2.7836(8) 1_555 ?
H21 H2 2.25658(4) 1_555 ?
H21 H7 2.59429(4) 2_556 ?
H21 C9 2.2823(9) 1_555 ?
H21 H19 2.29737(4) 1_555 ?
H21 H20 2.80720(5) 1_555 ?
H21 C10 1.0270(8) 1_555 ?
H21 H22 1.58753(4) 1_565 ?
H21 C11 1.8190(8) 1_555 ?
H21 H23 2.30742(4) 1_555 ?
H21 H24 2.82397(6) 1_555 ?
H21 C12 2.5663(8) 1_555 ?
H21 H26 2.57464(5) 1_555 ?
H21 H29 2.85337(5) 1_565 ?
H22 N1 2.7723(9) 1_545 ?
H22 H2 2.98059(5) 1_545 ?
H22 H7 2.86209(6) 2_546 ?
H22 C9 2.2902(9) 1_545 ?
H22 H19 2.82476(5) 1_545 ?
H22 H20 2.36766(4) 1_545 ?
H22 C10 1.0352(9) 1_545 ?
H22 H21 1.58753(4) 1_545 ?
H22 C11 1.8560(9) 1_545 ?
H22 H23 2.84517(5) 1_545 ?
H22 H24 2.42681(5) 1_545 ?
H22 C12 2.4836(8) 1_545 ?
H22 H26 2.87265(4) 1_545 ?
H22 H27 2.47893(5) 1_555 ?
H22 C13 2.5629(10) 1_555 ?
H22 H29 2.12352(4) 1_555 ?
H22 C14 2.7054(10) 1_555 ?
H22 H31 2.35139(3) 1_555 ?
C11 C9 2.3133(14) 1_555 ?
C11 H19 2.2328(11) 1_555 ?
C11 H20 2.1599(11) 1_555 ?
C11 C10 1.5186(11) 1_555 ?
C11 H21 1.8190(8) 1_555 ?
C11 H22 1.8560(9) 1_565 ?
C11 H23 1.0563(10) 1_555 ?
C11 H24 1.0486(9) 1_555 ?
C11 C12 1.1924(14) 1_555 ?
C11 H25 2.0303(9) 1_555 ?
C11 H26 1.9106(12) 1_555 ?
C11 H27 1.9200(11) 1_565 ?
H23 C9 2.8721(9) 1_555 ?
H23 H19 2.41213(4) 1_555 ?
H23 H20 2.80590(4) 1_555 ?
H23 C10 2.3227(8) 1_555 ?
H23 H21 2.30742(4) 1_555 ?
H23 H22 2.84517(5) 1_565 ?
H23 C11 1.0563(10) 1_555 ?
H23 H24 1.55745(3) 1_555 ?
H23 C12 1.4193(9) 1_555 ?
H23 H25 1.80940(3) 1_555 ?
H23 H26 1.87554(3) 1_555 ?
H23 H27 2.44871(5) 1_565 ?
H24 C9 2.6933(8) 1_555 ?
H24 H19 2.70250(4) 1_555 ?
H24 H20 2.13017(4) 1_555 ?
H24 H20 2.99116(6) 3_677 ?
H24 C10 2.2907(7) 1_555 ?
H24 H21 2.82397(6) 1_555 ?
H24 H22 2.42681(5) 1_565 ?
H24 C11 1.0486(9) 1_555 ?
H24 H23 1.55745(3) 1_555 ?
H24 C12 1.3939(9) 1_555 ?
H24 H25 1.81624(3) 1_555 ?
H24 H26 2.43186(4) 1_555 ?
H24 H27 1.86501(3) 1_565 ?
C12 C10 2.5207(11) 1_555 ?
C12 H21 2.5663(8) 1_555 ?
C12 H22 2.4836(8) 1_565 ?
C12 C11 1.1924(14) 1_555 ?
C12 H23 1.4193(9) 1_555 ?
C12 H24 1.3939(9) 1_555 ?
C12 H25 1.0508(8) 1_555 ?
C12 H26 1.0699(9) 1_555 ?
C12 H27 1.0557(9) 1_565 ?
H25 C11 2.0303(9) 1_555 ?
H25 H23 1.80940(3) 1_555 ?
H25 H24 1.81624(3) 1_555 ?
H25 C12 1.0508(8) 1_555 ?
H25 H26 1.56843(3) 1_555 ?
H25 H27 1.57697(3) 1_565 ?
H26 C10 2.9215(8) 1_555 ?
H26 H21 2.57464(5) 1_555 ?
H26 H22 2.87265(4) 1_565 ?
H26 C11 1.9106(12) 1_555 ?
H26 H23 1.87554(3) 1_555 ?
H26 H24 2.43186(4) 1_555 ?
H26 C12 1.0699(9) 1_555 ?
H26 H25 1.56843(3) 1_555 ?
H26 H27 1.57781(3) 1_565 ?
H27 C10 2.9141(8) 1_545 ?
H27 H22 2.47893(5) 1_555 ?
H27 C11 1.9200(11) 1_545 ?
H27 H23 2.44871(5) 1_545 ?
H27 H24 1.86501(3) 1_545 ?
H27 C12 1.0557(9) 1_545 ?
H27 H25 1.57698(3) 1_545 ?
H27 H26 1.57781(3) 1_545 ?
C13 N1 1.3486(12) 1_545 ?
C13 C1 1.9612(12) 1_545 ?
C13 H1 2.2680(9) 1_545 ?
C13 H2 2.3702(8) 1_545 ?
C13 C5 2.3150(12) 1_545 ?
C13 H10 2.6223(9) 1_555 ?
C13 C6 2.8520(13) 1_545 ?
C13 H12 2.8003(10) 1_555 ?
C13 C9 2.3158(12) 1_545 ?
C13 H20 2.7531(9) 1_545 ?
C13 C10 2.5142(13) 1_545 ?
C13 H22 2.5629(10) 1_555 ?
C13 H28 0.9852(10) 1_555 ?
C13 H29 0.9814(9) 1_555 ?
C13 C14 1.4794(13) 1_555 ?
C13 H30 2.2457(9) 1_555 ?
C13 H31 2.2291(9) 1_555 ?
C13 C15 2.4391(12) 1_555 ?
C13 H32 2.8725(8) 1_555 ?
C13 H33 2.8358(8) 1_555 ?
H28 N1 2.0361(9) 1_545 ?
H28 C1 2.4363(9) 1_545 ?
H28 H1 2.33381(5) 1_545 ?
H28 H2 2.93401(5) 1_545 ?
H28 C5 2.6125(9) 1_545 ?
H28 H10 2.88526(5) 1_555 ?
H28 C6 2.6206(9) 1_545 ?
H28 H12 2.28238(4) 1_555 ?
H28 H13 2.76378(5) 1_545 ?
H28 H16 2.84842(4) 2_646 ?
H28 C13 0.9852(10) 1_555 ?
H28 H29 1.55978(3) 1_555 ?
H28 C14 1.8138(10) 1_555 ?
H28 H30 2.24609(4) 1_555 ?
H28 H31 2.78382(5) 1_555 ?
H28 C15 2.4254(9) 1_555 ?
H28 H32 2.48491(6) 1_555 ?
H28 H33 2.95304(5) 1_555 ?
H29 N1 2.0915(9) 1_545 ?
H29 C1 2.3540(9) 1_545 ?
H29 H1 2.68638(5) 1_545 ?
H29 H2 2.35783(6) 1_545 ?
H29 H5 2.58382(4) 2_546 ?
H29 H7 2.95832(5) 2_546 ?
H29 C9 2.7585(8) 1_545 ?
H29 C10 2.3772(8) 1_545 ?
H29 H21 2.85337(5) 1_545 ?
H29 H22 2.12352(4) 1_555 ?
H29 C13 0.9814(9) 1_555 ?
H29 H28 1.55978(3) 1_555 ?
H29 C14 1.8323(9) 1_555 ?
H29 H30 2.78002(5) 1_555 ?
H29 H31 2.37079(5) 1_555 ?
H29 C15 2.2596(8) 1_555 ?
H29 H32 2.73292(6) 1_555 ?
H29 H33 2.28388(6) 1_555 ?
C14 N1 2.2937(13) 1_545 ?
C14 C5 2.8082(13) 1_545 ?
C14 H10 2.5415(9) 1_555 ?
C14 C9 2.7274(13) 1_545 ?
C14 H20 2.6056(9) 1_545 ?
C14 C10 2.9653(13) 1_545 ?
C14 H22 2.7054(10) 1_555 ?
C14 C13 1.4794(13) 1_555 ?
C14 H28 1.8138(10) 1_555 ?
C14 H29 1.8323(9) 1_555 ?
C14 H30 1.0329(9) 1_555 ?
C14 H31 1.0192(10) 1_555 ?
C14 C15 1.5009(12) 1_555 ?
C14 H32 2.2435(9) 1_555 ?
C14 H33 2.2300(9) 1_555 ?
C14 C16 2.6746(12) 1_555 ?
C14 H35 2.9997(9) 1_555 ?
C14 H36 2.9906(9) 1_555 ?
H30 N1 2.8600(9) 1_545 ?
H30 C5 2.9028(9) 1_545 ?
H30 H10 2.35352(6) 1_555 ?
H30 H12 2.88749(4) 1_555 ?
H30 C13 2.2457(9) 1_555 ?
H30 H28 2.24609(4) 1_555 ?
H30 H29 2.78002(5) 1_555 ?
H30 C14 1.0329(9) 1_555 ?
H30 H31 1.57268(3) 1_555 ?
H30 C15 1.8718(9) 1_555 ?
H30 H32 2.35991(4) 1_555 ?
H30 H33 2.83662(4) 1_555 ?
H30 C16 2.6359(8) 1_555 ?
H30 H35 2.57290(6) 1_555 ?
H31 N1 2.7508(9) 1_545 ?
H31 H10 2.88482(4) 1_555 ?
H31 C9 2.6715(9) 1_545 ?
H31 H20 2.22981(5) 1_545 ?
H31 C10 2.7403(9) 1_545 ?
H31 H22 2.35139(3) 1_555 ?
H31 C13 2.2291(9) 1_555 ?
H31 H28 2.78382(5) 1_555 ?
H31 H29 2.37079(5) 1_555 ?
H31 C14 1.0192(10) 1_555 ?
H31 H30 1.57268(3) 1_555 ?
H31 C15 1.8643(9) 1_555 ?
H31 H32 2.84256(5) 1_555 ?
H31 H33 2.37314(4) 1_555 ?
H31 C16 2.6098(8) 1_555 ?
H31 H35 2.99554(7) 1_555 ?
H31 H36 2.55510(6) 1_555 ?
C15 C13 2.4391(12) 1_555 ?
C15 H28 2.4254(9) 1_555 ?
C15 H29 2.2596(8) 1_555 ?
C15 C14 1.5009(12) 1_555 ?
C15 H30 1.8718(9) 1_555 ?
C15 H31 1.8643(9) 1_555 ?
C15 H32 1.0525(10) 1_555 ?
C15 H33 1.0281(9) 1_555 ?
C15 C16 1.5108(12) 1_555 ?
C15 H34 2.2905(8) 1_555 ?
C15 H35 2.1666(9) 1_555 ?
C15 H36 2.1542(9) 1_555 ?
H32 H8 2.83443(6) 1_555 ?
H32 H16 2.89514(5) 2_646 ?
H32 C13 2.8725(8) 1_555 ?
H32 H28 2.48491(6) 1_555 ?
H32 H29 2.73292(6) 1_555 ?
H32 C14 2.2435(9) 1_555 ?
H32 H30 2.35991(4) 1_555 ?
H32 H31 2.84256(5) 1_555 ?
H32 C15 1.0525(10) 1_555 ?
H32 H33 1.56640(3) 1_555 ?
H32 C16 1.8481(10) 1_555 ?
H32 H34 2.28687(4) 1_555 ?
H32 H35 2.29713(4) 1_555 ?
H32 H36 2.77968(5) 1_555 ?
H33 H5 2.58668(5) 2_546 ?
H33 C13 2.8358(8) 1_555 ?
H33 H28 2.95304(5) 1_555 ?
H33 H29 2.28388(6) 1_555 ?
H33 C14 2.2300(9) 1_555 ?
H33 H30 2.83662(4) 1_555 ?
H33 H31 2.37314(4) 1_555 ?
H33 C15 1.0281(9) 1_555 ?
H33 H32 1.56640(3) 1_555 ?
H33 C16 1.8304(9) 1_555 ?
H33 H34 2.29232(5) 1_555 ?
H33 H35 2.78202(4) 1_555 ?
H33 H36 2.29725(4) 1_555 ?
C16 C14 2.6746(12) 1_555 ?
C16 H30 2.6359(8) 1_555 ?
C16 H31 2.6098(8) 1_555 ?
C16 C15 1.5108(12) 1_555 ?
C16 H32 1.8481(10) 1_555 ?
C16 H33 1.8304(9) 1_555 ?
C16 H34 1.0282(8) 1_555 ?
C16 H35 1.0597(9) 1_555 ?
C16 H36 1.0247(10) 1_555 ?
H34 H8 2.32065(4) 1_555 ?
H34 C15 2.2905(8) 1_555 ?
H34 H32 2.28687(4) 1_555 ?
H34 H33 2.29232(5) 1_555 ?
H34 C16 1.0282(8) 1_555 ?
H34 H35 1.56952(2) 1_555 ?
H34 H36 1.57307(3) 1_555 ?
H35 C14 2.9997(9) 1_555 ?
H35 H30 2.57290(6) 1_555 ?
H35 H31 2.99554(7) 1_555 ?
H35 C15 2.1666(9) 1_555 ?
H35 H32 2.29713(4) 1_555 ?
H35 H33 2.78202(4) 1_555 ?
H35 C16 1.0597(9) 1_555 ?
H35 H34 1.56952(2) 1_555 ?
H35 H36 1.56795(3) 1_555 ?
H36 C14 2.9906(9) 1_555 ?
H36 H31 2.55510(6) 1_555 ?
H36 C15 2.1542(9) 1_555 ?
H36 H32 2.77968(5) 1_555 ?
H36 H33 2.29725(4) 1_555 ?
H36 C16 1.0247(10) 1_555 ?
H36 H34 1.57307(3) 1_555 ?
H36 H35 1.56795(3) 1_555 ?

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
W2 W1 W2 88.7(3) 1_555 3_656 ?
W2 W1 W3 59.4(2) 1_555 1_555 ?
W2 W1 W3 55.8(2) 1_555 3_656 ?
W2 W1 I1 61.3(3) 1_555 1_555 ?
W2 W1 I2 61.5(3) 1_555 1_555 ?
W2 W1 I3 120.4(4) 1_555 1_555 ?
W2 W1 I4 118.3(3) 1_555 1_545 ?
W2 W1 I5 138.5(4) 1_555 1_555 ?
W2 W1 W3 57.4(2) 3_656 1_555 ?
W2 W1 W3 61.0(2) 3_656 3_656 ?
W2 W1 I1 121.4(3) 3_656 1_555 ?
W2 W1 I2 120.7(3) 3_656 1_555 ?
W2 W1 I3 61.2(3) 3_656 1_555 ?
W2 W1 I4 61.5(3) 3_656 1_545 ?
W2 W1 I5 132.8(3) 3_656 1_555 ?
W3 W1 W3 85.9(3) 1_555 3_656 ?
W3 W1 I1 120.7(3) 1_555 1_555 ?
W3 W1 I2 63.3(3) 1_555 1_555 ?
W3 W1 I3 61.0(3) 1_555 1_555 ?
W3 W1 I4 118.9(3) 1_555 1_545 ?
W3 W1 I5 138.4(3) 1_555 1_555 ?
W3 W1 I1 60.6(2) 3_656 1_555 ?
W3 W1 I2 117.3(3) 3_656 1_555 ?
W3 W1 I3 122.1(4) 3_656 1_555 ?
W3 W1 I4 62.4(3) 3_656 1_545 ?
W3 W1 I5 135.7(4) 3_656 1_555 ?
I1 W1 I2 89.2(3) 1_555 1_555 ?
I1 W1 I3 177.3(4) 1_555 1_555 ?
I1 W1 I4 88.7(3) 1_555 1_545 ?
I1 W1 I5 89.4(3) 1_555 1_555 ?
I2 W1 I3 89.9(4) 1_555 1_555 ?
I2 W1 I4 177.6(4) 1_555 1_545 ?
I2 W1 I5 91.7(3) 1_555 1_555 ?
I3 W1 I4 92.2(4) 1_555 1_545 ?
I3 W1 I5 88.1(3) 1_555 1_555 ?
I4 W1 I5 87.1(3) 1_545 1_555 ?
W1 W2 W1 91.3(3) 1_555 3_656 ?
W1 W2 W3 58.0(2) 1_555 1_555 ?
W1 W2 W3 59.6(2) 1_555 3_656 ?
W1 W2 I1 59.2(2) 1_555 1_555 ?
W1 W2 I2 57.9(2) 1_555 1_555 ?
W1 W2 I3 121.8(4) 1_555 3_656 ?
W1 W2 I4 120.2(3) 1_555 3_666 ?
W1 W2 I6 135.1(4) 1_555 1_555 ?
W1 W2 W3 59.6(2) 3_656 1_555 ?
W1 W2 W3 61.3(2) 3_656 3_656 ?
W1 W2 I1 122.3(3) 3_656 1_555 ?
W1 W2 I2 121.0(3) 3_656 1_555 ?
W1 W2 I3 61.0(3) 3_656 3_656 ?
W1 W2 I4 63.3(3) 3_656 3_666 ?
W1 W2 I6 133.4(4) 3_656 1_555 ?
W3 W2 W3 87.2(3) 1_555 3_656 ?
W3 W2 I1 117.2(3) 1_555 1_555 ?
W3 W2 I2 61.5(3) 1_555 1_555 ?
W3 W2 I3 120.5(4) 1_555 3_656 ?
W3 W2 I4 62.6(3) 1_555 3_666 ?
W3 W2 I6 141.4(4) 1_555 1_555 ?
W3 W2 I1 61.0(3) 3_656 1_555 ?
W3 W2 I2 117.5(3) 3_656 1_555 ?
W3 W2 I3 62.2(3) 3_656 3_656 ?
W3 W2 I4 124.5(3) 3_656 3_666 ?
W3 W2 I6 131.4(4) 3_656 1_555 ?
I1 W2 I2 86.0(3) 1_555 1_555 ?
I1 W2 I3 92.0(4) 1_555 3_656 ?
I1 W2 I4 174.0(4) 1_555 3_666 ?
I1 W2 I6 87.3(3) 1_555 1_555 ?
I2 W2 I3 177.8(5) 1_555 3_656 ?
I2 W2 I4 88.8(3) 1_555 3_666 ?
I2 W2 I6 93.6(4) 1_555 1_555 ?
I3 W2 I4 93.1(4) 3_656 3_666 ?
I3 W2 I6 85.3(4) 3_656 1_555 ?
I4 W2 I6 89.8(3) 3_666 1_555 ?
W1 W3 W1 94.1(3) 1_555 3_656 ?
W1 W3 W2 62.7(2) 1_555 1_555 ?
W1 W3 W2 61.3(2) 1_555 3_656 ?
W1 W3 I1 125.9(3) 1_555 3_656 ?
W1 W3 I2 59.2(3) 1_555 1_555 ?
W1 W3 I3 61.0(3) 1_555 1_555 ?
W1 W3 I4 123.4(3) 1_555 3_666 ?
W1 W3 I7 136.1(4) 1_555 1_555 ?
W1 W3 W2 59.4(2) 3_656 1_555 ?
W1 W3 W2 64.6(3) 3_656 3_656 ?
W1 W3 I1 61.9(2) 3_656 3_656 ?
W1 W3 I2 120.7(3) 3_656 1_555 ?
W1 W3 I3 127.0(4) 3_656 1_555 ?
W1 W3 I4 62.7(3) 3_656 3_666 ?
W1 W3 I7 129.5(4) 3_656 1_555 ?
W2 W3 W2 92.8(3) 1_555 3_656 ?
W2 W3 I1 121.2(3) 1_555 3_656 ?
W2 W3 I2 61.2(3) 1_555 1_555 ?
W2 W3 I3 123.6(4) 1_555 1_555 ?
W2 W3 I4 61.2(3) 1_555 3_666 ?
W2 W3 I7 130.9(4) 1_555 1_555 ?
W2 W3 I1 64.7(3) 3_656 3_656 ?
W2 W3 I2 120.5(3) 3_656 1_555 ?
W2 W3 I3 62.4(3) 3_656 1_555 ?
W2 W3 I4 127.2(4) 3_656 3_666 ?
W2 W3 I7 136.1(4) 3_656 1_555 ?
I1 W3 I2 174.7(4) 3_656 1_555 ?
I1 W3 I3 94.1(4) 3_656 1_555 ?
I1 W3 I4 89.5(3) 3_656 3_666 ?
I1 W3 I7 85.6(3) 3_656 1_555 ?
I2 W3 I3 87.7(4) 1_555 1_555 ?
I2 W3 I4 88.0(3) 1_555 3_666 ?
I2 W3 I7 89.5(4) 1_555 1_555 ?
I3 W3 I4 170.2(5) 1_555 3_666 ?
I3 W3 I7 90.3(4) 1_555 1_555 ?
I4 W3 I7 80.8(3) 3_666 1_555 ?
W1 I1 W2 59.4(2) 1_555 1_555 ?
W1 I1 W3 57.6(2) 1_555 3_656 ?
W2 I1 W3 54.4(2) 1_555 3_656 ?
W1 I2 W2 60.6(3) 1_555 1_555 ?
W1 I2 W3 57.5(3) 1_555 1_555 ?
W2 I2 W3 57.3(2) 1_555 1_555 ?
W1 I3 W2 57.9(3) 1_555 3_656 ?
W1 I3 W3 57.9(3) 1_555 1_555 ?
W2 I3 W3 55.4(3) 3_656 1_555 ?
W1 I4 W2 55.2(2) 1_565 3_666 ?
W1 I4 W3 54.9(2) 1_565 3_666 ?
W2 I4 W3 56.2(2) 3_666 3_666 ?
C1 N1 H3 48.99(6) 1_555 1_555 ?
C1 N1 H4 54.34(6) 1_555 1_555 ?
C1 N1 C5 117.39(11) 1_555 1_555 ?
C1 N1 H10 144.95(7) 1_555 1_565 ?
C1 N1 H11 105.23(7) 1_555 1_555 ?
C1 N1 C6 95.84(9) 1_555 1_555 ?
C1 N1 H12 101.48(7) 1_555 1_565 ?
C1 N1 H13 72.94(6) 1_555 1_555 ?
C1 N1 C9 113.61(10) 1_555 1_555 ?
C1 N1 H19 96.21(7) 1_555 1_555 ?
C1 N1 H20 136.23(7) 1_555 1_555 ?
C1 N1 C10 91.32(8) 1_555 1_555 ?
C1 N1 H21 73.22(6) 1_555 1_555 ?
C1 N1 H22 97.60(7) 1_555 1_565 ?
C1 N1 C13 93.22(10) 1_555 1_565 ?
C1 N1 H28 89.65(7) 1_555 1_565 ?
C1 N1 H29 83.33(7) 1_555 1_565 ?
C1 N1 C14 130.66(10) 1_555 1_565 ?
C1 N1 H30 140.73(7) 1_555 1_565 ?
C1 N1 H31 138.86(7) 1_555 1_565 ?
H1 N1 H2 45.11(3) 1_555 1_555 ?
H1 N1 C2 51.81(4) 1_555 1_555 ?
H1 N1 H3 68.67(3) 1_555 1_555 ?
H1 N1 H4 59.14(3) 1_555 1_555 ?
H1 N1 C5 102.41(7) 1_555 1_555 ?
H1 N1 H10 125.63(3) 1_555 1_565 ?
H1 N1 H11 101.30(3) 1_555 1_555 ?
H1 N1 C6 73.85(5) 1_555 1_555 ?
H1 N1 H12 76.20(3) 1_555 1_565 ?
H1 N1 H13 51.48(3) 1_555 1_555 ?
H1 N1 C9 139.11(7) 1_555 1_555 ?
H1 N1 H19 119.85(3) 1_555 1_555 ?
H1 N1 H20 162.06(3) 1_555 1_555 ?
H1 N1 C10 113.86(5) 1_555 1_555 ?
H1 N1 H21 96.70(3) 1_555 1_555 ?
H1 N1 H22 114.24(3) 1_555 1_565 ?
H1 N1 C13 82.48(7) 1_555 1_565 ?
H1 N1 H28 70.48(3) 1_555 1_565 ?
H1 N1 H29 81.85(3) 1_555 1_565 ?
H1 N1 C14 118.52(6) 1_555 1_565 ?
H1 N1 H30 120.52(3) 1_555 1_565 ?
H1 N1 H31 135.88(3) 1_555 1_565 ?
H2 N1 C2 50.48(4) 1_555 1_555 ?
H2 N1 H3 53.25(3) 1_555 1_555 ?
H2 N1 H4 71.36(3) 1_555 1_555 ?
H2 N1 C5 139.55(8) 1_555 1_555 ?
H2 N1 H10 167.59(3) 1_555 1_565 ?
H2 N1 H11 122.18(4) 1_555 1_555 ?
H2 N1 C6 118.32(6) 1_555 1_555 ?
H2 N1 H12 120.51(3) 1_555 1_565 ?
H2 N1 H13 95.43(3) 1_555 1_555 ?
H2 N1 C9 98.55(7) 1_555 1_555 ?
H2 N1 H19 86.96(3) 1_555 1_555 ?
H2 N1 H20 118.12(3) 1_555 1_555 ?
H2 N1 C10 69.15(5) 1_555 1_555 ?
H2 N1 H21 51.61(3) 1_555 1_555 ?
H2 N1 H22 74.49(3) 1_555 1_565 ?
H2 N1 C13 85.28(7) 1_555 1_565 ?
H2 N1 H28 91.40(3) 1_555 1_565 ?
H2 N1 H29 69.15(3) 1_555 1_565 ?
H2 N1 C14 118.14(6) 1_555 1_565 ?
H2 N1 H30 134.92(3) 1_555 1_565 ?
H2 N1 H31 119.15(3) 1_555 1_565 ?
C2 N1 C5 92.08(9) 1_555 1_555 ?
C2 N1 H10 118.24(6) 1_555 1_565 ?
C2 N1 H11 71.70(5) 1_555 1_555 ?
C2 N1 C6 88.57(6) 1_555 1_555 ?
C2 N1 H12 104.75(5) 1_555 1_565 ?
C2 N1 H13 71.00(4) 1_555 1_555 ?
C2 N1 C9 92.66(8) 1_555 1_555 ?
C2 N1 H19 70.59(5) 1_555 1_555 ?
C2 N1 H20 114.73(5) 1_555 1_555 ?
C2 N1 C10 95.20(6) 1_555 1_555 ?
C2 N1 H21 79.16(5) 1_555 1_555 ?
C2 N1 H22 111.74(5) 1_555 1_565 ?
C2 N1 C13 130.56(9) 1_555 1_565 ?
C2 N1 H28 122.26(5) 1_555 1_565 ?
C2 N1 H29 119.11(5) 1_555 1_565 ?
C2 N1 C14 167.99(8) 1_555 1_565 ?
C2 N1 H30 166.38(5) 1_555 1_565 ?
C2 N1 H31 161.14(5) 1_555 1_565 ?
H3 N1 C5 97.12(7) 1_555 1_555 ?
H3 N1 H10 118.33(3) 1_555 1_565 ?
H3 N1 H11 72.30(3) 1_555 1_555 ?
H3 N1 C6 102.97(5) 1_555 1_555 ?
H3 N1 H12 121.16(3) 1_555 1_565 ?
H3 N1 H13 88.30(3) 1_555 1_555 ?
H3 N1 C9 73.87(6) 1_555 1_555 ?
H3 N1 H19 52.08(3) 1_555 1_555 ?
H3 N1 H20 96.43(3) 1_555 1_555 ?
H3 N1 C10 79.35(5) 1_555 1_555 ?
H3 N1 H21 65.52(3) 1_555 1_555 ?
H3 N1 H22 97.94(3) 1_555 1_565 ?
H3 N1 C13 138.53(7) 1_555 1_565 ?
H3 N1 H28 138.36(3) 1_555 1_565 ?
H3 N1 H29 120.59(3) 1_555 1_565 ?
H3 N1 C14 161.63(6) 1_555 1_565 ?
H3 N1 H30 170.27(3) 1_555 1_565 ?
H3 N1 H31 143.35(3) 1_555 1_565 ?
H4 N1 C5 70.28(7) 1_555 1_555 ?
H4 N1 H10 96.89(3) 1_555 1_565 ?
H4 N1 H11 51.38(3) 1_555 1_555 ?
H4 N1 C6 70.15(5) 1_555 1_555 ?
H4 N1 H12 88.61(3) 1_555 1_565 ?
H4 N1 H13 57.08(3) 1_555 1_555 ?
H4 N1 C9 96.18(7) 1_555 1_555 ?
H4 N1 H19 74.34(3) 1_555 1_555 ?
H4 N1 H20 113.55(3) 1_555 1_555 ?
H4 N1 C10 111.95(5) 1_555 1_555 ?
H4 N1 H21 98.19(3) 1_555 1_555 ?
H4 N1 H22 130.75(3) 1_555 1_565 ?
H4 N1 C13 141.35(7) 1_555 1_565 ?
H4 N1 H28 123.36(3) 1_555 1_565 ?
H4 N1 H29 137.57(3) 1_555 1_565 ?
H4 N1 C14 165.51(6) 1_555 1_565 ?
H4 N1 H30 146.88(3) 1_555 1_565 ?
H4 N1 H31 164.92(3) 1_555 1_565 ?
C5 N1 H12 46.71(6) 1_555 1_565 ?
C5 N1 H13 52.31(6) 1_555 1_555 ?
C5 N1 C9 97.82(11) 1_555 1_555 ?
C5 N1 H19 94.69(8) 1_555 1_555 ?
C5 N1 H20 88.95(7) 1_555 1_555 ?
C5 N1 C10 138.78(10) 1_555 1_555 ?
C5 N1 H21 147.29(8) 1_555 1_555 ?
C5 N1 H22 143.29(8) 1_555 1_565 ?
C5 N1 C13 118.33(11) 1_555 1_565 ?
C5 N1 H28 99.06(8) 1_555 1_565 ?
C5 N1 H29 140.13(8) 1_555 1_565 ?
C5 N1 C14 97.52(9) 1_555 1_565 ?
C5 N1 H30 78.26(7) 1_555 1_565 ?
C5 N1 H31 101.03(7) 1_555 1_565 ?
H10 N1 H11 46.99(4) 1_565 1_555 ?
H10 N1 C6 51.78(5) 1_565 1_555 ?
H10 N1 H12 53.49(3) 1_565 1_565 ?
H10 N1 H13 74.27(3) 1_565 1_555 ?
H10 N1 C9 86.41(7) 1_565 1_555 ?
H10 N1 H19 93.75(3) 1_565 1_555 ?
H10 N1 H20 69.66(3) 1_565 1_555 ?
H10 N1 C10 120.46(6) 1_565 1_555 ?
H10 N1 H21 136.77(3) 1_565 1_555 ?
H10 N1 H22 117.34(3) 1_565 1_565 ?
H10 N1 C13 102.52(8) 1_565 1_565 ?
H10 N1 H28 91.97(4) 1_565 1_565 ?
H10 N1 H29 120.80(4) 1_565 1_565 ?
H10 N1 C14 72.64(5) 1_565 1_565 ?
H10 N1 H30 54.62(3) 1_565 1_565 ?
H10 N1 H31 73.17(3) 1_565 1_565 ?
H11 N1 C6 52.80(5) 1_555 1_555 ?
H11 N1 H12 70.24(3) 1_555 1_565 ?
H11 N1 H13 62.20(3) 1_555 1_555 ?
H11 N1 C9 81.92(7) 1_555 1_555 ?
H11 N1 H19 72.11(3) 1_555 1_555 ?
H11 N1 H20 82.62(3) 1_555 1_555 ?
H11 N1 C10 122.02(6) 1_555 1_555 ?
H11 N1 H21 123.48(3) 1_555 1_555 ?
H11 N1 H22 136.87(3) 1_555 1_565 ?
H11 N1 C13 144.90(8) 1_555 1_565 ?
H11 N1 H28 124.18(4) 1_555 1_565 ?
H11 N1 H29 166.63(4) 1_555 1_565 ?
H11 N1 C14 119.56(6) 1_555 1_565 ?
H11 N1 H30 101.48(3) 1_555 1_565 ?
H11 N1 H31 115.87(3) 1_555 1_565 ?
C6 N1 C9 131.65(10) 1_555 1_555 ?
C6 N1 H19 124.85(6) 1_555 1_555 ?
C6 N1 H20 120.78(6) 1_555 1_555 ?
C6 N1 C10 172.15(8) 1_555 1_555 ?
C6 N1 H21 167.57(6) 1_555 1_555 ?
C6 N1 H22 159.09(6) 1_555 1_565 ?
C6 N1 C13 96.47(9) 1_555 1_565 ?
C6 N1 H28 72.64(5) 1_555 1_565 ?
C6 N1 H29 116.97(6) 1_555 1_565 ?
C6 N1 C14 95.37(7) 1_555 1_565 ?
C6 N1 H30 78.05(5) 1_555 1_565 ?
C6 N1 H31 109.86(5) 1_555 1_565 ?
H12 N1 C9 139.89(7) 1_565 1_555 ?
H12 N1 H19 141.39(3) 1_565 1_555 ?
H12 N1 H20 121.24(3) 1_565 1_555 ?
H12 N1 C10 159.45(5) 1_565 1_555 ?
H12 N1 H21 165.97(3) 1_565 1_555 ?
H12 N1 H22 139.88(3) 1_565 1_565 ?
H12 N1 C13 77.05(7) 1_565 1_565 ?
H12 N1 H28 54.03(3) 1_565 1_565 ?
H12 N1 H29 98.27(3) 1_565 1_565 ?
H12 N1 C14 77.13(5) 1_565 1_565 ?
H12 N1 H30 61.63(3) 1_565 1_565 ?
H12 N1 H31 94.11(3) 1_565 1_565 ?
H13 N1 C9 143.53(7) 1_555 1_555 ?
H13 N1 H19 127.14(3) 1_555 1_555 ?
H13 N1 H20 141.24(3) 1_555 1_555 ?
H13 N1 C10 164.09(5) 1_555 1_555 ?
H13 N1 H21 145.78(3) 1_555 1_555 ?
H13 N1 H22 160.93(3) 1_555 1_565 ?
H13 N1 C13 96.61(7) 1_555 1_565 ?
H13 N1 H28 72.32(3) 1_555 1_565 ?
H13 N1 H29 112.13(3) 1_555 1_565 ?
H13 N1 C14 109.47(5) 1_555 1_565 ?
H13 N1 H30 95.41(3) 1_555 1_565 ?
H13 N1 H31 127.83(3) 1_555 1_565 ?
C9 N1 H21 51.85(6) 1_555 1_555 ?
C9 N1 H22 55.30(6) 1_555 1_565 ?
C9 N1 C13 117.93(11) 1_555 1_565 ?
C9 N1 H28 140.27(8) 1_555 1_565 ?
C9 N1 H29 104.32(7) 1_555 1_565 ?
C9 N1 C14 93.18(9) 1_555 1_565 ?
C9 N1 H30 98.11(7) 1_555 1_565 ?
C9 N1 H31 72.31(6) 1_555 1_565 ?
H19 N1 C10 50.78(4) 1_555 1_555 ?
H19 N1 H21 52.64(3) 1_555 1_555 ?
H19 N1 H22 69.40(3) 1_555 1_565 ?
H19 N1 C13 136.11(8) 1_555 1_565 ?
H19 N1 H28 160.54(3) 1_555 1_565 ?
H19 N1 H29 117.80(3) 1_555 1_565 ?
H19 N1 C14 115.53(6) 1_555 1_565 ?
H19 N1 H30 119.31(3) 1_555 1_565 ?
H19 N1 H31 94.66(3) 1_555 1_565 ?
H20 N1 C10 51.37(4) 1_555 1_555 ?
H20 N1 H21 67.16(3) 1_555 1_555 ?
H20 N1 H22 56.22(3) 1_555 1_565 ?
H20 N1 C13 104.50(8) 1_555 1_565 ?
H20 N1 H28 121.89(3) 1_555 1_565 ?
H20 N1 H29 98.41(3) 1_555 1_565 ?
H20 N1 C14 72.84(5) 1_555 1_565 ?
H20 N1 H30 75.07(3) 1_555 1_565 ?
H20 N1 H31 52.75(3) 1_555 1_565 ?
C10 N1 C13 86.32(9) 1_555 1_565 ?
C10 N1 H28 110.73(5) 1_555 1_565 ?
C10 N1 H29 67.03(5) 1_555 1_565 ?
C10 N1 C14 82.33(6) 1_555 1_565 ?
C10 N1 H30 98.39(5) 1_555 1_565 ?
C10 N1 H31 66.02(4) 1_555 1_565 ?
H21 N1 C13 90.13(7) 1_555 1_565 ?
H21 N1 H28 112.34(3) 1_555 1_565 ?
H21 N1 H29 68.46(3) 1_555 1_565 ?
H21 N1 C14 96.29(5) 1_555 1_565 ?
H21 N1 H30 114.11(3) 1_555 1_565 ?
H21 N1 H31 82.52(3) 1_555 1_565 ?
H22 N1 C13 66.88(7) 1_565 1_565 ?
H22 N1 H28 91.46(3) 1_565 1_565 ?
H22 N1 H29 49.37(3) 1_565 1_565 ?
H22 N1 C14 63.74(4) 1_565 1_565 ?
H22 N1 H30 81.41(3) 1_565 1_565 ?
H22 N1 H31 50.39(3) 1_565 1_565 ?
C13 N1 H30 50.03(6) 1_565 1_565 ?
C13 N1 H31 53.47(6) 1_565 1_565 ?
H28 N1 C14 49.09(5) 1_565 1_565 ?
H28 N1 H30 51.31(3) 1_565 1_565 ?
H28 N1 H31 69.28(3) 1_565 1_565 ?
H29 N1 C14 49.13(5) 1_565 1_565 ?
H29 N1 H30 66.21(3) 1_565 1_565 ?
H29 N1 H31 56.68(3) 1_565 1_565 ?
N1 C1 H1 117.60(9) 1_555 1_555 ?
N1 C1 H2 124.00(10) 1_555 1_555 ?
N1 C1 C2 108.64(10) 1_555 1_555 ?
N1 C1 H3 103.47(7) 1_555 1_555 ?
N1 C1 H4 95.70(7) 1_555 1_555 ?
N1 C1 C3 142.72(9) 1_555 1_555 ?
N1 C1 H5 156.83(7) 1_555 1_555 ?
N1 C1 H6 145.48(7) 1_555 1_555 ?
N1 C1 H11 45.55(6) 1_555 1_555 ?
N1 C1 C6 55.94(7) 1_555 1_555 ?
N1 C1 H13 76.55(6) 1_555 1_555 ?
N1 C1 H19 52.82(6) 1_555 1_555 ?
N1 C1 C10 57.62(7) 1_555 1_555 ?
N1 C1 H21 79.11(6) 1_555 1_555 ?
N1 C1 H28 56.69(6) 1_555 1_565 ?
N1 C1 H29 61.94(6) 1_555 1_565 ?
H1 C1 H2 105.31(7) 1_555 1_555 ?
H1 C1 C2 99.11(9) 1_555 1_555 ?
H1 C1 H3 119.11(5) 1_555 1_555 ?
H1 C1 H4 89.05(5) 1_555 1_555 ?
H1 C1 C3 73.94(7) 1_555 1_555 ?
H1 C1 H5 78.51(5) 1_555 1_555 ?
H1 C1 H6 53.41(5) 1_555 1_555 ?
H1 C1 C5 99.16(8) 1_555 1_555 ?
H1 C1 H11 105.28(5) 1_555 1_555 ?
H1 C1 C6 68.49(7) 1_555 1_555 ?
H1 C1 H13 50.62(5) 1_555 1_555 ?
H1 C1 C9 150.32(8) 1_555 1_555 ?
H1 C1 H19 158.85(5) 1_555 1_555 ?
H1 C1 C10 155.15(8) 1_555 1_555 ?
H1 C1 H21 150.83(5) 1_555 1_555 ?
H1 C1 C13 94.78(8) 1_555 1_565 ?
H1 C1 H28 72.29(5) 1_555 1_565 ?
H1 C1 H29 98.66(5) 1_555 1_565 ?
H2 C1 C2 97.50(9) 1_555 1_555 ?
H2 C1 H3 83.31(5) 1_555 1_555 ?
H2 C1 H4 120.24(5) 1_555 1_555 ?
H2 C1 C3 80.86(8) 1_555 1_555 ?
H2 C1 H5 60.57(5) 1_555 1_555 ?
H2 C1 H6 88.87(5) 1_555 1_555 ?
H2 C1 C5 153.48(9) 1_555 1_555 ?
H2 C1 H11 147.75(5) 1_555 1_555 ?
H2 C1 C6 169.15(9) 1_555 1_555 ?
H2 C1 H13 155.83(5) 1_555 1_555 ?
H2 C1 C9 100.98(7) 1_555 1_555 ?
H2 C1 H19 94.59(5) 1_555 1_555 ?
H2 C1 C10 68.14(7) 1_555 1_555 ?
H2 C1 H21 48.43(5) 1_555 1_555 ?
H2 C1 C13 102.26(8) 1_555 1_565 ?
H2 C1 H28 111.10(5) 1_555 1_565 ?
H2 C1 H29 78.24(5) 1_555 1_565 ?
C2 C1 H5 49.76(6) 1_555 1_555 ?
C2 C1 H6 50.81(6) 1_555 1_555 ?
C2 C1 C5 88.46(8) 1_555 1_555 ?
C2 C1 H11 67.72(6) 1_555 1_555 ?
C2 C1 C6 92.38(8) 1_555 1_555 ?
C2 C1 H13 85.84(7) 1_555 1_555 ?
C2 C1 C9 90.79(8) 1_555 1_555 ?
C2 C1 H19 70.75(6) 1_555 1_555 ?
C2 C1 C10 105.46(8) 1_555 1_555 ?
C2 C1 H21 97.26(7) 1_555 1_555 ?
C2 C1 C13 151.87(10) 1_555 1_565 ?
C2 C1 H28 151.34(7) 1_555 1_565 ?
C2 C1 H29 162.22(7) 1_555 1_565 ?
H3 C1 C3 47.53(4) 1_555 1_555 ?
H3 C1 H5 53.40(3) 1_555 1_555 ?
H3 C1 H6 67.01(3) 1_555 1_555 ?
H3 C1 C5 93.73(5) 1_555 1_555 ?
H3 C1 H11 73.08(3) 1_555 1_555 ?
H3 C1 C6 107.44(5) 1_555 1_555 ?
H3 C1 H13 105.52(3) 1_555 1_555 ?
H3 C1 C9 77.17(4) 1_555 1_555 ?
H3 C1 H19 55.44(3) 1_555 1_555 ?
H3 C1 C10 84.67(4) 1_555 1_555 ?
H3 C1 H21 75.33(3) 1_555 1_555 ?
H3 C1 C13 143.20(6) 1_555 1_565 ?
H3 C1 H28 159.57(3) 1_555 1_565 ?
H3 C1 H29 141.22(3) 1_555 1_565 ?
H4 C1 C3 47.46(4) 1_555 1_555 ?
H4 C1 H5 66.61(3) 1_555 1_555 ?
H4 C1 H6 54.30(3) 1_555 1_555 ?
H4 C1 C5 69.59(4) 1_555 1_555 ?
H4 C1 H11 50.60(3) 1_555 1_555 ?
H4 C1 C6 69.44(4) 1_555 1_555 ?
H4 C1 H13 63.84(3) 1_555 1_555 ?
H4 C1 C9 89.48(5) 1_555 1_555 ?
H4 C1 H19 74.53(3) 1_555 1_555 ?
H4 C1 C10 115.21(5) 1_555 1_555 ?
H4 C1 H21 114.16(3) 1_555 1_555 ?
H4 C1 C13 134.62(6) 1_555 1_565 ?
H4 C1 H28 128.39(3) 1_555 1_565 ?
H4 C1 H29 157.46(3) 1_555 1_565 ?
C3 C1 C5 116.25(6) 1_555 1_555 ?
C3 C1 H11 98.06(4) 1_555 1_555 ?
C3 C1 C6 105.11(6) 1_555 1_555 ?
C3 C1 H13 88.67(5) 1_555 1_555 ?
C3 C1 C9 124.37(6) 1_555 1_555 ?
C3 C1 H19 102.88(4) 1_555 1_555 ?
C3 C1 C10 125.97(6) 1_555 1_555 ?
C3 C1 H21 108.08(5) 1_555 1_555 ?
C3 C1 C13 168.71(8) 1_555 1_565 ?
C3 C1 H28 146.07(6) 1_555 1_565 ?
C3 C1 H29 155.07(6) 1_555 1_565 ?
H5 C1 C5 136.16(5) 1_555 1_555 ?
H5 C1 H11 116.69(2) 1_555 1_555 ?
H5 C1 C6 124.50(4) 1_555 1_555 ?
H5 C1 H13 106.28(3) 1_555 1_555 ?
H5 C1 C9 127.42(5) 1_555 1_555 ?
H5 C1 H19 106.04(2) 1_555 1_555 ?
H5 C1 C10 114.92(4) 1_555 1_555 ?
H5 C1 H21 94.19(2) 1_555 1_555 ?
H5 C1 C13 158.15(6) 1_555 1_565 ?
H5 C1 H28 146.11(3) 1_555 1_565 ?
H5 C1 H29 135.61(3) 1_555 1_565 ?
H6 C1 C5 114.30(5) 1_555 1_555 ?
H6 C1 H11 101.32(2) 1_555 1_555 ?
H6 C1 C6 93.95(4) 1_555 1_555 ?
H6 C1 H13 74.67(3) 1_555 1_555 ?
H6 C1 C9 141.46(5) 1_555 1_555 ?
H6 C1 H19 121.35(2) 1_555 1_555 ?
H6 C1 C10 145.69(4) 1_555 1_555 ?
H6 C1 H21 125.91(2) 1_555 1_555 ?
H6 C1 C13 148.18(6) 1_555 1_565 ?
H6 C1 H28 125.53(3) 1_555 1_565 ?
H6 C1 H29 145.06(3) 1_555 1_565 ?
C5 C1 H13 50.01(4) 1_555 1_555 ?
C5 C1 C9 52.93(5) 1_555 1_555 ?
C5 C1 H19 62.94(4) 1_555 1_555 ?
C5 C1 C10 85.35(5) 1_555 1_555 ?
C5 C1 H21 105.27(4) 1_555 1_555 ?
C5 C1 C13 65.15(6) 1_555 1_565 ?
C5 C1 H28 66.80(4) 1_555 1_565 ?
C5 C1 H29 88.21(5) 1_555 1_565 ?
H11 C1 H13 55.12(2) 1_555 1_555 ?
H11 C1 C9 53.04(4) 1_555 1_555 ?
H11 C1 H19 53.95(2) 1_555 1_555 ?
H11 C1 C10 87.72(4) 1_555 1_555 ?
H11 C1 H21 103.22(2) 1_555 1_555 ?
H11 C1 C13 85.10(5) 1_555 1_565 ?
H11 C1 H28 87.81(3) 1_555 1_565 ?
H11 C1 H29 106.86(3) 1_555 1_565 ?
C6 C1 C9 83.29(5) 1_555 1_555 ?
C6 C1 H19 92.88(4) 1_555 1_555 ?
C6 C1 C10 113.49(6) 1_555 1_555 ?
C6 C1 H21 134.69(5) 1_555 1_555 ?
C6 C1 C13 70.16(6) 1_555 1_565 ?
C6 C1 H28 58.96(4) 1_555 1_565 ?
C6 C1 H29 93.63(5) 1_555 1_565 ?
H13 C1 C9 102.91(5) 1_555 1_555 ?
H13 C1 H19 109.02(3) 1_555 1_555 ?
H13 C1 C10 134.12(5) 1_555 1_555 ?
H13 C1 H21 155.14(3) 1_555 1_555 ?
H13 C1 C13 84.25(5) 1_555 1_565 ?
H13 C1 H28 67.40(3) 1_555 1_565 ?
H13 C1 H29 105.18(3) 1_555 1_565 ?
C9 C1 H21 52.55(4) 1_555 1_555 ?
C9 C1 C13 66.04(6) 1_555 1_565 ?
C9 C1 H28 85.64(4) 1_555 1_565 ?
C9 C1 H29 73.35(4) 1_555 1_565 ?
H19 C1 H21 50.30(2) 1_555 1_555 ?
H19 C1 C13 87.77(5) 1_555 1_565 ?
H19 C1 H28 107.41(3) 1_555 1_565 ?
H19 C1 H29 92.23(3) 1_555 1_565 ?
C10 C1 C13 64.79(6) 1_555 1_565 ?
C10 C1 H28 87.46(4) 1_555 1_565 ?
C10 C1 H29 56.85(4) 1_555 1_565 ?
H21 C1 C13 81.54(5) 1_555 1_565 ?
H21 C1 H28 102.92(3) 1_555 1_565 ?
H21 C1 H29 66.87(3) 1_555 1_565 ?
N1 H1 H2 69.30(4) 1_555 1_555 ?
N1 H1 C2 71.81(5) 1_555 1_555 ?
N1 H1 H3 69.77(3) 1_555 1_555 ?
N1 H1 H4 74.78(4) 1_555 1_555 ?
N1 H1 C3 110.80(6) 1_555 1_555 ?
N1 H1 H5 116.28(4) 1_555 1_555 ?
N1 H1 H6 132.45(4) 1_555 1_555 ?
N1 H1 C6 59.27(4) 1_555 1_555 ?
N1 H1 H13 78.89(4) 1_555 1_555 ?
N1 H1 H28 55.31(3) 1_555 1_565 ?
N1 H1 H29 50.41(3) 1_555 1_565 ?
C1 H1 C2 49.94(8) 1_555 1_555 ?
C1 H1 H4 66.59(7) 1_555 1_555 ?
C1 H1 C3 82.30(9) 1_555 1_555 ?
C1 H1 H5 81.52(7) 1_555 1_555 ?
C1 H1 H6 107.13(7) 1_555 1_555 ?
C1 H1 C5 59.24(7) 1_555 1_555 ?
C1 H1 C6 91.17(9) 1_555 1_555 ?
C1 H1 H13 107.66(7) 1_555 1_555 ?
C1 H1 C13 59.51(8) 1_555 1_565 ?
C1 H1 H28 83.95(7) 1_555 1_565 ?
C1 H1 H29 60.03(6) 1_555 1_565 ?
H2 H1 C2 64.57(4) 1_555 1_555 ?
H2 H1 H3 54.7983(20) 1_555 1_555 ?
H2 H1 H4 88.283(2) 1_555 1_555 ?
H2 H1 C3 75.14(4) 1_555 1_555 ?
H2 H1 H5 62.536(2) 1_555 1_555 ?
H2 H1 H6 95.906(3) 1_555 1_555 ?
H2 H1 C5 95.89(4) 1_555 1_555 ?
H2 H1 C6 127.72(5) 1_555 1_555 ?
H2 H1 H13 144.729(4) 1_555 1_555 ?
H2 H1 C13 73.88(4) 1_555 1_565 ?
H2 H1 H28 95.663(3) 1_555 1_565 ?
H2 H1 H29 60.775(2) 1_555 1_565 ?
C2 H1 H5 51.32(3) 1_555 1_555 ?
C2 H1 H6 61.29(4) 1_555 1_555 ?
C2 H1 C5 70.71(5) 1_555 1_555 ?
C2 H1 C6 89.97(6) 1_555 1_555 ?
C2 H1 H13 91.72(5) 1_555 1_555 ?
C2 H1 C13 105.87(6) 1_555 1_565 ?
C2 H1 H28 127.10(5) 1_555 1_565 ?
C2 H1 H29 109.96(4) 1_555 1_565 ?
H3 H1 H5 49.1167(17) 1_555 1_555 ?
H3 H1 H6 65.297(2) 1_555 1_555 ?
H3 H1 C5 73.94(3) 1_555 1_555 ?
H3 H1 C6 96.71(4) 1_555 1_555 ?
H3 H1 H13 100.487(2) 1_555 1_555 ?
H3 H1 C13 101.42(4) 1_555 1_565 ?
H3 H1 H28 124.529(5) 1_555 1_565 ?
H3 H1 H29 102.664(4) 1_555 1_565 ?
H4 H1 C3 46.47(3) 1_555 1_555 ?
H4 H1 H5 64.957(2) 1_555 1_555 ?
H4 H1 H6 59.368(2) 1_555 1_555 ?
H4 H1 C5 61.06(3) 1_555 1_555 ?
H4 H1 C6 70.60(3) 1_555 1_555 ?
H4 H1 H13 68.5037(19) 1_555 1_555 ?
H4 H1 C13 110.78(4) 1_555 1_565 ?
H4 H1 H28 123.917(5) 1_555 1_565 ?
H4 H1 H29 122.840(4) 1_555 1_565 ?
C3 H1 C5 106.80(5) 1_555 1_555 ?
C3 H1 C6 113.83(6) 1_555 1_555 ?
C3 H1 H13 103.54(4) 1_555 1_555 ?
C3 H1 C13 141.81(7) 1_555 1_565 ?
C3 H1 H28 165.88(5) 1_555 1_565 ?
C3 H1 H29 135.63(4) 1_555 1_565 ?
H5 H1 C5 122.03(4) 1_555 1_555 ?
H5 H1 C6 134.15(4) 1_555 1_555 ?
H5 H1 H13 123.416(3) 1_555 1_555 ?
H5 H1 C13 136.12(4) 1_555 1_565 ?
H5 H1 H28 157.360(5) 1_555 1_565 ?
H5 H1 H29 122.123(4) 1_555 1_565 ?
H6 H1 C5 118.61(4) 1_555 1_555 ?
H6 H1 C6 111.19(4) 1_555 1_555 ?
H6 H1 H13 94.447(2) 1_555 1_555 ?
H6 H1 C13 166.62(5) 1_555 1_565 ?
H6 H1 H28 168.078(5) 1_555 1_565 ?
H6 H1 H29 155.294(5) 1_555 1_565 ?
C5 H1 H13 50.00(3) 1_555 1_555 ?
C5 H1 C13 55.54(4) 1_555 1_565 ?
C5 H1 H28 62.88(3) 1_555 1_565 ?
C5 H1 H29 74.87(3) 1_555 1_565 ?
C6 H1 C13 70.53(5) 1_555 1_565 ?
C6 H1 H28 63.18(3) 1_555 1_565 ?
C6 H1 H29 91.02(3) 1_555 1_565 ?
H13 H1 C13 89.48(4) 1_555 1_565 ?
H13 H1 H28 77.629(2) 1_555 1_565 ?
H13 H1 H29 109.339(3) 1_555 1_565 ?
N1 H2 H1 65.59(4) 1_555 1_555 ?
N1 H2 C2 71.10(5) 1_555 1_555 ?
N1 H2 H3 80.91(4) 1_555 1_555 ?
N1 H2 H4 64.73(3) 1_555 1_555 ?
N1 H2 C3 104.68(6) 1_555 1_555 ?
N1 H2 H5 128.27(5) 1_555 1_555 ?
N1 H2 H6 104.24(4) 1_555 1_555 ?
N1 H2 H7 117.91(4) 1_555 2_556 ?
N1 H2 H19 46.92(3) 1_555 1_555 ?
N1 H2 C10 58.28(4) 1_555 1_555 ?
N1 H2 H21 82.61(4) 1_555 1_555 ?
N1 H2 H22 63.67(3) 1_555 1_565 ?
N1 H2 H29 55.99(3) 1_555 1_565 ?
C1 H2 C2 51.23(8) 1_555 1_555 ?
C1 H2 H3 71.76(7) 1_555 1_555 ?
C1 H2 C3 76.13(9) 1_555 1_555 ?
C1 H2 H5 99.73(7) 1_555 1_555 ?
C1 H2 H6 71.97(7) 1_555 1_555 ?
C1 H2 H7 145.66(8) 1_555 2_556 ?
C1 H2 C9 57.62(7) 1_555 1_555 ?
C1 H2 H19 65.47(6) 1_555 1_555 ?
C1 H2 C10 89.91(9) 1_555 1_555 ?
C1 H2 H21 112.65(8) 1_555 1_555 ?
C1 H2 H22 96.49(7) 1_555 1_565 ?
C1 H2 C13 53.96(8) 1_555 1_565 ?
C1 H2 H28 50.78(6) 1_555 1_565 ?
C1 H2 H29 77.80(7) 1_555 1_565 ?
H1 H2 C2 66.38(4) 1_555 1_555 ?
H1 H2 H3 91.559(3) 1_555 1_555 ?
H1 H2 H4 58.0699(19) 1_555 1_555 ?
H1 H2 C3 67.17(4) 1_555 1_555 ?
H1 H2 H5 84.189(3) 1_555 1_555 ?
H1 H2 H6 52.643(2) 1_555 1_555 ?
H1 H2 H7 134.293(4) 1_555 2_556 ?
H1 H2 C9 94.30(4) 1_555 1_555 ?
H1 H2 H19 102.758(4) 1_555 1_555 ?
H1 H2 C10 123.34(5) 1_555 1_555 ?
H1 H2 H21 148.137(4) 1_555 1_555 ?
H1 H2 H22 122.215(4) 1_555 1_565 ?
H1 H2 C13 66.82(4) 1_555 1_565 ?
H1 H2 H28 52.331(2) 1_555 1_565 ?
H1 H2 H29 83.887(3) 1_555 1_565 ?
C2 H2 H5 58.26(4) 1_555 1_555 ?
C2 H2 H6 48.06(3) 1_555 1_555 ?
C2 H2 H7 158.92(5) 1_555 2_556 ?
C2 H2 C9 71.99(5) 1_555 1_555 ?
C2 H2 H19 60.72(4) 1_555 1_555 ?
C2 H2 C10 100.59(6) 1_555 1_555 ?
C2 H2 H21 106.24(5) 1_555 1_555 ?
C2 H2 H22 118.23(5) 1_555 1_565 ?
C2 H2 C13 102.91(6) 1_555 1_565 ?
C2 H2 H28 101.99(4) 1_555 1_565 ?
C2 H2 H29 126.47(5) 1_555 1_565 ?
H3 H2 C3 46.17(3) 1_555 1_555 ?
H3 H2 H5 57.971(2) 1_555 1_555 ?
H3 H2 H6 63.255(2) 1_555 1_555 ?
H3 H2 H7 133.907(4) 1_555 2_556 ?
H3 H2 C9 68.38(3) 1_555 1_555 ?
H3 H2 H19 50.7131(18) 1_555 1_555 ?
H3 H2 C10 87.05(3) 1_555 1_555 ?
H3 H2 H21 85.001(2) 1_555 1_555 ?
H3 H2 H22 105.761(3) 1_555 1_565 ?
H3 H2 C13 115.46(4) 1_555 1_565 ?
H3 H2 H28 120.853(4) 1_555 1_565 ?
H3 H2 H29 134.487(5) 1_555 1_565 ?
H4 H2 H5 63.6812(19) 1_555 1_555 ?
H4 H2 H6 48.0317(15) 1_555 1_555 ?
H4 H2 H7 167.634(3) 1_555 2_556 ?
H4 H2 C9 70.25(3) 1_555 1_555 ?
H4 H2 H19 62.0902(18) 1_555 1_555 ?
H4 H2 C10 101.48(3) 1_555 1_555 ?
H4 H2 H21 110.910(3) 1_555 1_555 ?
H4 H2 H22 117.777(3) 1_555 1_565 ?
H4 H2 C13 94.98(3) 1_555 1_565 ?
H4 H2 H28 92.961(3) 1_555 1_565 ?
H4 H2 H29 118.846(4) 1_555 1_565 ?
C3 H2 H7 137.16(4) 1_555 2_556 ?
C3 H2 C9 108.88(5) 1_555 1_555 ?
C3 H2 H19 95.11(3) 1_555 1_555 ?
C3 H2 C10 133.21(6) 1_555 1_555 ?
C3 H2 H21 126.63(4) 1_555 1_555 ?
C3 H2 H22 151.93(4) 1_555 1_565 ?
C3 H2 C13 129.00(6) 1_555 1_565 ?
C3 H2 H28 118.63(4) 1_555 1_565 ?
C3 H2 H29 150.62(5) 1_555 1_565 ?
H5 H2 H7 113.306(3) 1_555 2_556 ?
H5 H2 C9 126.22(4) 1_555 1_555 ?
H5 H2 H19 108.353(3) 1_555 1_555 ?
H5 H2 C10 137.49(4) 1_555 1_555 ?
H5 H2 H21 119.465(3) 1_555 1_555 ?
H5 H2 H22 151.078(4) 1_555 1_565 ?
H5 H2 C13 150.55(4) 1_555 1_565 ?
H5 H2 H28 136.110(4) 1_555 1_565 ?
H5 H2 H29 162.971(5) 1_555 1_565 ?
H6 H2 H7 135.571(3) 1_555 2_556 ?
H6 H2 C9 118.10(3) 1_555 1_555 ?
H6 H2 H19 108.761(3) 1_555 1_555 ?
H6 H2 C10 148.59(4) 1_555 1_555 ?
H6 H2 H21 145.347(4) 1_555 1_555 ?
H6 H2 H22 165.775(4) 1_555 1_565 ?
H6 H2 C13 118.89(4) 1_555 1_565 ?
H6 H2 H28 104.926(3) 1_555 1_565 ?
H6 H2 H29 135.788(4) 1_555 1_565 ?
H7 H2 C9 105.66(3) 2_556 1_555 ?
H7 H2 H19 110.001(3) 2_556 1_555 ?
H7 H2 C10 72.36(3) 2_556 1_555 ?
H7 H2 H21 59.1337(17) 2_556 1_555 ?
H7 H2 H22 58.3991(17) 2_556 1_565 ?
H7 H2 C13 91.71(4) 2_556 1_565 ?
H7 H2 H28 96.514(2) 2_556 1_565 ?
H7 H2 H29 67.870(2) 2_556 1_565 ?
C9 H2 H21 55.03(3) 1_555 1_555 ?
C9 H2 H22 47.67(2) 1_555 1_565 ?
C9 H2 C13 54.87(4) 1_555 1_565 ?
C9 H2 H28 69.88(3) 1_555 1_565 ?
C9 H2 H29 66.88(3) 1_555 1_565 ?
H19 H2 H21 51.7566(18) 1_555 1_555 ?
H19 H2 H22 57.8166(18) 1_555 1_565 ?
H19 H2 C13 74.88(3) 1_555 1_565 ?
H19 H2 H28 89.199(2) 1_555 1_565 ?
H19 H2 H29 86.149(3) 1_555 1_565 ?
C10 H2 C13 63.18(4) 1_555 1_565 ?
C10 H2 H28 80.76(3) 1_555 1_565 ?
C10 H2 H29 59.54(3) 1_555 1_565 ?
H21 H2 C13 86.13(4) 1_555 1_565 ?
H21 H2 H28 103.164(3) 1_555 1_565 ?
H21 H2 H29 76.358(2) 1_555 1_565 ?
H22 H2 C13 55.84(3) 1_565 1_565 ?
H22 H2 H28 72.1099(20) 1_565 1_565 ?
H22 H2 H29 45.0275(18) 1_565 1_565 ?
N1 C2 H1 56.38(4) 1_555 1_555 ?
N1 C2 H2 58.42(5) 1_555 1_555 ?
N1 C2 H3 113.13(9) 1_555 1_555 ?
N1 C2 H4 101.68(8) 1_555 1_555 ?
N1 C2 C3 142.98(9) 1_555 1_555 ?
N1 C2 H5 133.14(5) 1_555 1_555 ?
N1 C2 H6 126.01(5) 1_555 1_555 ?
N1 C2 C4 170.13(7) 1_555 1_555 ?
N1 C2 H8 169.78(5) 1_555 1_555 ?
N1 C2 H9 155.91(5) 1_555 1_555 ?
N1 C2 H11 48.28(4) 1_555 1_555 ?
N1 C2 H13 59.35(4) 1_555 1_555 ?
N1 C2 H19 51.01(4) 1_555 1_555 ?
C1 C2 H3 124.93(11) 1_555 1_555 ?
C1 C2 H4 122.82(10) 1_555 1_555 ?
C1 C2 C3 110.16(10) 1_555 1_555 ?
C1 C2 H5 99.83(7) 1_555 1_555 ?
C1 C2 H6 98.32(7) 1_555 1_555 ?
C1 C2 C4 139.83(9) 1_555 1_555 ?
C1 C2 H8 150.57(7) 1_555 1_555 ?
C1 C2 H9 148.44(7) 1_555 1_555 ?
C1 C2 C5 58.59(7) 1_555 1_555 ?
C1 C2 H11 79.51(6) 1_555 1_555 ?
C1 C2 H13 63.13(6) 1_555 1_555 ?
C1 C2 C9 56.45(6) 1_555 1_555 ?
C1 C2 H19 76.11(6) 1_555 1_555 ?
H1 C2 H2 49.06(4) 1_555 1_555 ?
H1 C2 H3 151.56(6) 1_555 1_555 ?
H1 C2 H4 106.43(6) 1_555 1_555 ?
H1 C2 C3 87.22(7) 1_555 1_555 ?
H1 C2 H5 86.77(3) 1_555 1_555 ?
H1 C2 H6 70.19(4) 1_555 1_555 ?
H1 C2 C4 114.60(5) 1_555 1_555 ?
H1 C2 H8 132.70(3) 1_555 1_555 ?
H1 C2 H9 117.83(3) 1_555 1_555 ?
H1 C2 C5 67.78(4) 1_555 1_555 ?
H1 C2 H11 87.51(3) 1_555 1_555 ?
H1 C2 H13 46.49(3) 1_555 1_555 ?
H1 C2 C9 84.51(5) 1_555 1_555 ?
H1 C2 H19 105.41(3) 1_555 1_555 ?
H2 C2 H3 102.51(6) 1_555 1_555 ?
H2 C2 H4 153.54(6) 1_555 1_555 ?
H2 C2 C3 93.92(7) 1_555 1_555 ?
H2 C2 H5 75.93(3) 1_555 1_555 ?
H2 C2 H6 93.17(4) 1_555 1_555 ?
H2 C2 C4 120.07(5) 1_555 1_555 ?
H2 C2 H8 121.99(3) 1_555 1_555 ?
H2 C2 H9 138.93(3) 1_555 1_555 ?
H2 C2 C5 87.30(5) 1_555 1_555 ?
H2 C2 H11 106.70(3) 1_555 1_555 ?
H2 C2 H13 92.09(3) 1_555 1_555 ?
H2 C2 C9 67.14(4) 1_555 1_555 ?
H2 C2 H19 79.32(3) 1_555 1_555 ?
H3 C2 H4 101.57(7) 1_555 1_555 ?
H3 C2 C3 95.55(9) 1_555 1_555 ?
H3 C2 H5 84.88(6) 1_555 1_555 ?
H3 C2 H6 117.71(6) 1_555 1_555 ?
H3 C2 C4 76.71(8) 1_555 1_555 ?
H3 C2 H8 56.69(6) 1_555 1_555 ?
H3 C2 H9 82.29(6) 1_555 1_555 ?
H3 C2 C5 117.84(8) 1_555 1_555 ?
H3 C2 H11 104.22(6) 1_555 1_555 ?
H3 C2 H13 156.33(6) 1_555 1_555 ?
H3 C2 C9 83.51(8) 1_555 1_555 ?
H3 C2 H19 63.09(6) 1_555 1_555 ?
H4 C2 C3 94.52(9) 1_555 1_555 ?
H4 C2 H5 117.17(6) 1_555 1_555 ?
H4 C2 H6 85.22(6) 1_555 1_555 ?
H4 C2 C4 76.26(7) 1_555 1_555 ?
H4 C2 H8 80.87(5) 1_555 1_555 ?
H4 C2 H9 55.69(5) 1_555 1_555 ?
H4 C2 C5 71.78(7) 1_555 1_555 ?
H4 C2 H11 56.31(6) 1_555 1_555 ?
H4 C2 H13 61.62(5) 1_555 1_555 ?
H4 C2 C9 105.10(8) 1_555 1_555 ?
H4 C2 H19 102.20(6) 1_555 1_555 ?
C3 C2 H8 45.50(5) 1_555 1_555 ?
C3 C2 H9 45.13(6) 1_555 1_555 ?
C3 C2 C5 145.53(9) 1_555 1_555 ?
C3 C2 H11 147.21(7) 1_555 1_555 ?
C3 C2 H13 102.01(7) 1_555 1_555 ?
C3 C2 C9 160.17(8) 1_555 1_555 ?
C3 C2 H19 154.96(7) 1_555 1_555 ?
H5 C2 H8 51.07(3) 1_555 1_555 ?
H5 C2 H9 63.78(3) 1_555 1_555 ?
H5 C2 C5 154.54(5) 1_555 1_555 ?
H5 C2 H11 169.45(3) 1_555 1_555 ?
H5 C2 H13 117.05(3) 1_555 1_555 ?
H5 C2 C9 137.60(5) 1_555 1_555 ?
H5 C2 H19 133.65(3) 1_555 1_555 ?
H6 C2 H8 63.86(3) 1_555 1_555 ?
H6 C2 H9 51.11(3) 1_555 1_555 ?
H6 C2 C5 122.85(5) 1_555 1_555 ?
H6 C2 H11 128.14(3) 1_555 1_555 ?
H6 C2 H13 79.39(3) 1_555 1_555 ?
H6 C2 C9 154.56(5) 1_555 1_555 ?
H6 C2 H19 172.33(3) 1_555 1_555 ?
C4 C2 C5 146.89(6) 1_555 1_555 ?
C4 C2 H11 132.05(5) 1_555 1_555 ?
C4 C2 H13 112.01(4) 1_555 1_555 ?
C4 C2 C9 159.97(6) 1_555 1_555 ?
C4 C2 H19 138.78(5) 1_555 1_555 ?
H8 C2 C5 150.51(5) 1_555 1_555 ?
H8 C2 H11 129.88(3) 1_555 1_555 ?
H8 C2 H13 129.35(2) 1_555 1_555 ?
H8 C2 C9 139.91(5) 1_555 1_555 ?
H8 C2 H19 118.84(3) 1_555 1_555 ?
H9 C2 C5 126.93(5) 1_555 1_555 ?
H9 C2 H11 111.56(3) 1_555 1_555 ?
H9 C2 H13 98.94(3) 1_555 1_555 ?
H9 C2 C9 152.74(5) 1_555 1_555 ?
H9 C2 H19 135.08(3) 1_555 1_555 ?
C5 C2 H19 58.89(4) 1_555 1_555 ?
H11 C2 H13 53.15(3) 1_555 1_555 ?
H11 C2 C9 50.37(4) 1_555 1_555 ?
H11 C2 H19 56.62(3) 1_555 1_555 ?
H13 C2 C9 85.19(4) 1_555 1_555 ?
H13 C2 H19 102.30(3) 1_555 1_555 ?
N1 H3 H2 45.83(2) 1_555 1_555 ?
N1 H3 C2 47.89(8) 1_555 1_555 ?
N1 H3 H4 68.34(4) 1_555 1_555 ?
N1 H3 C3 97.25(6) 1_555 1_555 ?
N1 H3 H5 105.27(4) 1_555 1_555 ?
N1 H3 H6 90.29(3) 1_555 1_555 ?
N1 H3 C4 128.82(5) 1_555 1_555 ?
N1 H3 H8 151.98(4) 1_555 1_555 ?
N1 H3 H9 123.35(4) 1_555 1_555 ?
N1 H3 H19 46.68(2) 1_555 1_555 ?
C1 H3 H4 68.87(4) 1_555 1_555 ?
C1 H3 C3 72.52(5) 1_555 1_555 ?
C1 H3 H5 77.74(4) 1_555 1_555 ?
C1 H3 H6 67.18(3) 1_555 1_555 ?
C1 H3 C4 107.21(6) 1_555 1_555 ?
C1 H3 H8 129.39(5) 1_555 1_555 ?
C1 H3 H9 109.93(4) 1_555 1_555 ?
C1 H3 H11 60.80(3) 1_555 1_555 ?
C1 H3 C9 52.36(4) 1_555 1_555 ?
C1 H3 H19 71.38(3) 1_555 1_555 ?
H1 H3 H4 58.0447(20) 1_555 1_555 ?
H1 H3 C3 55.95(3) 1_555 1_555 ?
H1 H3 H5 65.750(2) 1_555 1_555 ?
H1 H3 H6 49.8448(18) 1_555 1_555 ?
H1 H3 C4 89.81(3) 1_555 1_555 ?
H1 H3 H8 112.532(4) 1_555 1_555 ?
H1 H3 H9 92.276(3) 1_555 1_555 ?
H1 H3 H11 64.8132(19) 1_555 1_555 ?
H1 H3 C9 68.59(2) 1_555 1_555 ?
H1 H3 H19 87.742(3) 1_555 1_555 ?
H2 H3 C2 52.31(7) 1_555 1_555 ?
H2 H3 H4 91.365(2) 1_555 1_555 ?
H2 H3 C3 71.56(4) 1_555 1_555 ?
H2 H3 H5 65.763(2) 1_555 1_555 ?
H2 H3 H6 70.077(2) 1_555 1_555 ?
H2 H3 C4 105.96(4) 1_555 1_555 ?
H2 H3 H8 122.372(5) 1_555 1_555 ?
H2 H3 H9 117.171(4) 1_555 1_555 ?
H2 H3 H11 84.154(2) 1_555 1_555 ?
H2 H3 C9 61.37(3) 1_555 1_555 ?
H2 H3 H19 77.395(2) 1_555 1_555 ?
C2 H3 C3 52.29(8) 1_555 1_555 ?
C2 H3 H5 69.92(7) 1_555 1_555 ?
C2 H3 C4 80.93(9) 1_555 1_555 ?
C2 H3 H8 104.10(8) 1_555 1_555 ?
C2 H3 H9 78.30(7) 1_555 1_555 ?
C2 H3 H11 56.33(7) 1_555 1_555 ?
C2 H3 C9 75.50(9) 1_555 1_555 ?
C2 H3 H19 93.64(8) 1_555 1_555 ?
H4 H3 C3 65.13(4) 1_555 1_555 ?
H4 H3 H5 90.260(3) 1_555 1_555 ?
H4 H3 H6 56.669(2) 1_555 1_555 ?
H4 H3 C4 72.02(4) 1_555 1_555 ?
H4 H3 H8 89.128(3) 1_555 1_555 ?
H4 H3 H9 57.598(2) 1_555 1_555 ?
H4 H3 C9 87.58(4) 1_555 1_555 ?
H4 H3 H19 97.853(3) 1_555 1_555 ?
C3 H3 H8 56.87(3) 1_555 1_555 ?
C3 H3 H9 46.50(3) 1_555 1_555 ?
C3 H3 H11 104.53(4) 1_555 1_555 ?
C3 H3 C9 124.54(6) 1_555 1_555 ?
C3 H3 H19 143.69(5) 1_555 1_555 ?
H5 H3 H8 56.6096(20) 1_555 1_555 ?
H5 H3 H9 61.9579(18) 1_555 1_555 ?
H5 H3 H11 126.007(4) 1_555 1_555 ?
H5 H3 C9 127.00(4) 1_555 1_555 ?
H5 H3 H19 142.453(4) 1_555 1_555 ?
H6 H3 H8 62.7326(20) 1_555 1_555 ?
H6 H3 H9 47.0942(17) 1_555 1_555 ?
H6 H3 H11 95.388(3) 1_555 1_555 ?
H6 H3 C9 118.02(3) 1_555 1_555 ?
H6 H3 H19 136.956(4) 1_555 1_555 ?
C4 H3 H11 116.55(4) 1_555 1_555 ?
C4 H3 C9 156.23(6) 1_555 1_555 ?
C4 H3 H19 169.22(5) 1_555 1_555 ?
H8 H3 H11 129.755(4) 1_555 1_555 ?
H8 H3 C9 175.10(4) 1_555 1_555 ?
H8 H3 H19 159.048(4) 1_555 1_555 ?
H9 H3 H11 99.874(3) 1_555 1_555 ?
H9 H3 C9 145.06(4) 1_555 1_555 ?
H9 H3 H19 149.670(4) 1_555 1_555 ?
H11 H3 C9 45.92(2) 1_555 1_555 ?
H11 H3 H19 53.1035(15) 1_555 1_555 ?
N1 H4 H1 46.08(2) 1_555 1_555 ?
N1 H4 C2 56.51(8) 1_555 1_555 ?
N1 H4 H3 78.84(4) 1_555 1_555 ?
N1 H4 C3 102.55(6) 1_555 1_555 ?
N1 H4 H5 96.96(3) 1_555 1_555 ?
N1 H4 H6 105.16(4) 1_555 1_555 ?
N1 H4 C4 136.47(6) 1_555 1_555 ?
N1 H4 H8 134.81(4) 1_555 1_555 ?
N1 H4 H9 159.62(4) 1_555 1_555 ?
N1 H4 H11 46.61(3) 1_555 1_555 ?
N1 H4 C6 49.69(4) 1_555 1_555 ?
N1 H4 H13 59.39(3) 1_555 1_555 ?
N1 H4 H18 99.25(4) 1_555 1_555 ?
C1 H4 H3 69.36(4) 1_555 1_555 ?
C1 H4 C3 72.78(5) 1_555 1_555 ?
C1 H4 H5 67.98(3) 1_555 1_555 ?
C1 H4 H6 76.71(3) 1_555 1_555 ?
C1 H4 C4 107.61(6) 1_555 1_555 ?
C1 H4 H8 111.67(4) 1_555 1_555 ?
C1 H4 H9 129.76(5) 1_555 1_555 ?
C1 H4 C5 57.18(4) 1_555 1_555 ?
C1 H4 H11 76.30(3) 1_555 1_555 ?
C1 H4 C6 65.73(4) 1_555 1_555 ?
C1 H4 H13 64.76(3) 1_555 1_555 ?
C1 H4 H18 122.94(4) 1_555 1_555 ?
C1 H4 H19 59.17(3) 1_555 1_555 ?
H1 H4 C2 49.43(6) 1_555 1_555 ?
H1 H4 H3 88.160(3) 1_555 1_555 ?
H1 H4 C3 65.69(4) 1_555 1_555 ?
H1 H4 H5 65.0539(20) 1_555 1_555 ?
H1 H4 H6 60.042(2) 1_555 1_555 ?
H1 H4 C4 100.33(3) 1_555 1_555 ?
H1 H4 H8 112.256(4) 1_555 1_555 ?
H1 H4 H9 116.840(5) 1_555 1_555 ?
H1 H4 C5 64.36(3) 1_555 1_555 ?
H1 H4 H11 85.776(3) 1_555 1_555 ?
H1 H4 C6 58.71(3) 1_555 1_555 ?
H1 H4 H13 49.5235(16) 1_555 1_555 ?
H1 H4 H18 114.099(3) 1_555 1_555 ?
H1 H4 H19 82.964(2) 1_555 1_555 ?
H2 H4 H3 54.8221(19) 1_555 1_555 ?
H2 H4 C3 59.53(3) 1_555 1_555 ?
H2 H4 H5 53.1357(17) 1_555 1_555 ?
H2 H4 H6 69.5283(19) 1_555 1_555 ?
H2 H4 C4 92.57(3) 1_555 1_555 ?
H2 H4 H8 94.518(3) 1_555 1_555 ?
H2 H4 H9 115.975(4) 1_555 1_555 ?
H2 H4 C5 72.94(3) 1_555 1_555 ?
H2 H4 H11 90.203(3) 1_555 1_555 ?
H2 H4 C6 83.10(3) 1_555 1_555 ?
H2 H4 H13 80.479(2) 1_555 1_555 ?
H2 H4 H18 140.362(3) 1_555 1_555 ?
H2 H4 H19 59.6186(17) 1_555 1_555 ?
C2 H4 C3 52.59(8) 1_555 1_555 ?
C2 H4 H6 69.30(7) 1_555 1_555 ?
C2 H4 C4 80.99(9) 1_555 1_555 ?
C2 H4 H8 79.33(7) 1_555 1_555 ?
C2 H4 H9 104.83(8) 1_555 1_555 ?
C2 H4 C5 86.06(9) 1_555 1_555 ?
C2 H4 H11 100.10(8) 1_555 1_555 ?
C2 H4 C6 99.86(10) 1_555 1_555 ?
C2 H4 H13 97.53(8) 1_555 1_555 ?
C2 H4 H18 155.71(9) 1_555 1_555 ?
C2 H4 H19 57.88(7) 1_555 1_555 ?
H3 H4 C3 65.43(4) 1_555 1_555 ?
H3 H4 H5 56.084(2) 1_555 1_555 ?
H3 H4 H6 89.653(3) 1_555 1_555 ?
H3 H4 C4 72.38(4) 1_555 1_555 ?
H3 H4 H8 59.039(2) 1_555 1_555 ?
H3 H4 H9 90.815(3) 1_555 1_555 ?
H3 H4 C5 102.61(5) 1_555 1_555 ?
H3 H4 H11 103.792(3) 1_555 1_555 ?
H3 H4 C6 128.53(5) 1_555 1_555 ?
H3 H4 H13 133.939(3) 1_555 1_555 ?
H3 H4 H18 147.498(4) 1_555 1_555 ?
H3 H4 H19 50.0838(17) 1_555 1_555 ?
C3 H4 H8 47.29(3) 1_555 1_555 ?
C3 H4 H9 57.07(3) 1_555 1_555 ?
C3 H4 C5 128.87(7) 1_555 1_555 ?
C3 H4 H11 149.07(5) 1_555 1_555 ?
C3 H4 C6 120.46(6) 1_555 1_555 ?
C3 H4 H13 103.46(5) 1_555 1_555 ?
C3 H4 H18 144.30(5) 1_555 1_555 ?
C3 H4 H19 108.30(4) 1_555 1_555 ?
H5 H4 H8 47.2511(17) 1_555 1_555 ?
H5 H4 H9 62.8398(19) 1_555 1_555 ?
H5 H4 C5 125.13(4) 1_555 1_555 ?
H5 H4 H11 143.285(4) 1_555 1_555 ?
H5 H4 C6 122.68(4) 1_555 1_555 ?
H5 H4 H13 107.681(3) 1_555 1_555 ?
H5 H4 H18 154.032(4) 1_555 1_555 ?
H5 H4 H19 98.730(3) 1_555 1_555 ?
H6 H4 H8 62.3034(20) 1_555 1_555 ?
H6 H4 H9 56.8016(20) 1_555 1_555 ?
H6 H4 C5 122.43(4) 1_555 1_555 ?
H6 H4 H11 143.055(4) 1_555 1_555 ?
H6 H4 C6 102.99(4) 1_555 1_555 ?
H6 H4 H13 83.879(2) 1_555 1_555 ?
H6 H4 H18 121.567(4) 1_555 1_555 ?
H6 H4 H19 127.140(4) 1_555 1_555 ?
C4 H4 C5 164.36(6) 1_555 1_555 ?
C4 H4 H11 172.56(5) 1_555 1_555 ?
C4 H4 C6 145.04(6) 1_555 1_555 ?
C4 H4 H13 125.40(4) 1_555 1_555 ?
C4 H4 H18 122.46(4) 1_555 1_555 ?
C4 H4 H19 122.36(4) 1_555 1_555 ?
H8 H4 C5 161.64(4) 1_555 1_555 ?
H8 H4 H11 153.020(4) 1_555 1_555 ?
H8 H4 C6 164.75(4) 1_555 1_555 ?
H8 H4 H13 145.080(4) 1_555 1_555 ?
H8 H4 H18 124.821(3) 1_555 1_555 ?
H8 H4 H19 106.774(3) 1_555 1_555 ?
H9 H4 C5 166.57(5) 1_555 1_555 ?
H9 H4 H11 153.744(4) 1_555 1_555 ?
H9 H4 C6 137.73(4) 1_555 1_555 ?
H9 H4 H13 121.646(4) 1_555 1_555 ?
H9 H4 H18 98.835(3) 1_555 1_555 ?
H9 H4 H19 137.173(4) 1_555 1_555 ?
C5 H4 H13 47.71(3) 1_555 1_555 ?
C5 H4 H18 69.76(3) 1_555 1_555 ?
C5 H4 H19 55.46(3) 1_555 1_555 ?
H11 H4 H13 61.8990(18) 1_555 1_555 ?
H11 H4 H18 57.5683(16) 1_555 1_555 ?
H11 H4 H19 53.7727(16) 1_555 1_555 ?
C6 H4 H18 57.73(3) 1_555 1_555 ?
C6 H4 H19 85.08(3) 1_555 1_555 ?
H13 H4 H18 64.7150(18) 1_555 1_555 ?
H13 H4 H19 100.349(3) 1_555 1_555 ?
H18 H4 H19 106.998(3) 1_555 1_555 ?
C1 C3 H3 59.94(4) 1_555 1_555 ?
C1 C3 H4 59.76(5) 1_555 1_555 ?
C1 C3 H5 103.93(8) 1_555 1_555 ?
C1 C3 H6 102.69(8) 1_555 1_555 ?
C1 C3 C4 155.49(9) 1_555 1_555 ?
C1 C3 H7 177.16(6) 1_555 1_555 ?
C1 C3 H8 137.17(6) 1_555 1_555 ?
C1 C3 H9 136.44(6) 1_555 1_555 ?
H1 C3 C2 53.50(6) 1_555 1_555 ?
H1 C3 H3 82.69(3) 1_555 1_555 ?
H1 C3 H4 67.84(3) 1_555 1_555 ?
H1 C3 H5 106.84(5) 1_555 1_555 ?
H1 C3 H6 78.96(5) 1_555 1_555 ?
H1 C3 C4 160.89(7) 1_555 1_555 ?
H1 C3 H7 157.53(3) 1_555 1_555 ?
H1 C3 H8 158.89(3) 1_555 1_555 ?
H1 C3 H9 135.22(3) 1_555 1_555 ?
H2 C3 C2 48.99(6) 1_555 1_555 ?
H2 C3 H3 62.27(3) 1_555 1_555 ?
H2 C3 H4 79.64(3) 1_555 1_555 ?
H2 C3 H5 81.17(5) 1_555 1_555 ?
H2 C3 H6 110.13(5) 1_555 1_555 ?
H2 C3 C4 156.34(7) 1_555 1_555 ?
H2 C3 H7 158.75(3) 1_555 1_555 ?
H2 C3 H8 131.83(3) 1_555 1_555 ?
H2 C3 H9 154.63(3) 1_555 1_555 ?
C2 C3 H5 121.43(10) 1_555 1_555 ?
C2 C3 H6 122.95(10) 1_555 1_555 ?
C2 C3 C4 120.89(10) 1_555 1_555 ?
C2 C3 H7 142.63(7) 1_555 1_555 ?
C2 C3 H8 105.42(7) 1_555 1_555 ?
C2 C3 H9 105.84(7) 1_555 1_555 ?
H3 C3 H4 49.44(3) 1_555 1_555 ?
H3 C3 H5 103.74(5) 1_555 1_555 ?
H3 C3 H6 153.85(5) 1_555 1_555 ?
H3 C3 C4 98.26(7) 1_555 1_555 ?
H3 C3 H7 117.92(3) 1_555 1_555 ?
H3 C3 H8 77.24(3) 1_555 1_555 ?
H3 C3 H9 94.83(3) 1_555 1_555 ?
H4 C3 H5 152.41(6) 1_555 1_555 ?
H4 C3 H6 105.77(5) 1_555 1_555 ?
H4 C3 C4 98.18(7) 1_555 1_555 ?
H4 C3 H7 117.50(3) 1_555 1_555 ?
H4 C3 H8 93.77(3) 1_555 1_555 ?
H4 C3 H9 76.78(3) 1_555 1_555 ?
H5 C3 H6 99.34(7) 1_555 1_555 ?
H5 C3 C4 91.55(9) 1_555 1_555 ?
H5 C3 H7 78.25(5) 1_555 1_555 ?
H5 C3 H8 84.47(6) 1_555 1_555 ?
H5 C3 H9 117.04(6) 1_555 1_555 ?
H6 C3 C4 93.22(9) 1_555 1_555 ?
H6 C3 H7 78.62(5) 1_555 1_555 ?
H6 C3 H8 117.50(5) 1_555 1_555 ?
H6 C3 H9 85.40(5) 1_555 1_555 ?
C1 H5 H3 48.86(2) 1_555 1_555 ?
C1 H5 H4 45.41(2) 1_555 1_555 ?
C1 H5 C3 55.52(8) 1_555 1_555 ?
C1 H5 H6 73.10(3) 1_555 1_555 ?
C1 H5 C4 107.71(6) 1_555 1_555 ?
C1 H5 H7 131.34(4) 1_555 1_555 ?
C1 H5 H8 111.53(4) 1_555 1_555 ?
C1 H5 H9 98.16(3) 1_555 1_555 ?
C1 H5 H29 154.56(4) 1_555 2_556 ?
C1 H5 H33 108.73(3) 1_555 2_556 ?
H1 H5 H3 65.1328(20) 1_555 1_555 ?
H1 H5 H4 49.9888(17) 1_555 1_555 ?
H1 H5 C3 52.71(7) 1_555 1_555 ?
H1 H5 H6 57.149(2) 1_555 1_555 ?
H1 H5 C4 106.99(4) 1_555 1_555 ?
H1 H5 H7 124.336(5) 1_555 1_555 ?
H1 H5 H8 119.537(5) 1_555 1_555 ?
H1 H5 H9 96.097(4) 1_555 1_555 ?
H1 H5 H29 153.519(4) 1_555 2_556 ?
H1 H5 H33 101.096(3) 1_555 2_556 ?
H2 H5 C2 45.82(3) 1_555 1_555 ?
H2 H5 H3 56.2664(20) 1_555 1_555 ?
H2 H5 H4 63.1831(19) 1_555 1_555 ?
H2 H5 C3 74.97(7) 1_555 1_555 ?
H2 H5 H6 90.260(3) 1_555 1_555 ?
H2 H5 C4 125.07(5) 1_555 1_555 ?
H2 H5 H7 150.354(5) 1_555 1_555 ?
H2 H5 H8 122.327(5) 1_555 1_555 ?
H2 H5 H9 116.496(4) 1_555 1_555 ?
H2 H5 H29 134.937(4) 1_555 2_556 ?
H2 H5 H33 94.356(3) 1_555 2_556 ?
C2 H5 H6 69.45(4) 1_555 1_555 ?
C2 H5 C4 79.25(6) 1_555 1_555 ?
C2 H5 H7 105.04(4) 1_555 1_555 ?
C2 H5 H8 81.23(4) 1_555 1_555 ?
C2 H5 H9 71.12(3) 1_555 1_555 ?
C2 H5 H29 160.56(5) 1_555 2_556 ?
C2 H5 H33 139.09(5) 1_555 2_556 ?
H3 H5 C3 50.95(6) 1_555 1_555 ?
H3 H5 H6 90.268(3) 1_555 1_555 ?
H3 H5 C4 74.41(4) 1_555 1_555 ?
H3 H5 H7 100.277(3) 1_555 1_555 ?
H3 H5 H8 66.061(2) 1_555 1_555 ?
H3 H5 H9 70.4014(19) 1_555 1_555 ?
H3 H5 H29 135.365(4) 1_555 2_556 ?
H3 H5 H33 145.646(5) 1_555 2_556 ?
H4 H5 H6 56.620(2) 1_555 1_555 ?
H4 H5 C4 62.35(4) 1_555 1_555 ?
H4 H5 H7 87.230(2) 1_555 1_555 ?
H4 H5 H8 69.605(2) 1_555 1_555 ?
H4 H5 H9 53.3125(17) 1_555 1_555 ?
H4 H5 H29 156.463(4) 1_555 2_556 ?
H4 H5 H33 150.980(4) 1_555 2_556 ?
C3 H5 C4 54.44(8) 1_555 1_555 ?
C3 H5 H7 75.85(7) 1_555 1_555 ?
C3 H5 H8 69.31(7) 1_555 1_555 ?
C3 H5 H29 149.86(8) 1_555 2_556 ?
C3 H5 H33 145.25(8) 1_555 2_556 ?
H6 H5 C4 65.58(4) 1_555 1_555 ?
H6 H5 H7 70.372(3) 1_555 1_555 ?
H6 H5 H8 90.137(3) 1_555 1_555 ?
H6 H5 H9 56.2013(20) 1_555 1_555 ?
H6 H5 H29 126.191(3) 1_555 2_556 ?
H6 H5 H33 108.913(3) 1_555 2_556 ?
C4 H5 H29 96.38(4) 1_555 2_556 ?
C4 H5 H33 139.21(5) 1_555 2_556 ?
H7 H5 H29 74.014(2) 1_555 2_556 ?
H7 H5 H33 112.795(3) 1_555 2_556 ?
H8 H5 H29 86.859(3) 1_555 2_556 ?
H8 H5 H33 138.984(4) 1_555 2_556 ?
H9 H5 H29 106.550(3) 1_555 2_556 ?
H9 H5 H33 143.948(3) 1_555 2_556 ?
H29 H5 H33 52.4264(17) 2_556 2_556 ?
C1 H6 H3 45.81(2) 1_555 1_555 ?
C1 H6 H4 48.99(2) 1_555 1_555 ?
C1 H6 C3 56.76(8) 1_555 1_555 ?
C1 H6 H5 74.97(4) 1_555 1_555 ?
C1 H6 C4 108.25(6) 1_555 1_555 ?
C1 H6 H7 132.56(4) 1_555 1_555 ?
C1 H6 H8 99.30(3) 1_555 1_555 ?
C1 H6 H9 111.60(4) 1_555 1_555 ?
H1 H6 C2 48.51(3) 1_555 1_555 ?
H1 H6 H3 64.858(2) 1_555 1_555 ?
H1 H6 H4 60.589(2) 1_555 1_555 ?
H1 H6 C3 76.18(7) 1_555 1_555 ?
H1 H6 H5 89.306(3) 1_555 1_555 ?
H1 H6 C4 127.18(5) 1_555 1_555 ?
H1 H6 H7 152.016(6) 1_555 1_555 ?
H1 H6 H8 118.585(5) 1_555 1_555 ?
H1 H6 H9 125.755(5) 1_555 1_555 ?
H2 H6 H3 46.6675(16) 1_555 1_555 ?
H2 H6 H4 62.4400(18) 1_555 1_555 ?
H2 H6 C3 51.13(6) 1_555 1_555 ?
H2 H6 H5 58.029(2) 1_555 1_555 ?
H2 H6 C4 104.71(4) 1_555 1_555 ?
H2 H6 H7 123.748(4) 1_555 1_555 ?
H2 H6 H8 94.594(3) 1_555 1_555 ?
H2 H6 H9 116.857(4) 1_555 1_555 ?
C2 H6 H5 69.20(4) 1_555 1_555 ?
C2 H6 C4 78.84(6) 1_555 1_555 ?
C2 H6 H7 104.83(4) 1_555 1_555 ?
C2 H6 H8 71.01(3) 1_555 1_555 ?
C2 H6 H9 81.10(4) 1_555 1_555 ?
H3 H6 H5 56.133(2) 1_555 1_555 ?
H3 H6 C4 62.45(4) 1_555 1_555 ?
H3 H6 H7 87.575(3) 1_555 1_555 ?
H3 H6 H8 53.7790(18) 1_555 1_555 ?
H3 H6 H9 70.190(2) 1_555 1_555 ?
H4 H6 C3 49.70(6) 1_555 1_555 ?
H4 H6 H5 89.802(3) 1_555 1_555 ?
H4 H6 C4 73.60(4) 1_555 1_555 ?
H4 H6 H7 99.328(3) 1_555 1_555 ?
H4 H6 H8 69.558(2) 1_555 1_555 ?
H4 H6 H9 65.170(2) 1_555 1_555 ?
C3 H6 C4 53.68(8) 1_555 1_555 ?
C3 H6 H7 75.87(7) 1_555 1_555 ?
C3 H6 H9 68.76(7) 1_555 1_555 ?
H5 H6 C4 64.53(4) 1_555 1_555 ?
H5 H6 H7 70.178(2) 1_555 1_555 ?
H5 H6 H8 56.008(2) 1_555 1_555 ?
H5 H6 H9 89.883(2) 1_555 1_555 ?
C2 C4 H5 56.60(4) 1_555 1_555 ?
C2 C4 H6 56.62(4) 1_555 1_555 ?
C2 C4 H7 155.89(8) 1_555 1_555 ?
C2 C4 H8 99.66(8) 1_555 1_555 ?
C2 C4 H9 98.94(8) 1_555 1_555 ?
H3 C4 C3 46.34(5) 1_555 1_555 ?
H3 C4 H5 61.73(3) 1_555 1_555 ?
H3 C4 H6 77.52(3) 1_555 1_555 ?
H3 C4 H7 160.35(5) 1_555 1_555 ?
H3 C4 H8 77.37(6) 1_555 1_555 ?
H3 C4 H9 103.46(5) 1_555 1_555 ?
H4 C4 C3 46.32(6) 1_555 1_555 ?
H4 C4 H5 77.96(3) 1_555 1_555 ?
H4 C4 H6 62.18(3) 1_555 1_555 ?
H4 C4 H7 158.96(5) 1_555 1_555 ?
H4 C4 H8 103.19(6) 1_555 1_555 ?
H4 C4 H9 76.20(5) 1_555 1_555 ?
C3 C4 H7 126.46(10) 1_555 1_555 ?
C3 C4 H8 118.27(10) 1_555 1_555 ?
C3 C4 H9 115.86(10) 1_555 1_555 ?
H5 C4 H6 49.89(4) 1_555 1_555 ?
H5 C4 H7 102.41(6) 1_555 1_555 ?
H5 C4 H8 104.42(6) 1_555 1_555 ?
H5 C4 H9 149.30(6) 1_555 1_555 ?
H6 C4 H7 101.63(6) 1_555 1_555 ?
H6 C4 H8 150.89(6) 1_555 1_555 ?
H6 C4 H9 102.55(6) 1_555 1_555 ?
H7 C4 H8 97.11(7) 1_555 1_555 ?
H7 C4 H9 95.92(7) 1_555 1_555 ?
H8 C4 H9 97.40(7) 1_555 1_555 ?
H2 H7 C3 120.63(4) 2_546 1_555 ?
H2 H7 H5 97.785(3) 2_546 1_555 ?
H2 H7 H6 135.433(4) 2_546 1_555 ?
H2 H7 C4 118.60(8) 2_546 1_555 ?
H2 H7 H8 82.388(2) 2_546 1_555 ?
H2 H7 H9 136.311(4) 2_546 1_555 ?
H2 H7 H21 48.2992(15) 2_546 2_546 ?
H2 H7 H22 62.4968(17) 2_546 2_556 ?
H2 H7 H29 47.5868(15) 2_546 2_556 ?
C3 H7 H8 65.98(4) 1_555 1_555 ?
C3 H7 H9 65.59(4) 1_555 1_555 ?
C3 H7 H21 138.62(4) 1_555 2_546 ?
C3 H7 H22 105.72(4) 1_555 2_556 ?
C3 H7 H29 83.00(3) 1_555 2_556 ?
H5 H7 C4 51.14(6) 1_555 1_555 ?
H5 H7 H8 70.727(2) 1_555 1_555 ?
H5 H7 H9 90.336(2) 1_555 1_555 ?
H5 H7 H21 115.042(3) 1_555 2_546 ?
H5 H7 H22 84.510(2) 1_555 2_556 ?
H5 H7 H29 57.1011(18) 1_555 2_556 ?
H6 H7 C4 51.87(6) 1_555 1_555 ?
H6 H7 H8 90.468(3) 1_555 1_555 ?
H6 H7 H9 70.685(3) 1_555 1_555 ?
H6 H7 H21 126.370(4) 1_555 2_546 ?
H6 H7 H22 94.345(3) 1_555 2_556 ?
H6 H7 H29 89.026(2) 1_555 2_556 ?
C4 H7 H21 162.90(8) 1_555 2_546 ?
C4 H7 H22 135.62(8) 1_555 2_556 ?
C4 H7 H29 101.84(7) 1_555 2_556 ?
H8 H7 H9 59.9855(19) 1_555 1_555 ?
H8 H7 H21 130.380(4) 1_555 2_546 ?
H8 H7 H22 133.742(5) 1_555 2_556 ?
H8 H7 H29 91.501(3) 1_555 2_556 ?
H9 H7 H21 154.281(4) 1_555 2_546 ?
H9 H7 H22 161.147(5) 1_555 2_556 ?
H9 H7 H29 143.671(4) 1_555 2_556 ?
H21 H7 H29 61.4314(17) 2_546 2_556 ?
C2 H8 H5 47.70(2) 1_555 1_555 ?
C2 H8 H6 45.14(2) 1_555 1_555 ?
C2 H8 C4 60.25(8) 1_555 1_555 ?
C2 H8 H7 100.76(4) 1_555 1_555 ?
C2 H8 H9 74.63(4) 1_555 1_555 ?
C2 H8 H32 134.64(3) 1_555 1_555 ?
C2 H8 H34 93.96(3) 1_555 1_555 ?
H3 H8 C3 45.90(3) 1_555 1_555 ?
H3 H8 H5 57.3295(20) 1_555 1_555 ?
H3 H8 H6 63.488(2) 1_555 1_555 ?
H3 H8 C4 79.39(7) 1_555 1_555 ?
H3 H8 H7 119.033(3) 1_555 1_555 ?
H3 H8 H9 90.074(3) 1_555 1_555 ?
H3 H8 H32 128.524(5) 1_555 1_555 ?
H3 H8 H34 80.152(3) 1_555 1_555 ?
H4 H8 H5 63.144(2) 1_555 1_555 ?
H4 H8 H6 48.1383(17) 1_555 1_555 ?
H4 H8 C4 57.07(7) 1_555 1_555 ?
H4 H8 H7 98.987(3) 1_555 1_555 ?
H4 H8 H9 58.246(2) 1_555 1_555 ?
H4 H8 H32 116.947(5) 1_555 1_555 ?
H4 H8 H34 85.990(3) 1_555 1_555 ?
C3 H8 H7 73.24(4) 1_555 1_555 ?
C3 H8 H9 68.67(4) 1_555 1_555 ?
C3 H8 H32 149.67(5) 1_555 1_555 ?
C3 H8 H34 122.74(4) 1_555 1_555 ?
H5 H8 C4 50.19(6) 1_555 1_555 ?
H5 H8 H7 69.897(2) 1_555 1_555 ?
H5 H8 H9 89.924(2) 1_555 1_555 ?
H5 H8 H32 170.172(5) 1_555 1_555 ?
H5 H8 H34 136.580(4) 1_555 1_555 ?
H6 H8 H7 55.670(2) 1_555 1_555 ?
H6 H8 H9 56.068(2) 1_555 1_555 ?
H6 H8 H32 138.107(5) 1_555 1_555 ?
H6 H8 H34 133.843(4) 1_555 1_555 ?
C4 H8 H32 120.78(8) 1_555 1_555 ?
C4 H8 H34 135.30(9) 1_555 1_555 ?
H7 H8 H9 60.0587(19) 1_555 1_555 ?
H7 H8 H32 100.772(3) 1_555 1_555 ?
H7 H8 H34 149.453(5) 1_555 1_555 ?
H9 H8 H32 82.467(3) 1_555 1_555 ?
H9 H8 H34 99.236(3) 1_555 1_555 ?
H32 H8 H34 51.4990(18) 1_555 1_555 ?
C2 H9 H5 45.09(2) 1_555 1_555 ?
C2 H9 H6 47.79(2) 1_555 1_555 ?
C2 H9 C4 60.48(8) 1_555 1_555 ?
C2 H9 H7 100.74(4) 1_555 1_555 ?
C2 H9 H8 74.68(3) 1_555 1_555 ?
C2 H9 H14 133.14(4) 1_555 2_646 ?
H3 H9 H5 47.6408(15) 1_555 1_555 ?
H3 H9 H6 62.7158(20) 1_555 1_555 ?
H3 H9 C4 56.54(7) 1_555 1_555 ?
H3 H9 H7 98.623(3) 1_555 1_555 ?
H3 H9 H8 58.391(2) 1_555 1_555 ?
H3 H9 H14 135.232(3) 1_555 2_646 ?
H4 H9 C3 46.15(3) 1_555 1_555 ?
H4 H9 H5 63.8477(19) 1_555 1_555 ?
H4 H9 H6 58.029(2) 1_555 1_555 ?
H4 H9 C4 79.94(7) 1_555 1_555 ?
H4 H9 H7 119.462(3) 1_555 1_555 ?
H4 H9 H8 89.972(3) 1_555 1_555 ?
H4 H9 H14 113.711(3) 1_555 2_646 ?
C3 H9 H7 73.51(4) 1_555 1_555 ?
C3 H9 H8 69.33(4) 1_555 1_555 ?
C3 H9 H14 154.19(5) 1_555 2_646 ?
H5 H9 H7 55.701(2) 1_555 1_555 ?
H5 H9 H8 56.1410(20) 1_555 1_555 ?
H5 H9 H14 170.064(4) 1_555 2_646 ?
H6 H9 C4 51.28(6) 1_555 1_555 ?
H6 H9 H7 69.936(3) 1_555 1_555 ?
H6 H9 H8 90.057(3) 1_555 1_555 ?
H6 H9 H14 136.210(4) 1_555 2_646 ?
C4 H9 H14 166.30(9) 1_555 2_646 ?
H7 H9 H8 59.9558(19) 1_555 1_555 ?
H7 H9 H14 125.184(3) 1_555 2_646 ?
H8 H9 H14 133.704(3) 1_555 2_646 ?
N1 C5 H1 47.79(6) 1_555 1_555 ?
N1 C5 C2 58.01(7) 1_555 1_555 ?
N1 C5 H4 80.15(7) 1_555 1_555 ?
N1 C5 H10 113.10(10) 1_555 1_565 ?
N1 C5 H11 115.35(11) 1_555 1_555 ?
N1 C5 C6 115.05(12) 1_555 1_555 ?
N1 C5 H12 105.37(8) 1_555 1_565 ?
N1 C5 H13 96.52(8) 1_555 1_555 ?
N1 C5 C7 144.22(10) 1_555 1_555 ?
N1 C5 H15 163.22(8) 1_555 1_555 ?
N1 C5 H19 53.93(6) 1_555 1_555 ?
N1 C5 H20 57.89(6) 1_555 1_555 ?
N1 C5 H28 50.32(6) 1_555 1_565 ?
N1 C5 C14 54.07(7) 1_555 1_565 ?
N1 C5 H30 74.71(7) 1_555 1_565 ?
C1 C5 H4 53.22(4) 1_555 1_555 ?
C1 C5 H10 143.90(8) 1_555 1_565 ?
C1 C5 H11 100.93(8) 1_555 1_555 ?
C1 C5 C6 95.44(9) 1_555 1_555 ?
C1 C5 H12 97.81(5) 1_555 1_565 ?
C1 C5 H13 71.00(5) 1_555 1_555 ?
C1 C5 C7 118.24(6) 1_555 1_555 ?
C1 C5 H15 139.53(5) 1_555 1_555 ?
C1 C5 C9 62.48(5) 1_555 1_555 ?
C1 C5 H19 64.30(4) 1_555 1_555 ?
C1 C5 H20 84.27(4) 1_555 1_555 ?
C1 C5 C13 50.24(5) 1_555 1_565 ?
C1 C5 H28 59.00(4) 1_555 1_565 ?
C1 C5 C14 80.76(5) 1_555 1_565 ?
C1 C5 H30 99.65(4) 1_555 1_565 ?
H1 C5 H4 54.58(3) 1_555 1_555 ?
H1 C5 H10 147.85(5) 1_555 1_565 ?
H1 C5 H11 107.06(6) 1_555 1_555 ?
H1 C5 C6 73.85(7) 1_555 1_555 ?
H1 C5 H12 77.90(3) 1_555 1_565 ?
H1 C5 H13 50.08(3) 1_555 1_555 ?
H1 C5 C7 98.13(4) 1_555 1_555 ?
H1 C5 H15 119.51(3) 1_555 1_555 ?
H1 C5 C9 83.73(5) 1_555 1_555 ?
H1 C5 H19 85.49(3) 1_555 1_555 ?
H1 C5 H20 104.57(3) 1_555 1_555 ?
H1 C5 C13 53.88(4) 1_555 1_565 ?
H1 C5 H28 52.67(3) 1_555 1_565 ?
H1 C5 C14 85.36(4) 1_555 1_565 ?
H1 C5 H30 99.77(3) 1_555 1_565 ?
C2 C5 H10 160.11(9) 1_555 1_565 ?
C2 C5 H11 68.47(8) 1_555 1_555 ?
C2 C5 C6 98.53(9) 1_555 1_555 ?
C2 C5 H12 113.50(5) 1_555 1_565 ?
C2 C5 H13 71.92(5) 1_555 1_555 ?
C2 C5 C7 106.32(6) 1_555 1_555 ?
C2 C5 H15 122.34(5) 1_555 1_555 ?
C2 C5 C9 68.31(6) 1_555 1_555 ?
C2 C5 H19 57.41(4) 1_555 1_555 ?
C2 C5 H20 91.07(4) 1_555 1_555 ?
C2 C5 C13 82.82(5) 1_555 1_565 ?
C2 C5 H28 91.06(4) 1_555 1_565 ?
C2 C5 C14 111.74(6) 1_555 1_565 ?
C2 C5 H30 131.82(4) 1_555 1_565 ?
H4 C5 H10 157.29(5) 1_555 1_565 ?
H4 C5 H11 52.53(6) 1_555 1_555 ?
H4 C5 C6 88.35(7) 1_555 1_555 ?
H4 C5 H12 109.41(3) 1_555 1_565 ?
H4 C5 H13 64.93(3) 1_555 1_555 ?
H4 C5 C7 87.58(4) 1_555 1_555 ?
H4 C5 H15 101.05(3) 1_555 1_555 ?
H4 C5 C9 85.09(5) 1_555 1_555 ?
H4 C5 H19 69.32(3) 1_555 1_555 ?
H4 C5 H20 105.60(3) 1_555 1_555 ?
H4 C5 C13 103.40(5) 1_555 1_565 ?
H4 C5 H28 107.22(3) 1_555 1_565 ?
H4 C5 C14 133.60(5) 1_555 1_565 ?
H4 C5 H30 152.79(3) 1_555 1_565 ?
H10 C5 H11 104.83(7) 1_565 1_555 ?
H10 C5 C6 101.34(11) 1_565 1_555 ?
H10 C5 H12 85.56(6) 1_565 1_565 ?
H10 C5 H13 127.96(6) 1_565 1_555 ?
H10 C5 C7 90.56(8) 1_565 1_555 ?
H10 C5 H15 71.76(5) 1_565 1_555 ?
H10 C5 C9 93.29(9) 1_565 1_555 ?
H10 C5 H19 102.74(5) 1_565 1_555 ?
H10 C5 H20 70.08(6) 1_565 1_555 ?
H10 C5 C13 96.11(8) 1_565 1_565 ?
H10 C5 H28 95.22(5) 1_565 1_565 ?
H10 C5 C14 64.45(7) 1_565 1_565 ?
H10 C5 H30 48.20(5) 1_565 1_565 ?
H11 C5 C6 105.74(11) 1_555 1_555 ?
H11 C5 H12 128.51(6) 1_555 1_565 ?
H11 C5 H13 98.94(6) 1_555 1_555 ?
H11 C5 C7 81.28(8) 1_555 1_555 ?
H11 C5 H15 77.10(6) 1_555 1_555 ?
H11 C5 C9 88.28(9) 1_555 1_555 ?
H11 C5 H19 68.23(6) 1_555 1_555 ?
H11 C5 H20 92.05(6) 1_555 1_555 ?
H11 C5 C13 146.18(9) 1_555 1_565 ?
H11 C5 H28 159.42(6) 1_555 1_565 ?
H11 C5 C14 150.69(9) 1_555 1_565 ?
H11 C5 H30 150.61(6) 1_555 1_565 ?
C6 C5 H15 48.63(6) 1_555 1_555 ?
C6 C5 C9 156.17(11) 1_555 1_555 ?
C6 C5 H19 155.92(8) 1_555 1_555 ?
C6 C5 H20 161.89(9) 1_555 1_555 ?
C6 C5 C13 95.58(9) 1_555 1_565 ?
C6 C5 H28 74.16(7) 1_555 1_565 ?
C6 C5 C14 103.20(9) 1_555 1_565 ?
C6 C5 H30 92.90(7) 1_555 1_565 ?
H12 C5 C7 47.80(4) 1_565 1_555 ?
H12 C5 H15 58.26(3) 1_565 1_555 ?
H12 C5 C9 142.27(6) 1_565 1_555 ?
H12 C5 H19 159.28(3) 1_565 1_555 ?
H12 C5 H20 137.47(4) 1_565 1_555 ?
H12 C5 C13 78.67(5) 1_565 1_565 ?
H12 C5 H28 56.73(3) 1_565 1_565 ?
H12 C5 C14 79.48(5) 1_565 1_565 ?
H12 C5 H30 68.40(3) 1_565 1_565 ?
H13 C5 C7 48.20(4) 1_555 1_555 ?
H13 C5 H15 69.48(3) 1_555 1_555 ?
H13 C5 C9 133.44(6) 1_555 1_555 ?
H13 C5 H19 129.11(3) 1_555 1_555 ?
H13 C5 H20 154.38(4) 1_555 1_555 ?
H13 C5 C13 88.25(5) 1_555 1_565 ?
H13 C5 H28 71.41(3) 1_555 1_565 ?
H13 C5 C14 109.05(5) 1_555 1_565 ?
H13 C5 H30 107.49(3) 1_555 1_565 ?
C7 C5 C9 169.49(8) 1_555 1_555 ?
C7 C5 H19 148.89(5) 1_555 1_555 ?
C7 C5 H20 157.30(6) 1_555 1_555 ?
C7 C5 C13 125.35(7) 1_555 1_565 ?
C7 C5 H28 103.44(5) 1_555 1_565 ?
C7 C5 C14 124.06(6) 1_555 1_565 ?
C7 C5 H30 106.88(5) 1_555 1_565 ?
H15 C5 C9 155.21(6) 1_555 1_555 ?
H15 C5 H19 142.30(3) 1_555 1_555 ?
H15 C5 H20 135.90(3) 1_555 1_555 ?
H15 C5 C13 135.53(5) 1_555 1_565 ?
H15 C5 H28 114.38(3) 1_555 1_565 ?
H15 C5 C14 120.42(5) 1_555 1_565 ?
H15 C5 H30 100.08(3) 1_555 1_565 ?
C9 C5 C13 63.94(6) 1_555 1_565 ?
C9 C5 H28 85.95(5) 1_555 1_565 ?
C9 C5 C14 66.32(6) 1_555 1_565 ?
C9 C5 H30 82.87(5) 1_555 1_565 ?
H19 C5 C13 81.56(5) 1_555 1_565 ?
H19 C5 H28 103.18(3) 1_555 1_565 ?
H19 C5 C14 86.97(4) 1_555 1_565 ?
H19 C5 H30 102.86(3) 1_555 1_565 ?
H20 C5 C13 70.29(5) 1_555 1_565 ?
H20 C5 H28 90.43(3) 1_555 1_565 ?
H20 C5 C14 58.82(4) 1_555 1_565 ?
H20 C5 H30 69.39(3) 1_555 1_565 ?
C13 C5 H30 49.42(4) 1_565 1_565 ?
H28 C5 H30 47.71(3) 1_565 1_565 ?
N1 H10 H11 66.47(4) 1_545 1_545 ?
N1 H10 C6 74.60(6) 1_545 1_545 ?
N1 H10 H12 81.72(4) 1_545 1_555 ?
N1 H10 H13 62.90(3) 1_545 1_545 ?
N1 H10 C7 102.69(6) 1_545 1_545 ?
N1 H10 H15 123.66(5) 1_545 1_545 ?
N1 H10 H20 57.41(3) 1_545 1_545 ?
N1 H10 C14 59.47(5) 1_545 1_555 ?
N1 H10 H30 82.20(4) 1_545 1_555 ?
N1 H10 H31 65.88(4) 1_545 1_555 ?
C5 H10 C6 47.77(8) 1_545 1_545 ?
C5 H10 H12 67.92(7) 1_545 1_555 ?
C5 H10 C7 67.74(9) 1_545 1_545 ?
C5 H10 H15 86.75(7) 1_545 1_545 ?
C5 H10 C9 61.01(9) 1_545 1_545 ?
C5 H10 H19 57.89(7) 1_545 1_545 ?
C5 H10 H20 85.79(8) 1_545 1_545 ?
C5 H10 C13 61.38(8) 1_545 1_555 ?
C5 H10 H28 64.38(7) 1_545 1_555 ?
C5 H10 C14 94.55(10) 1_545 1_555 ?
C5 H10 H30 113.15(8) 1_545 1_555 ?
C5 H10 H31 104.51(8) 1_545 1_555 ?
H11 H10 C6 67.23(5) 1_545 1_545 ?
H11 H10 H12 92.695(3) 1_545 1_555 ?
H11 H10 H13 59.456(2) 1_545 1_545 ?
H11 H10 C7 67.13(4) 1_545 1_545 ?
H11 H10 H15 75.919(2) 1_545 1_545 ?
H11 H10 C9 66.66(4) 1_545 1_545 ?
H11 H10 H19 53.506(2) 1_545 1_545 ?
H11 H10 H20 84.686(2) 1_545 1_545 ?
H11 H10 C13 94.99(4) 1_545 1_555 ?
H11 H10 H28 101.148(3) 1_545 1_555 ?
H11 H10 C14 125.86(5) 1_545 1_555 ?
H11 H10 H30 148.310(6) 1_545 1_555 ?
H11 H10 H31 126.489(4) 1_545 1_555 ?
C6 H10 H15 52.29(4) 1_545 1_545 ?
C6 H10 C9 106.67(7) 1_545 1_545 ?
C6 H10 H19 105.66(5) 1_545 1_545 ?
C6 H10 H20 131.17(6) 1_545 1_545 ?
C6 H10 C13 75.92(6) 1_545 1_555 ?
C6 H10 H28 62.29(4) 1_545 1_555 ?
C6 H10 C14 99.96(7) 1_545 1_555 ?
C6 H10 H30 100.91(5) 1_545 1_555 ?
C6 H10 H31 119.91(5) 1_545 1_555 ?
H12 H10 H15 59.2317(17) 1_555 1_545 ?
H12 H10 C9 117.27(4) 1_555 1_545 ?
H12 H10 H19 122.774(3) 1_555 1_545 ?
H12 H10 H20 136.473(4) 1_555 1_545 ?
H12 H10 C13 69.63(3) 1_555 1_555 ?
H12 H10 H28 50.9404(16) 1_555 1_555 ?
H12 H10 C14 82.91(4) 1_555 1_555 ?
H12 H10 H30 77.580(2) 1_555 1_555 ?
H12 H10 H31 103.151(3) 1_555 1_555 ?
H13 H10 H15 62.1834(19) 1_545 1_545 ?
H13 H10 C9 94.12(4) 1_545 1_545 ?
H13 H10 H19 93.300(3) 1_545 1_545 ?
H13 H10 H20 118.750(4) 1_545 1_545 ?
H13 H10 C13 68.46(3) 1_545 1_555 ?
H13 H10 H28 58.1822(17) 1_545 1_555 ?
H13 H10 C14 96.57(4) 1_545 1_555 ?
H13 H10 H30 102.745(3) 1_545 1_555 ?
H13 H10 H31 115.081(3) 1_545 1_555 ?
C7 H10 C9 127.88(6) 1_545 1_545 ?
C7 H10 H19 119.24(4) 1_545 1_545 ?
C7 H10 H20 151.00(5) 1_545 1_545 ?
C7 H10 C13 106.99(5) 1_545 1_555 ?
C7 H10 H28 91.82(3) 1_545 1_555 ?
C7 H10 C14 126.76(6) 1_545 1_555 ?
C7 H10 H30 118.22(4) 1_545 1_555 ?
C7 H10 H31 147.02(4) 1_545 1_555 ?
H15 H10 C9 142.37(5) 1_545 1_545 ?
H15 H10 H19 128.987(3) 1_545 1_545 ?
H15 H10 H20 156.279(4) 1_545 1_545 ?
H15 H10 C13 127.16(4) 1_545 1_555 ?
H15 H10 H28 109.952(3) 1_545 1_555 ?
H15 H10 C14 138.54(4) 1_545 1_555 ?
H15 H10 H30 121.306(3) 1_545 1_555 ?
H15 H10 H31 154.280(3) 1_545 1_555 ?
C9 H10 C13 55.44(4) 1_545 1_555 ?
C9 H10 H28 74.85(3) 1_545 1_555 ?
C9 H10 C14 68.02(5) 1_545 1_555 ?
C9 H10 H30 90.87(4) 1_545 1_555 ?
C9 H10 H31 60.58(3) 1_545 1_555 ?
H19 H10 C13 69.56(3) 1_545 1_555 ?
H19 H10 H28 88.012(2) 1_545 1_555 ?
H19 H10 C14 84.27(3) 1_545 1_555 ?
H19 H10 H30 106.858(4) 1_545 1_555 ?
H19 H10 H31 75.584(3) 1_545 1_555 ?
H20 H10 C13 67.36(3) 1_545 1_555 ?
H20 H10 H28 86.884(2) 1_545 1_555 ?
H20 H10 C14 64.61(3) 1_545 1_555 ?
H20 H10 H30 82.265(2) 1_545 1_555 ?
H20 H10 H31 49.2704(17) 1_545 1_555 ?
C13 H10 H30 53.33(3) 1_555 1_555 ?
C13 H10 H31 47.46(2) 1_555 1_555 ?
H28 H10 H30 49.5073(19) 1_555 1_555 ?
H28 H10 H31 57.6921(17) 1_555 1_555 ?
N1 H11 C2 60.02(5) 1_555 1_555 ?
N1 H11 H3 67.67(4) 1_555 1_555 ?
N1 H11 H4 82.00(4) 1_555 1_555 ?
N1 H11 H10 66.54(4) 1_555 1_565 ?
N1 H11 C6 73.89(6) 1_555 1_555 ?
N1 H11 H12 68.36(4) 1_555 1_565 ?
N1 H11 H13 71.44(4) 1_555 1_555 ?
N1 H11 C7 108.61(6) 1_555 1_555 ?
N1 H11 H15 119.49(5) 1_555 1_555 ?
N1 H11 C8 126.88(7) 1_555 1_555 ?
N1 H11 H18 141.24(5) 1_555 1_555 ?
N1 H11 H19 56.20(3) 1_555 1_555 ?
N1 H11 H20 50.48(3) 1_555 1_555 ?
C1 H11 H3 46.12(2) 1_555 1_555 ?
C1 H11 H4 53.10(3) 1_555 1_555 ?
C1 H11 C5 57.99(8) 1_555 1_555 ?
C1 H11 H10 93.34(4) 1_555 1_565 ?
C1 H11 C6 73.91(5) 1_555 1_555 ?
C1 H11 H12 74.52(3) 1_555 1_565 ?
C1 H11 H13 59.78(2) 1_555 1_555 ?
C1 H11 C7 104.78(5) 1_555 1_555 ?
C1 H11 H15 124.03(3) 1_555 1_555 ?
C1 H11 C8 110.39(5) 1_555 1_555 ?
C1 H11 H18 117.21(4) 1_555 1_555 ?
C1 H11 C9 54.12(4) 1_555 1_555 ?
C1 H11 H19 61.75(2) 1_555 1_555 ?
C1 H11 H20 73.48(2) 1_555 1_555 ?
C2 H11 C5 90.30(10) 1_555 1_555 ?
C2 H11 H10 125.98(5) 1_555 1_565 ?
C2 H11 C6 92.44(6) 1_555 1_555 ?
C2 H11 H12 98.09(4) 1_555 1_565 ?
C2 H11 H13 70.48(3) 1_555 1_555 ?
C2 H11 C7 110.93(5) 1_555 1_555 ?
C2 H11 H15 132.43(4) 1_555 1_555 ?
C2 H11 C8 100.47(5) 1_555 1_555 ?
C2 H11 H18 96.76(4) 1_555 1_555 ?
C2 H11 C9 69.55(5) 1_555 1_555 ?
C2 H11 H19 62.23(3) 1_555 1_555 ?
C2 H11 H20 90.43(3) 1_555 1_555 ?
H3 H11 C5 103.34(8) 1_555 1_555 ?
H3 H11 H10 132.792(4) 1_555 1_565 ?
H3 H11 C6 111.88(5) 1_555 1_555 ?
H3 H11 H12 117.044(3) 1_555 1_565 ?
H3 H11 H13 89.752(2) 1_555 1_555 ?
H3 H11 C7 127.60(4) 1_555 1_555 ?
H3 H11 H15 147.504(3) 1_555 1_555 ?
H3 H11 C8 110.98(4) 1_555 1_555 ?
H3 H11 H18 101.201(3) 1_555 1_555 ?
H3 H11 C9 63.76(3) 1_555 1_555 ?
H3 H11 H19 49.2179(15) 1_555 1_555 ?
H3 H11 H20 82.668(2) 1_555 1_555 ?
H4 H11 C5 106.04(8) 1_555 1_555 ?
H4 H11 H10 144.304(4) 1_555 1_565 ?
H4 H11 C6 91.10(5) 1_555 1_555 ?
H4 H11 H12 100.510(3) 1_555 1_565 ?
H4 H11 H13 67.2248(19) 1_555 1_555 ?
H4 H11 C7 97.10(4) 1_555 1_555 ?
H4 H11 H15 116.122(3) 1_555 1_555 ?
H4 H11 C8 80.01(4) 1_555 1_555 ?
H4 H11 H18 73.5397(19) 1_555 1_555 ?
H4 H11 C9 92.24(4) 1_555 1_555 ?
H4 H11 H19 80.572(2) 1_555 1_555 ?
H4 H11 H20 112.615(3) 1_555 1_555 ?
C5 H11 C6 45.60(9) 1_555 1_555 ?
C5 H11 H13 57.48(7) 1_555 1_555 ?
C5 H11 C7 76.61(9) 1_555 1_555 ?
C5 H11 H15 82.28(7) 1_555 1_555 ?
C5 H11 C8 102.22(10) 1_555 1_555 ?
C5 H11 H18 122.41(9) 1_555 1_555 ?
C5 H11 C9 65.76(9) 1_555 1_555 ?
C5 H11 H19 89.50(8) 1_555 1_555 ?
C5 H11 H20 66.59(8) 1_555 1_555 ?
H10 H11 C6 65.01(5) 1_565 1_555 ?
H10 H11 H12 53.258(2) 1_565 1_565 ?
H10 H11 H13 86.357(3) 1_565 1_555 ?
H10 H11 C7 78.47(4) 1_565 1_555 ?
H10 H11 H15 69.722(2) 1_565 1_555 ?
H10 H11 C8 105.10(5) 1_565 1_555 ?
H10 H11 H18 121.677(4) 1_565 1_555 ?
H10 H11 C9 72.96(4) 1_565 1_555 ?
H10 H11 H19 94.576(3) 1_565 1_555 ?
H10 H11 H20 59.534(2) 1_565 1_555 ?
C6 H11 H15 50.33(4) 1_555 1_555 ?
C6 H11 C8 57.05(5) 1_555 1_555 ?
C6 H11 H18 76.96(4) 1_555 1_555 ?
C6 H11 C9 109.06(7) 1_555 1_555 ?
C6 H11 H19 130.03(6) 1_555 1_555 ?
C6 H11 H20 112.11(5) 1_555 1_555 ?
H12 H11 H15 52.1874(15) 1_565 1_555 ?
H12 H11 C8 66.57(3) 1_565 1_555 ?
H12 H11 H18 86.838(3) 1_565 1_555 ?
H12 H11 C9 101.06(4) 1_565 1_555 ?
H12 H11 H19 123.943(3) 1_565 1_555 ?
H12 H11 H20 101.372(3) 1_565 1_555 ?
H13 H11 C7 45.24(3) 1_555 1_555 ?
H13 H11 H15 66.0210(20) 1_555 1_555 ?
H13 H11 C8 55.49(3) 1_555 1_555 ?
H13 H11 H18 71.5216(19) 1_555 1_555 ?
H13 H11 C9 108.12(4) 1_555 1_555 ?
H13 H11 H19 121.469(4) 1_555 1_555 ?
H13 H11 H20 119.832(4) 1_555 1_555 ?
C7 H11 H18 47.52(3) 1_555 1_555 ?
C7 H11 C9 142.36(7) 1_555 1_555 ?
C7 H11 H19 164.77(5) 1_555 1_555 ?
C7 H11 H20 137.46(4) 1_555 1_555 ?
H15 H11 H18 51.9549(16) 1_555 1_555 ?
H15 H11 C9 142.47(5) 1_555 1_555 ?
H15 H11 H19 162.858(4) 1_555 1_555 ?
H15 H11 H20 127.559(3) 1_555 1_555 ?
C8 H11 C9 163.52(7) 1_555 1_555 ?
C8 H11 H19 159.47(5) 1_555 1_555 ?
C8 H11 H20 164.61(4) 1_555 1_555 ?
H18 H11 C9 164.89(5) 1_555 1_555 ?
H18 H11 H19 143.148(4) 1_555 1_555 ?
H18 H11 H20 168.256(4) 1_555 1_555 ?
N1 C6 H1 46.87(4) 1_555 1_555 ?
N1 C6 H4 60.15(4) 1_555 1_555 ?
N1 C6 H10 53.62(5) 1_555 1_565 ?
N1 C6 H11 53.31(5) 1_555 1_555 ?
N1 C6 H12 104.31(9) 1_555 1_565 ?
N1 C6 H13 90.97(8) 1_555 1_555 ?
N1 C6 C7 149.04(10) 1_555 1_555 ?
N1 C6 H14 173.56(6) 1_555 1_555 ?
N1 C6 H15 130.91(6) 1_555 1_555 ?
N1 C6 C8 129.69(7) 1_555 1_555 ?
N1 C6 H17 124.94(5) 1_555 1_555 ?
N1 C6 H18 107.57(5) 1_555 1_555 ?
N1 C6 H28 47.86(4) 1_555 1_565 ?
C1 C6 C5 53.88(7) 1_555 1_555 ?
C1 C6 H10 81.11(5) 1_555 1_565 ?
C1 C6 H11 64.52(4) 1_555 1_555 ?
C1 C6 H12 110.91(8) 1_555 1_565 ?
C1 C6 H13 62.77(7) 1_555 1_555 ?
C1 C6 C7 146.63(9) 1_555 1_555 ?
C1 C6 H14 154.24(5) 1_555 1_555 ?
C1 C6 H15 147.71(5) 1_555 1_555 ?
C1 C6 C8 118.72(6) 1_555 1_555 ?
C1 C6 H17 104.79(4) 1_555 1_555 ?
C1 C6 H18 101.64(4) 1_555 1_555 ?
C1 C6 H28 52.80(4) 1_555 1_565 ?
H1 C6 H4 50.70(3) 1_555 1_555 ?
H1 C6 C5 74.21(7) 1_555 1_555 ?
H1 C6 H10 100.49(4) 1_555 1_565 ?
H1 C6 H11 82.53(3) 1_555 1_555 ?
H1 C6 H12 102.60(6) 1_555 1_565 ?
H1 C6 H13 45.28(6) 1_555 1_555 ?
H1 C6 C7 142.15(7) 1_555 1_555 ?
H1 C6 H14 137.22(3) 1_555 1_555 ?
H1 C6 H15 159.46(3) 1_555 1_555 ?
H1 C6 C8 116.29(5) 1_555 1_555 ?
H1 C6 H17 97.24(3) 1_555 1_555 ?
H1 C6 H18 105.85(3) 1_555 1_555 ?
H1 C6 C13 48.57(4) 1_555 1_565 ?
H1 C6 H28 52.63(3) 1_555 1_565 ?
H4 C6 C5 61.73(7) 1_555 1_555 ?
H4 C6 H10 90.95(3) 1_555 1_565 ?
H4 C6 H11 46.67(3) 1_555 1_555 ?
H4 C6 H12 153.26(6) 1_555 1_565 ?
H4 C6 H13 57.46(6) 1_555 1_555 ?
H4 C6 C7 101.90(7) 1_555 1_555 ?
H4 C6 H14 117.41(3) 1_555 1_555 ?
H4 C6 H15 109.00(3) 1_555 1_555 ?
H4 C6 C8 74.33(4) 1_555 1_555 ?
H4 C6 H17 64.80(3) 1_555 1_555 ?
H4 C6 H18 57.15(3) 1_555 1_555 ?
H4 C6 C13 83.37(4) 1_555 1_565 ?
H4 C6 H28 97.63(3) 1_555 1_565 ?
C5 C6 H12 117.35(11) 1_555 1_565 ?
C5 C6 H13 112.24(11) 1_555 1_555 ?
C5 C6 C7 119.41(11) 1_555 1_555 ?
C5 C6 H14 142.66(8) 1_555 1_555 ?
C5 C6 H15 99.96(7) 1_555 1_555 ?
C5 C6 C8 108.85(9) 1_555 1_555 ?
C5 C6 H17 115.89(8) 1_555 1_555 ?
C5 C6 H18 87.01(7) 1_555 1_555 ?
C5 C6 C13 53.89(7) 1_555 1_565 ?
C5 C6 H28 73.54(7) 1_555 1_565 ?
H10 C6 H11 47.76(4) 1_565 1_555 ?
H10 C6 H12 96.15(6) 1_565 1_565 ?
H10 C6 H13 142.73(6) 1_565 1_555 ?
H10 C6 C7 106.13(8) 1_565 1_555 ?
H10 C6 H14 121.86(4) 1_565 1_555 ?
H10 C6 H15 81.03(4) 1_565 1_555 ?
H10 C6 C8 111.11(6) 1_565 1_555 ?
H10 C6 H17 128.42(4) 1_565 1_555 ?
H10 C6 H18 95.22(4) 1_565 1_555 ?
H10 C6 C13 63.11(5) 1_565 1_565 ?
H10 C6 H28 77.08(4) 1_565 1_565 ?
H11 C6 H12 143.49(6) 1_555 1_565 ?
H11 C6 H13 104.13(6) 1_555 1_555 ?
H11 C6 C7 95.79(7) 1_555 1_555 ?
H11 C6 H14 120.41(4) 1_555 1_555 ?
H11 C6 H15 83.60(4) 1_555 1_555 ?
H11 C6 C8 80.53(5) 1_555 1_555 ?
H11 C6 H17 87.88(3) 1_555 1_555 ?
H11 C6 H18 58.41(3) 1_555 1_555 ?
H11 C6 C13 80.19(5) 1_555 1_565 ?
H11 C6 H28 100.35(4) 1_555 1_565 ?
H12 C6 H13 104.69(8) 1_565 1_555 ?
H12 C6 C7 100.80(10) 1_565 1_555 ?
H12 C6 H14 80.22(6) 1_565 1_555 ?
H12 C6 H15 97.57(6) 1_565 1_555 ?
H12 C6 C8 125.83(9) 1_565 1_555 ?
H12 C6 H17 126.37(6) 1_565 1_555 ?
H12 C6 H18 146.77(6) 1_565 1_555 ?
H12 C6 C13 77.06(8) 1_565 1_565 ?
H12 C6 H28 59.34(6) 1_565 1_565 ?
H13 C6 C7 99.95(9) 1_555 1_555 ?
H13 C6 H14 92.29(6) 1_555 1_555 ?
H13 C6 H15 125.15(6) 1_555 1_555 ?
H13 C6 C8 81.09(8) 1_555 1_555 ?
H13 C6 H17 59.20(6) 1_555 1_555 ?
H13 C6 H18 84.04(6) 1_555 1_555 ?
H13 C6 C13 91.64(8) 1_555 1_565 ?
H13 C6 H28 87.35(6) 1_555 1_565 ?
C7 C6 H18 45.99(6) 1_555 1_555 ?
C7 C6 C13 168.36(9) 1_555 1_565 ?
C7 C6 H28 160.11(7) 1_555 1_565 ?
H14 C6 C8 45.61(4) 1_555 1_555 ?
H14 C6 H17 52.90(3) 1_555 1_555 ?
H14 C6 H18 67.29(3) 1_555 1_555 ?
H14 C6 C13 157.20(6) 1_555 1_565 ?
H14 C6 H28 137.86(3) 1_555 1_565 ?
H15 C6 C8 46.08(4) 1_555 1_555 ?
H15 C6 H17 67.12(3) 1_555 1_555 ?
H15 C6 H18 53.74(3) 1_555 1_555 ?
H15 C6 C13 142.53(5) 1_555 1_565 ?
H15 C6 H28 145.61(3) 1_555 1_565 ?
C8 C6 C13 157.03(7) 1_555 1_565 ?
C8 C6 H28 168.24(5) 1_555 1_565 ?
H17 C6 C13 144.75(5) 1_555 1_565 ?
H17 C6 H28 146.53(3) 1_555 1_565 ?
H18 C6 C13 135.49(5) 1_555 1_565 ?
H18 C6 H28 153.88(3) 1_555 1_565 ?
N1 H12 C6 55.69(9) 1_545 1_545 ?
N1 H12 H13 66.48(4) 1_545 1_545 ?
N1 H12 C7 102.86(6) 1_545 1_545 ?
N1 H12 H14 129.42(4) 1_545 1_545 ?
N1 H12 H15 102.38(4) 1_545 1_545 ?
N1 H12 H16 111.28(3) 1_545 2_646 ?
N1 H12 H17 129.28(4) 1_545 2_646 ?
N1 H12 H28 46.22(2) 1_545 1_555 ?
N1 H12 H30 60.63(3) 1_545 1_555 ?
C5 H12 H13 66.59(4) 1_545 1_545 ?
C5 H12 C7 78.01(6) 1_545 1_545 ?
C5 H12 H14 105.55(5) 1_545 1_545 ?
C5 H12 H15 74.53(4) 1_545 1_545 ?
C5 H12 H16 136.74(5) 1_545 2_646 ?
C5 H12 H17 141.58(5) 1_545 2_646 ?
C5 H12 C13 54.15(4) 1_545 1_555 ?
C5 H12 H28 73.14(4) 1_545 1_555 ?
C5 H12 H30 69.18(4) 1_545 1_555 ?
H10 H12 C6 58.26(7) 1_555 1_545 ?
H10 H12 H13 92.165(3) 1_555 1_545 ?
H10 H12 C7 81.42(4) 1_555 1_545 ?
H10 H12 H14 106.226(3) 1_555 1_545 ?
H10 H12 H15 67.8620(18) 1_555 1_545 ?
H10 H12 H16 128.177(3) 1_555 2_646 ?
H10 H12 H17 118.188(3) 1_555 2_646 ?
H10 H12 C13 61.38(3) 1_555 1_555 ?
H10 H12 H28 78.990(2) 1_555 1_555 ?
H10 H12 H30 52.7498(18) 1_555 1_555 ?
H11 H12 H13 59.077(2) 1_545 1_545 ?
H11 H12 C7 62.51(4) 1_545 1_545 ?
H11 H12 H14 89.986(2) 1_545 1_545 ?
H11 H12 H15 61.7204(16) 1_545 1_545 ?
H11 H12 H16 152.241(4) 1_545 2_646 ?
H11 H12 H17 152.056(4) 1_545 2_646 ?
H11 H12 C13 68.91(3) 1_545 1_555 ?
H11 H12 H28 87.579(2) 1_545 1_555 ?
H11 H12 H30 83.257(3) 1_545 1_555 ?
C6 H12 C7 49.02(8) 1_545 1_545 ?
C6 H12 H14 73.93(8) 1_545 1_545 ?
C6 H12 H15 58.86(7) 1_545 1_545 ?
C6 H12 H16 157.53(9) 1_545 2_646 ?
C6 H12 H17 170.52(9) 1_545 2_646 ?
C6 H12 C13 83.01(10) 1_545 1_555 ?
C6 H12 H28 98.99(8) 1_545 1_555 ?
C6 H12 H30 107.24(8) 1_545 1_555 ?
H13 H12 C7 66.02(4) 1_545 1_545 ?
H13 H12 H14 77.335(2) 1_545 1_545 ?
H13 H12 H15 86.033(3) 1_545 1_545 ?
H13 H12 H16 122.088(5) 1_545 2_646 ?
H13 H12 H17 148.551(6) 1_545 2_646 ?
H13 H12 C13 83.46(4) 1_545 1_555 ?
H13 H12 H28 89.636(3) 1_545 1_555 ?
H13 H12 H30 126.895(4) 1_545 1_555 ?
C7 H12 H16 145.23(5) 1_545 2_646 ?
C7 H12 H17 123.21(5) 1_545 2_646 ?
C7 H12 C13 130.85(7) 1_545 1_555 ?
C7 H12 H28 148.00(5) 1_545 1_555 ?
C7 H12 H30 129.79(5) 1_545 1_555 ?
H14 H12 H16 117.708(4) 1_545 2_646 ?
H14 H12 H17 99.964(4) 1_545 2_646 ?
H14 H12 C13 156.86(5) 1_545 1_555 ?
H14 H12 H28 166.018(4) 1_545 1_555 ?
H14 H12 H30 143.402(3) 1_545 1_555 ?
H15 H12 H16 142.453(4) 1_545 2_646 ?
H15 H12 H17 111.829(4) 1_545 2_646 ?
H15 H12 C13 127.52(4) 1_545 1_555 ?
H15 H12 H28 146.340(3) 1_545 1_555 ?
H15 H12 H30 108.974(3) 1_545 1_555 ?
H16 H12 C13 83.46(3) 2_646 1_555 ?
H16 H12 H28 65.1098(18) 2_646 1_555 ?
H16 H12 H30 75.442(2) 2_646 1_555 ?
H17 H12 C13 103.15(4) 2_646 1_555 ?
H17 H12 H28 88.466(2) 2_646 1_555 ?
H17 H12 H30 73.166(2) 2_646 1_555 ?
C13 H12 H30 46.48(2) 1_555 1_555 ?
H28 H12 H30 49.8321(15) 1_555 1_555 ?
N1 H13 H1 49.63(3) 1_555 1_555 ?
N1 H13 C2 49.65(3) 1_555 1_555 ?
N1 H13 H4 63.53(3) 1_555 1_555 ?
N1 H13 H11 46.36(3) 1_555 1_555 ?
N1 H13 C6 66.12(9) 1_555 1_555 ?
N1 H13 H12 79.63(4) 1_555 1_565 ?
N1 H13 C7 109.67(6) 1_555 1_555 ?
N1 H13 H14 128.94(4) 1_555 1_555 ?
N1 H13 H15 97.75(4) 1_555 1_555 ?
N1 H13 C8 117.86(6) 1_555 1_555 ?
N1 H13 H17 131.30(4) 1_555 1_555 ?
N1 H13 H18 99.30(4) 1_555 1_555 ?
C1 H13 H4 51.40(3) 1_555 1_555 ?
C1 H13 C5 59.00(4) 1_555 1_555 ?
C1 H13 H10 72.85(3) 1_555 1_565 ?
C1 H13 H11 65.10(3) 1_555 1_555 ?
C1 H13 C6 96.60(10) 1_555 1_555 ?
C1 H13 H12 105.03(4) 1_555 1_565 ?
C1 H13 C7 136.24(6) 1_555 1_555 ?
C1 H13 H14 158.72(4) 1_555 1_555 ?
C1 H13 H15 125.29(4) 1_555 1_555 ?
C1 H13 C8 129.23(6) 1_555 1_555 ?
C1 H13 H17 127.46(4) 1_555 1_555 ?
C1 H13 H18 107.47(3) 1_555 1_555 ?
C1 H13 H28 54.47(3) 1_555 1_565 ?
H1 H13 H4 61.9728(18) 1_555 1_555 ?
H1 H13 C5 79.93(4) 1_555 1_555 ?
H1 H13 H10 92.391(3) 1_555 1_565 ?
H1 H13 H11 86.582(3) 1_555 1_555 ?
H1 H13 C6 114.42(8) 1_555 1_555 ?
H1 H13 H12 111.198(3) 1_555 1_565 ?
H1 H13 C7 157.96(5) 1_555 1_555 ?
H1 H13 H14 173.882(4) 1_555 1_555 ?
H1 H13 H15 146.784(4) 1_555 1_555 ?
H1 H13 C8 142.87(5) 1_555 1_555 ?
H1 H13 H17 130.217(3) 1_555 1_555 ?
H1 H13 H18 122.540(3) 1_555 1_555 ?
H1 H13 H28 55.5703(19) 1_555 1_565 ?
C2 H13 C5 64.53(5) 1_555 1_555 ?
C2 H13 H10 81.07(3) 1_555 1_565 ?
C2 H13 H11 56.37(3) 1_555 1_555 ?
C2 H13 C6 104.95(10) 1_555 1_555 ?
C2 H13 H12 129.02(5) 1_555 1_565 ?
C2 H13 C7 121.68(6) 1_555 1_555 ?
C2 H13 H14 143.40(4) 1_555 1_555 ?
C2 H13 H15 115.61(4) 1_555 1_555 ?
C2 H13 C8 101.66(5) 1_555 1_555 ?
C2 H13 H17 96.44(4) 1_555 1_555 ?
C2 H13 H18 80.77(3) 1_555 1_555 ?
C2 H13 H28 85.09(3) 1_555 1_565 ?
H4 H13 C5 67.36(4) 1_555 1_555 ?
H4 H13 H10 82.785(2) 1_555 1_565 ?
H4 H13 H11 50.8762(16) 1_555 1_555 ?
H4 H13 C6 102.87(8) 1_555 1_555 ?
H4 H13 H12 136.270(5) 1_555 1_565 ?
H4 H13 C7 104.28(4) 1_555 1_555 ?
H4 H13 H14 123.621(3) 1_555 1_555 ?
H4 H13 H15 100.949(3) 1_555 1_555 ?
H4 H13 C8 81.07(3) 1_555 1_555 ?
H4 H13 H17 76.286(2) 1_555 1_555 ?
H4 H13 H18 60.7361(17) 1_555 1_555 ?
H4 H13 H28 104.137(4) 1_555 1_565 ?
C5 H13 H12 68.93(5) 1_555 1_565 ?
C5 H13 C7 78.72(6) 1_555 1_555 ?
C5 H13 H14 99.72(5) 1_555 1_555 ?
C5 H13 H15 66.96(4) 1_555 1_555 ?
C5 H13 C8 89.54(6) 1_555 1_555 ?
C5 H13 H17 108.91(5) 1_555 1_555 ?
C5 H13 H18 75.01(4) 1_555 1_555 ?
C5 H13 H28 63.63(4) 1_555 1_565 ?
H10 H13 H12 53.637(2) 1_565 1_565 ?
H10 H13 C7 67.82(4) 1_565 1_555 ?
H10 H13 H14 86.175(2) 1_565 1_555 ?
H10 H13 H15 55.7607(18) 1_565 1_555 ?
H10 H13 C8 86.00(3) 1_565 1_555 ?
H10 H13 H17 108.786(3) 1_565 1_555 ?
H10 H13 H18 76.722(2) 1_565 1_555 ?
H10 H13 H28 62.5084(18) 1_565 1_565 ?
H11 H13 C6 52.00(7) 1_555 1_555 ?
H11 H13 H12 86.928(3) 1_555 1_565 ?
H11 H13 C7 71.62(4) 1_555 1_555 ?
H11 H13 H14 95.490(3) 1_555 1_555 ?
H11 H13 H15 62.0192(19) 1_555 1_555 ?
H11 H13 C8 71.55(3) 1_555 1_555 ?
H11 H13 H17 87.272(2) 1_555 1_555 ?
H11 H13 H18 53.6444(16) 1_555 1_555 ?
H11 H13 H28 86.119(2) 1_555 1_565 ?
C6 H13 C7 48.95(8) 1_555 1_555 ?
C6 H13 H14 63.11(7) 1_555 1_555 ?
C6 H13 C8 75.37(9) 1_555 1_555 ?
C6 H13 H17 99.68(8) 1_555 1_555 ?
C6 H13 H18 74.99(7) 1_555 1_555 ?
C6 H13 H28 71.30(7) 1_555 1_565 ?
H12 H13 C7 65.54(4) 1_565 1_555 ?
H12 H13 H14 63.2651(19) 1_565 1_555 ?
H12 H13 H15 59.881(2) 1_565 1_555 ?
H12 H13 C8 97.54(4) 1_565 1_555 ?
H12 H13 H17 117.716(4) 1_565 1_555 ?
H12 H13 H18 106.445(4) 1_565 1_555 ?
H12 H13 H28 55.6700(19) 1_565 1_565 ?
C7 H13 H17 53.92(3) 1_555 1_555 ?
C7 H13 H18 45.57(3) 1_555 1_555 ?
C7 H13 H28 117.79(4) 1_555 1_565 ?
H14 H13 H17 55.7445(18) 1_555 1_555 ?
H14 H13 H18 62.9058(18) 1_555 1_555 ?
H14 H13 H28 118.743(3) 1_555 1_565 ?
H15 H13 H17 62.9805(18) 1_555 1_555 ?
H15 H13 H18 47.2971(17) 1_555 1_555 ?
H15 H13 H28 108.259(3) 1_555 1_565 ?
C8 H13 H28 146.59(4) 1_555 1_565 ?
H17 H13 H28 170.896(4) 1_555 1_565 ?
H18 H13 H28 138.431(4) 1_555 1_565 ?
C5 C7 H12 54.18(5) 1_555 1_565 ?
C5 C7 H13 53.08(4) 1_555 1_555 ?
C5 C7 H14 146.90(9) 1_555 1_555 ?
C5 C7 H15 91.96(8) 1_555 1_555 ?
C5 C7 C8 109.06(9) 1_555 1_555 ?
C5 C7 H16 127.50(6) 1_555 1_555 ?
C5 C7 H17 106.09(6) 1_555 1_555 ?
C5 C7 H18 82.69(5) 1_555 1_555 ?
H10 C7 H12 54.71(3) 1_565 1_565 ?
H10 C7 H13 71.53(3) 1_565 1_555 ?
H10 C7 H14 139.62(6) 1_565 1_555 ?
H10 C7 H15 72.88(5) 1_565 1_555 ?
H10 C7 C8 121.65(8) 1_565 1_555 ?
H10 C7 H16 132.96(3) 1_565 1_555 ?
H10 C7 H17 125.99(3) 1_565 1_555 ?
H10 C7 H18 93.20(3) 1_565 1_555 ?
H11 C7 C6 49.46(6) 1_555 1_555 ?
H11 C7 H12 76.09(3) 1_555 1_565 ?
H11 C7 H13 63.14(3) 1_555 1_555 ?
H11 C7 H14 168.07(6) 1_555 1_555 ?
H11 C7 H15 86.91(5) 1_555 1_555 ?
H11 C7 C8 88.77(7) 1_555 1_555 ?
H11 C7 H16 105.58(3) 1_555 1_555 ?
H11 C7 H17 92.37(3) 1_555 1_555 ?
H11 C7 H18 61.26(3) 1_555 1_555 ?
C6 C7 H14 118.65(11) 1_555 1_555 ?
C6 C7 H15 114.39(10) 1_555 1_555 ?
C6 C7 C8 120.80(12) 1_555 1_555 ?
C6 C7 H16 143.88(8) 1_555 1_555 ?
C6 C7 H17 103.81(8) 1_555 1_555 ?
C6 C7 H18 102.07(7) 1_555 1_555 ?
H12 C7 H13 48.43(4) 1_565 1_555 ?
H12 C7 H14 92.73(6) 1_565 1_555 ?
H12 C7 H15 108.52(6) 1_565 1_555 ?
H12 C7 C8 146.69(8) 1_565 1_555 ?
H12 C7 H16 166.47(4) 1_565 1_555 ?
H12 C7 H17 122.01(4) 1_565 1_555 ?
H12 C7 H18 132.24(4) 1_565 1_555 ?
H13 C7 H14 106.33(6) 1_555 1_555 ?
H13 C7 H15 144.41(6) 1_555 1_555 ?
H13 C7 C8 98.26(8) 1_555 1_555 ?
H13 C7 H16 119.84(3) 1_555 1_555 ?
H13 C7 H17 75.37(4) 1_555 1_555 ?
H13 C7 H18 91.12(4) 1_555 1_555 ?
H14 C7 H15 100.82(7) 1_555 1_555 ?
H14 C7 C8 98.71(10) 1_555 1_555 ?
H14 C7 H16 84.30(6) 1_555 1_555 ?
H14 C7 H17 90.05(6) 1_555 1_555 ?
H14 C7 H18 127.07(6) 1_555 1_555 ?
H15 C7 C8 99.93(10) 1_555 1_555 ?
H15 C7 H16 85.01(6) 1_555 1_555 ?
H15 C7 H17 127.68(6) 1_555 1_555 ?
H15 C7 H18 90.51(6) 1_555 1_555 ?
H16 C7 H18 45.05(4) 1_555 1_555 ?
H17 C7 H18 45.99(4) 1_555 1_555 ?
H9 H14 C6 137.10(5) 2_656 1_555 ?
H9 H14 H12 114.543(3) 2_656 1_565 ?
H9 H14 H13 151.746(4) 2_656 1_555 ?
H9 H14 C7 137.45(8) 2_656 1_555 ?
H9 H14 H15 99.177(3) 2_656 1_555 ?
H9 H14 C8 136.63(5) 2_656 1_555 ?
H9 H14 H16 111.590(4) 2_656 1_555 ?
H9 H14 H17 145.108(4) 2_656 1_555 ?
H9 H14 H18 139.441(4) 2_656 1_555 ?
C6 H14 H15 66.33(4) 1_555 1_555 ?
C6 H14 C8 75.49(6) 1_555 1_555 ?
C6 H14 H16 100.96(5) 1_555 1_555 ?
C6 H14 H17 77.30(4) 1_555 1_555 ?
C6 H14 H18 66.17(4) 1_555 1_555 ?
H12 H14 C7 59.73(7) 1_565 1_555 ?
H12 H14 H15 77.905(2) 1_565 1_555 ?
H12 H14 C8 101.34(5) 1_565 1_555 ?
H12 H14 H16 126.652(4) 1_565 1_555 ?
H12 H14 H17 100.281(3) 1_565 1_555 ?
H12 H14 H18 91.843(3) 1_565 1_555 ?
H13 H14 C7 49.68(6) 1_555 1_555 ?
H13 H14 H15 86.572(3) 1_555 1_555 ?
H13 H14 C8 70.67(4) 1_555 1_555 ?
H13 H14 H16 96.389(3) 1_555 1_555 ?
H13 H14 H17 61.7593(19) 1_555 1_555 ?
H13 H14 H18 65.3756(18) 1_555 1_555 ?
C7 H14 C8 47.08(8) 1_555 1_555 ?
C7 H14 H16 68.46(7) 1_555 1_555 ?
C7 H14 H17 62.90(7) 1_555 1_555 ?
H15 H14 C8 64.37(4) 1_555 1_555 ?
H15 H14 H16 69.620(2) 1_555 1_555 ?
H15 H14 H17 89.798(3) 1_555 1_555 ?
H15 H14 H18 55.001(2) 1_555 1_555 ?
C5 H15 H12 47.21(2) 1_555 1_565 ?
C5 H15 C7 66.63(9) 1_555 1_555 ?
C5 H15 H14 101.78(5) 1_555 1_555 ?
C5 H15 C8 87.38(6) 1_555 1_555 ?
C5 H15 H16 111.88(4) 1_555 1_555 ?
C5 H15 H17 82.95(3) 1_555 1_555 ?
C5 H15 H18 73.48(3) 1_555 1_555 ?
H10 H15 C6 46.68(3) 1_565 1_555 ?
H10 H15 H12 52.9063(16) 1_565 1_565 ?
H10 H15 H13 62.0558(19) 1_565 1_555 ?
H10 H15 C7 85.59(8) 1_565 1_555 ?
H10 H15 H14 115.083(4) 1_565 1_555 ?
H10 H15 C8 108.25(5) 1_565 1_555 ?
H10 H15 H16 131.286(3) 1_565 1_555 ?
H10 H15 H17 104.413(3) 1_565 1_555 ?
H10 H15 H18 90.825(3) 1_565 1_555 ?
H11 H15 C6 46.07(3) 1_555 1_555 ?
H11 H15 H12 66.0923(17) 1_555 1_565 ?
H11 H15 H13 51.9598(17) 1_555 1_555 ?
H11 H15 C7 71.32(7) 1_555 1_555 ?
H11 H15 H14 110.892(3) 1_555 1_555 ?
H11 H15 C8 76.07(4) 1_555 1_555 ?
H11 H15 H16 97.107(3) 1_555 1_555 ?
H11 H15 H17 75.2198(20) 1_555 1_555 ?
H11 H15 H18 56.4670(18) 1_555 1_555 ?
C6 H15 H14 70.56(4) 1_555 1_555 ?
C6 H15 C8 77.06(6) 1_555 1_555 ?
C6 H15 H16 102.79(5) 1_555 1_555 ?
C6 H15 H17 68.02(4) 1_555 1_555 ?
C6 H15 H18 77.45(4) 1_555 1_555 ?
H12 H15 C7 48.37(6) 1_565 1_555 ?
H12 H15 H14 63.0536(18) 1_565 1_555 ?
H12 H15 C8 93.69(4) 1_565 1_555 ?
H12 H15 H16 116.710(3) 1_565 1_555 ?
H12 H15 H17 82.931(3) 1_565 1_555 ?
H12 H15 H18 99.866(4) 1_565 1_555 ?
H13 H15 H14 59.543(2) 1_555 1_555 ?
H13 H15 C8 61.07(4) 1_555 1_555 ?
H13 H15 H16 86.262(2) 1_555 1_555 ?
H13 H15 H17 51.3819(16) 1_555 1_555 ?
H13 H15 H18 66.355(2) 1_555 1_555 ?
C7 H15 C8 46.78(8) 1_555 1_555 ?
C7 H15 H16 68.34(7) 1_555 1_555 ?
C7 H15 H18 62.91(7) 1_555 1_555 ?
H14 H15 C8 64.20(4) 1_555 1_555 ?
H14 H15 H16 69.317(3) 1_555 1_555 ?
H14 H15 H17 55.372(2) 1_555 1_555 ?
H14 H15 H18 90.228(3) 1_555 1_555 ?
H11 C8 H13 52.97(3) 1_555 1_555 ?
H11 C8 C7 63.51(7) 1_555 1_555 ?
H11 C8 H14 97.34(3) 1_555 1_555 ?
H11 C8 H15 66.32(3) 1_555 1_555 ?
H11 C8 H16 142.56(6) 1_555 1_555 ?
H11 C8 H17 107.10(5) 1_555 1_555 ?
H11 C8 H18 52.30(6) 1_555 1_555 ?
C6 C8 H14 58.90(5) 1_555 1_555 ?
C6 C8 H15 56.86(5) 1_555 1_555 ?
C6 C8 H16 156.47(9) 1_555 1_555 ?
C6 C8 H17 96.50(8) 1_555 1_555 ?
C6 C8 H18 93.96(8) 1_555 1_555 ?
H13 C8 C7 49.74(6) 1_555 1_555 ?
H13 C8 H14 66.32(3) 1_555 1_555 ?
H13 C8 H15 79.62(3) 1_555 1_555 ?
H13 C8 H16 163.60(6) 1_555 1_555 ?
H13 C8 H17 72.97(5) 1_555 1_555 ?
H13 C8 H18 96.01(6) 1_555 1_555 ?
C7 C8 H16 125.38(11) 1_555 1_555 ?
C7 C8 H17 115.14(11) 1_555 1_555 ?
C7 C8 H18 113.95(11) 1_555 1_555 ?
H14 C8 H15 51.43(4) 1_555 1_555 ?
H14 C8 H16 101.37(6) 1_555 1_555 ?
H14 C8 H17 101.81(6) 1_555 1_555 ?
H14 C8 H18 147.95(6) 1_555 1_555 ?
H15 C8 H16 101.53(6) 1_555 1_555 ?
H15 C8 H17 148.30(6) 1_555 1_555 ?
H15 C8 H18 100.78(6) 1_555 1_555 ?
H16 C8 H17 100.43(7) 1_555 1_555 ?
H16 C8 H18 99.79(7) 1_555 1_555 ?
H17 C8 H18 97.69(7) 1_555 1_555 ?
H12 H16 C7 132.93(5) 2_656 1_555 ?
H12 H16 H14 130.618(5) 2_656 1_555 ?
H12 H16 H15 156.765(5) 2_656 1_555 ?
H12 H16 C8 104.57(8) 2_656 1_555 ?
H12 H16 H17 68.033(3) 2_656 1_555 ?
H12 H16 H18 90.683(3) 2_656 1_555 ?
H12 H16 H28 46.6232(15) 2_656 2_656 ?
H12 H16 H32 89.071(3) 2_656 2_656 ?
C7 H16 H17 64.92(4) 1_555 1_555 ?
C7 H16 H18 64.70(4) 1_555 1_555 ?
C7 H16 H28 147.91(5) 1_555 2_656 ?
C7 H16 H32 100.28(4) 1_555 2_656 ?
H14 H16 C8 52.44(6) 1_555 1_555 ?
H14 H16 H17 70.431(3) 1_555 1_555 ?
H14 H16 H18 90.881(3) 1_555 1_555 ?
H14 H16 H28 122.106(4) 1_555 2_656 ?
H14 H16 H32 73.049(2) 1_555 2_656 ?
H15 H16 C8 52.35(6) 1_555 1_555 ?
H15 H16 H17 90.531(3) 1_555 1_555 ?
H15 H16 H18 70.036(2) 1_555 1_555 ?
H15 H16 H28 153.626(4) 1_555 2_656 ?
H15 H16 H32 104.020(3) 1_555 2_656 ?
C8 H16 H28 142.24(9) 1_555 2_656 ?
C8 H16 H32 118.41(9) 1_555 2_656 ?
H17 H16 H18 59.9637(19) 1_555 1_555 ?
H17 H16 H28 101.972(3) 1_555 2_656 ?
H17 H16 H32 100.102(3) 1_555 2_656 ?
H18 H16 H28 136.279(4) 1_555 2_656 ?
H18 H16 H32 158.291(4) 1_555 2_656 ?
H28 H16 H32 51.2628(17) 2_656 2_656 ?
C6 H17 H12 167.51(4) 1_555 2_656 ?
C6 H17 H14 49.81(3) 1_555 1_555 ?
C6 H17 C8 61.60(8) 1_555 1_555 ?
C6 H17 H16 99.32(5) 1_555 1_555 ?
C6 H17 H18 72.11(4) 1_555 1_555 ?
H12 H17 H13 157.919(5) 2_656 1_555 ?
H12 H17 C7 150.08(5) 2_656 1_555 ?
H12 H17 H14 138.770(5) 2_656 1_555 ?
H12 H17 H15 133.803(4) 2_656 1_555 ?
H12 H17 C8 114.66(8) 2_656 1_555 ?
H12 H17 H16 80.041(3) 2_656 1_555 ?
H12 H17 H18 97.191(3) 2_656 1_555 ?
H13 H17 C7 50.71(3) 1_555 1_555 ?
H13 H17 H14 62.4962(19) 1_555 1_555 ?
H13 H17 H15 65.6376(19) 1_555 1_555 ?
H13 H17 C8 82.70(7) 1_555 1_555 ?
H13 H17 H16 120.225(3) 1_555 1_555 ?
H13 H17 H18 87.134(2) 1_555 1_555 ?
C7 H17 H16 70.08(4) 1_555 1_555 ?
C7 H17 H18 66.81(4) 1_555 1_555 ?
H14 H17 C8 51.48(6) 1_555 1_555 ?
H14 H17 H16 68.660(3) 1_555 1_555 ?
H14 H17 H18 89.950(3) 1_555 1_555 ?
H15 H17 H16 54.5882(20) 1_555 1_555 ?
H15 H17 H18 55.123(2) 1_555 1_555 ?
H16 H17 H18 60.0121(19) 1_555 1_555 ?
H4 H18 H11 48.8920(15) 1_555 1_555 ?
H4 H18 C6 65.12(3) 1_555 1_555 ?
H4 H18 H13 54.5489(16) 1_555 1_555 ?
H4 H18 C7 96.09(4) 1_555 1_555 ?
H4 H18 H14 106.252(3) 1_555 1_555 ?
H4 H18 H15 111.978(3) 1_555 1_555 ?
H4 H18 C8 113.29(8) 1_555 1_555 ?
H4 H18 H16 146.631(4) 1_555 1_555 ?
H4 H18 H17 86.685(3) 1_555 1_555 ?
H11 H18 H13 54.8340(16) 1_555 1_555 ?
H11 H18 C7 71.22(4) 1_555 1_555 ?
H11 H18 H14 88.308(2) 1_555 1_555 ?
H11 H18 H15 71.5781(20) 1_555 1_555 ?
H11 H18 C8 107.37(8) 1_555 1_555 ?
H11 H18 H16 139.883(4) 1_555 1_555 ?
H11 H18 H17 113.252(3) 1_555 1_555 ?
C6 H18 H14 46.55(3) 1_555 1_555 ?
C6 H18 H15 48.80(3) 1_555 1_555 ?
C6 H18 C8 63.52(8) 1_555 1_555 ?
C6 H18 H16 100.83(5) 1_555 1_555 ?
C6 H18 H17 74.68(4) 1_555 1_555 ?
H13 H18 H14 51.7186(16) 1_555 1_555 ?
H13 H18 H15 66.348(2) 1_555 1_555 ?
H13 H18 C8 62.23(7) 1_555 1_555 ?
H13 H18 H16 101.269(3) 1_555 1_555 ?
H13 H18 H17 58.9346(20) 1_555 1_555 ?
C7 H18 H16 70.25(4) 1_555 1_555 ?
C7 H18 H17 67.20(4) 1_555 1_555 ?
H14 H18 H16 54.305(2) 1_555 1_555 ?
H14 H18 H17 55.251(2) 1_555 1_555 ?
H15 H18 C8 52.06(6) 1_555 1_555 ?
H15 H18 H16 69.034(2) 1_555 1_555 ?
H15 H18 H17 90.020(3) 1_555 1_555 ?
H16 H18 H17 60.0242(19) 1_555 1_555 ?
N1 C9 H2 50.86(6) 1_555 1_555 ?
N1 C9 C2 57.46(7) 1_555 1_555 ?
N1 C9 H3 78.30(6) 1_555 1_555 ?
N1 C9 H10 58.03(6) 1_555 1_565 ?
N1 C9 H11 61.16(6) 1_555 1_555 ?
N1 C9 H19 126.07(10) 1_555 1_555 ?
N1 C9 H20 124.04(9) 1_555 1_555 ?
N1 C9 C10 101.70(10) 1_555 1_555 ?
N1 C9 H21 100.34(7) 1_555 1_555 ?
N1 C9 H22 95.61(7) 1_555 1_565 ?
N1 C9 C11 141.67(10) 1_555 1_555 ?
N1 C9 H23 151.83(7) 1_555 1_555 ?
N1 C9 H24 150.33(7) 1_555 1_555 ?
N1 C9 H29 47.28(6) 1_555 1_565 ?
N1 C9 C14 57.11(7) 1_555 1_565 ?
N1 C9 H31 78.81(6) 1_555 1_565 ?
C1 C9 H3 50.46(4) 1_555 1_555 ?
C1 C9 C5 64.59(6) 1_555 1_555 ?
C1 C9 H10 87.66(4) 1_555 1_565 ?
C1 C9 H11 72.84(4) 1_555 1_555 ?
C1 C9 H19 99.25(8) 1_555 1_555 ?
C1 C9 H20 155.47(8) 1_555 1_555 ?
C1 C9 C10 85.70(7) 1_555 1_555 ?
C1 C9 H21 75.53(4) 1_555 1_555 ?
C1 C9 H22 90.73(5) 1_555 1_565 ?
C1 C9 C11 122.15(7) 1_555 1_555 ?
C1 C9 H23 122.02(4) 1_555 1_555 ?
C1 C9 H24 143.55(5) 1_555 1_555 ?
C1 C9 C13 50.70(5) 1_555 1_565 ?
C1 C9 H29 54.84(4) 1_555 1_565 ?
C1 C9 C14 83.30(5) 1_555 1_565 ?
C1 C9 H31 103.03(5) 1_555 1_565 ?
H2 C9 H3 50.26(2) 1_555 1_555 ?
H2 C9 C5 85.92(5) 1_555 1_555 ?
H2 C9 H10 108.10(3) 1_555 1_565 ?
H2 C9 H11 92.90(3) 1_555 1_555 ?
H2 C9 H19 93.12(6) 1_555 1_555 ?
H2 C9 H20 154.28(5) 1_555 1_555 ?
H2 C9 C10 65.53(6) 1_555 1_555 ?
H2 C9 H21 54.12(3) 1_555 1_555 ?
H2 C9 H22 74.19(3) 1_555 1_565 ?
H2 C9 C11 100.75(5) 1_555 1_555 ?
H2 C9 H23 102.02(2) 1_555 1_555 ?
H2 C9 H24 122.41(2) 1_555 1_555 ?
H2 C9 C13 56.83(4) 1_555 1_565 ?
H2 C9 H29 51.82(2) 1_555 1_565 ?
H2 C9 C14 88.49(4) 1_555 1_565 ?
H2 C9 H31 103.56(3) 1_555 1_565 ?
C2 C9 C5 67.52(6) 1_555 1_555 ?
C2 C9 H10 93.01(4) 1_555 1_565 ?
C2 C9 H11 60.08(4) 1_555 1_555 ?
C2 C9 H19 69.15(8) 1_555 1_555 ?
C2 C9 H20 164.20(9) 1_555 1_555 ?
C2 C9 C10 100.31(8) 1_555 1_555 ?
C2 C9 H21 82.40(5) 1_555 1_555 ?
C2 C9 H22 113.83(5) 1_555 1_565 ?
C2 C9 C11 121.14(7) 1_555 1_555 ?
C2 C9 H23 109.12(5) 1_555 1_555 ?
C2 C9 H24 141.27(5) 1_555 1_555 ?
C2 C9 C13 82.47(5) 1_555 1_565 ?
C2 C9 H29 87.34(4) 1_555 1_565 ?
C2 C9 C14 113.82(6) 1_555 1_565 ?
C2 C9 H31 134.89(5) 1_555 1_565 ?
H3 C9 C5 84.55(5) 1_555 1_555 ?
H3 C9 H10 108.60(3) 1_555 1_565 ?
H3 C9 H11 70.32(3) 1_555 1_555 ?
H3 C9 H19 49.08(6) 1_555 1_555 ?
H3 C9 H20 153.27(5) 1_555 1_555 ?
H3 C9 C10 94.39(6) 1_555 1_555 ?
H3 C9 H21 74.14(3) 1_555 1_555 ?
H3 C9 H22 112.67(3) 1_555 1_565 ?
H3 C9 C11 103.95(5) 1_555 1_555 ?
H3 C9 H23 89.32(3) 1_555 1_555 ?
H3 C9 H24 121.59(3) 1_555 1_555 ?
H3 C9 C13 101.17(5) 1_555 1_565 ?
H3 C9 H29 101.69(3) 1_555 1_565 ?
H3 C9 C14 133.65(5) 1_555 1_565 ?
H3 C9 H31 153.04(3) 1_555 1_565 ?
C5 C9 H19 112.50(9) 1_555 1_555 ?
C5 C9 H20 103.02(9) 1_555 1_555 ?
C5 C9 C10 142.18(10) 1_555 1_555 ?
C5 C9 H21 139.69(6) 1_555 1_555 ?
C5 C9 H22 130.85(6) 1_555 1_565 ?
C5 C9 C11 171.33(9) 1_555 1_555 ?
C5 C9 H23 163.34(6) 1_555 1_555 ?
C5 C9 H24 149.35(6) 1_555 1_555 ?
C5 C9 C13 63.90(6) 1_555 1_565 ?
C5 C9 H29 83.67(5) 1_555 1_565 ?
C5 C9 C14 70.55(6) 1_555 1_565 ?
C5 C9 H31 87.46(5) 1_555 1_565 ?
H10 C9 H19 122.31(6) 1_565 1_555 ?
H10 C9 H20 77.43(5) 1_565 1_555 ?
H10 C9 C10 143.53(7) 1_565 1_555 ?
H10 C9 H21 155.64(3) 1_565 1_555 ?
H10 C9 H22 124.13(3) 1_565 1_565 ?
H10 C9 C11 145.72(7) 1_565 1_555 ?
H10 C9 H23 149.84(3) 1_565 1_555 ?
H10 C9 H24 123.83(3) 1_565 1_555 ?
H10 C9 C13 68.83(5) 1_565 1_565 ?
H10 C9 H29 87.76(3) 1_565 1_565 ?
H10 C9 C14 59.78(4) 1_565 1_565 ?
H10 C9 H31 70.15(3) 1_565 1_565 ?
H11 C9 H19 87.18(6) 1_555 1_555 ?
H11 C9 H20 105.71(5) 1_555 1_555 ?
H11 C9 C10 158.42(8) 1_555 1_555 ?
H11 C9 H21 142.48(3) 1_555 1_555 ?
H11 C9 H22 156.12(3) 1_555 1_565 ?
H11 C9 C11 156.33(7) 1_555 1_555 ?
H11 C9 H23 137.70(3) 1_555 1_555 ?
H11 C9 H24 142.75(3) 1_555 1_555 ?
H11 C9 C13 88.50(5) 1_555 1_565 ?
H11 C9 H29 107.58(3) 1_555 1_565 ?
H11 C9 C14 95.69(5) 1_555 1_565 ?
H11 C9 H31 110.04(3) 1_555 1_565 ?
H19 C9 H20 105.17(7) 1_555 1_555 ?
H19 C9 C10 94.16(9) 1_555 1_555 ?
H19 C9 H21 78.45(6) 1_555 1_555 ?
H19 C9 H22 113.05(6) 1_555 1_565 ?
H19 C9 C11 72.96(9) 1_555 1_555 ?
H19 C9 H23 53.04(6) 1_555 1_555 ?
H19 C9 H24 80.02(6) 1_555 1_555 ?
H19 C9 C13 149.37(9) 1_555 1_565 ?
H19 C9 H29 141.47(6) 1_555 1_565 ?
H19 C9 C14 176.64(10) 1_555 1_565 ?
H19 C9 H31 155.02(6) 1_555 1_565 ?
H20 C9 C10 94.74(9) 1_555 1_555 ?
H20 C9 H21 111.44(5) 1_555 1_555 ?
H20 C9 H22 81.96(5) 1_555 1_565 ?
H20 C9 C11 68.62(8) 1_555 1_555 ?
H20 C9 H23 76.14(5) 1_555 1_555 ?
H20 C9 H24 46.40(5) 1_555 1_555 ?
H20 C9 C13 105.19(8) 1_555 1_565 ?
H20 C9 H29 104.60(5) 1_555 1_565 ?
H20 C9 C14 72.39(7) 1_555 1_565 ?
H20 C9 H31 53.69(5) 1_555 1_565 ?
C10 C9 H23 53.65(6) 1_555 1_555 ?
C10 C9 H24 58.22(6) 1_555 1_555 ?
C10 C9 C13 79.40(8) 1_555 1_565 ?
C10 C9 H29 59.45(6) 1_555 1_565 ?
C10 C9 C14 83.82(8) 1_555 1_565 ?
C10 C9 H31 76.53(6) 1_555 1_565 ?
H21 C9 C11 46.63(4) 1_555 1_555 ?
H21 C9 H23 51.65(3) 1_555 1_555 ?
H21 C9 H24 68.59(3) 1_555 1_555 ?
H21 C9 C13 86.83(5) 1_555 1_565 ?
H21 C9 H29 68.20(3) 1_555 1_565 ?
H21 C9 C14 100.18(5) 1_555 1_565 ?
H21 C9 H31 96.25(3) 1_555 1_565 ?
H22 C9 C11 47.55(4) 1_565 1_555 ?
H22 C9 H23 65.77(3) 1_565 1_555 ?
H22 C9 H24 57.60(3) 1_565 1_555 ?
H22 C9 C13 67.61(5) 1_565 1_565 ?
H22 C9 H29 48.67(3) 1_565 1_565 ?
H22 C9 C14 64.57(4) 1_565 1_565 ?
H22 C9 H31 55.94(3) 1_565 1_565 ?
C11 C9 C13 115.15(7) 1_555 1_565 ?
C11 C9 H29 96.05(5) 1_555 1_565 ?
C11 C9 C14 103.85(7) 1_555 1_565 ?
C11 C9 H31 85.60(5) 1_555 1_565 ?
H23 C9 C13 132.66(5) 1_555 1_565 ?
H23 C9 H29 112.79(2) 1_555 1_565 ?
H23 C9 C14 123.72(5) 1_555 1_565 ?
H23 C9 H31 104.56(3) 1_555 1_565 ?
H24 C9 C13 119.37(5) 1_555 1_565 ?
H24 C9 H29 104.06(2) 1_555 1_565 ?
H24 C9 C14 96.63(5) 1_555 1_565 ?
H24 C9 H31 75.37(3) 1_555 1_565 ?
C13 C9 H31 52.51(4) 1_565 1_565 ?
H29 C9 H31 51.75(3) 1_565 1_565 ?
N1 H19 H2 46.12(3) 1_555 1_555 ?
N1 H19 C2 58.40(4) 1_555 1_555 ?
N1 H19 H3 81.23(4) 1_555 1_555 ?
N1 H19 H4 62.22(3) 1_555 1_555 ?
N1 H19 H11 51.69(3) 1_555 1_555 ?
N1 H19 H20 67.67(4) 1_555 1_555 ?
N1 H19 C10 67.96(5) 1_555 1_555 ?
N1 H19 H21 81.03(4) 1_555 1_555 ?
N1 H19 H22 66.74(3) 1_555 1_565 ?
N1 H19 C11 107.08(7) 1_555 1_555 ?
N1 H19 H23 131.99(5) 1_555 1_555 ?
N1 H19 H24 109.38(4) 1_555 1_555 ?
C1 H19 H3 53.18(3) 1_555 1_555 ?
C1 H19 H4 46.31(2) 1_555 1_555 ?
C1 H19 C5 52.76(3) 1_555 1_555 ?
C1 H19 H10 69.09(2) 1_555 1_565 ?
C1 H19 H11 64.31(2) 1_555 1_555 ?
C1 H19 C9 58.89(8) 1_555 1_555 ?
C1 H19 H20 96.64(4) 1_555 1_555 ?
C1 H19 C10 69.52(5) 1_555 1_555 ?
C1 H19 H21 68.80(3) 1_555 1_555 ?
C1 H19 H22 73.09(3) 1_555 1_565 ?
C1 H19 C11 111.41(6) 1_555 1_555 ?
C1 H19 H23 127.36(4) 1_555 1_555 ?
C1 H19 H24 124.91(3) 1_555 1_555 ?
H2 H19 H3 51.8915(18) 1_555 1_555 ?
H2 H19 H4 58.2912(17) 1_555 1_555 ?
H2 H19 C5 72.16(3) 1_555 1_555 ?
H2 H19 H10 87.076(2) 1_555 1_565 ?
H2 H19 H11 84.089(2) 1_555 1_555 ?
H2 H19 C9 66.77(7) 1_555 1_555 ?
H2 H19 H20 102.877(4) 1_555 1_555 ?
H2 H19 C10 57.42(3) 1_555 1_555 ?
H2 H19 H21 50.4838(17) 1_555 1_555 ?
H2 H19 H22 63.2577(19) 1_555 1_565 ?
H2 H19 C11 96.23(4) 1_555 1_555 ?
H2 H19 H23 108.280(3) 1_555 1_555 ?
H2 H19 H24 114.043(4) 1_555 1_555 ?
C2 H19 C5 63.70(4) 1_555 1_555 ?
C2 H19 H10 83.07(3) 1_555 1_565 ?
C2 H19 H11 61.15(3) 1_555 1_555 ?
C2 H19 C9 89.60(10) 1_555 1_555 ?
C2 H19 H20 125.78(5) 1_555 1_555 ?
C2 H19 C10 97.37(6) 1_555 1_555 ?
C2 H19 H21 86.19(4) 1_555 1_555 ?
C2 H19 H22 103.00(4) 1_555 1_565 ?
C2 H19 C11 133.48(7) 1_555 1_555 ?
C2 H19 H23 133.80(5) 1_555 1_555 ?
C2 H19 H24 153.69(5) 1_555 1_555 ?
H3 H19 C5 85.31(3) 1_555 1_555 ?
H3 H19 H10 104.366(3) 1_555 1_565 ?
H3 H19 H11 77.6786(19) 1_555 1_555 ?
H3 H19 C9 111.77(8) 1_555 1_555 ?
H3 H19 H20 148.887(4) 1_555 1_555 ?
H3 H19 C10 104.38(5) 1_555 1_555 ?
H3 H19 H21 84.934(2) 1_555 1_555 ?
H3 H19 H22 112.052(4) 1_555 1_565 ?
H3 H19 C11 127.04(5) 1_555 1_555 ?
H3 H19 H23 116.415(3) 1_555 1_555 ?
H3 H19 H24 148.392(4) 1_555 1_555 ?
H4 H19 C5 55.22(3) 1_555 1_555 ?
H4 H19 H10 73.3785(20) 1_555 1_565 ?
H4 H19 H11 45.6550(15) 1_555 1_555 ?
H4 H19 C9 93.12(8) 1_555 1_555 ?
H4 H19 H20 122.908(4) 1_555 1_555 ?
H4 H19 C10 115.05(5) 1_555 1_555 ?
H4 H19 H21 106.083(3) 1_555 1_555 ?
H4 H19 H22 119.351(3) 1_555 1_565 ?
H4 H19 C11 153.39(5) 1_555 1_555 ?
H4 H19 H23 148.415(4) 1_555 1_555 ?
H4 H19 H24 171.041(4) 1_555 1_555 ?
C5 H19 C9 46.85(8) 1_555 1_555 ?
C5 H19 H20 67.82(4) 1_555 1_555 ?
C5 H19 C10 96.76(6) 1_555 1_555 ?
C5 H19 H21 112.41(4) 1_555 1_555 ?
C5 H19 H22 93.40(3) 1_555 1_565 ?
C5 H19 C11 128.55(7) 1_555 1_555 ?
C5 H19 H23 153.51(5) 1_555 1_555 ?
C5 H19 H24 119.59(4) 1_555 1_555 ?
H10 H19 H20 50.8484(19) 1_565 1_555 ?
H10 H19 C10 95.16(4) 1_565 1_555 ?
H10 H19 H21 116.939(3) 1_565 1_555 ?
H10 H19 H22 89.397(2) 1_565 1_565 ?
H10 H19 C11 116.11(5) 1_565 1_555 ?
H10 H19 H23 137.487(4) 1_565 1_555 ?
H10 H19 H24 102.614(3) 1_565 1_555 ?
H11 H19 C9 68.58(7) 1_555 1_555 ?
H11 H19 H20 82.184(2) 1_555 1_555 ?
H11 H19 C10 118.83(5) 1_555 1_555 ?
H11 H19 H21 131.281(3) 1_555 1_555 ?
H11 H19 H22 115.675(3) 1_555 1_565 ?
H11 H19 C11 148.02(6) 1_555 1_555 ?
H11 H19 H23 165.044(4) 1_555 1_555 ?
H11 H19 H24 132.643(3) 1_555 1_555 ?
C9 H19 C10 53.75(8) 1_555 1_555 ?
C9 H19 H21 76.74(7) 1_555 1_555 ?
C9 H19 H22 48.25(7) 1_555 1_565 ?
C9 H19 C11 82.12(10) 1_555 1_555 ?
C9 H19 H23 107.93(8) 1_555 1_555 ?
C9 H19 H24 78.96(7) 1_555 1_555 ?
H20 H19 C10 65.46(4) 1_555 1_555 ?
H20 H19 H21 90.921(3) 1_555 1_555 ?
H20 H19 H22 56.939(2) 1_555 1_565 ?
H20 H19 C11 66.51(5) 1_555 1_555 ?
H20 H19 H23 86.750(2) 1_555 1_555 ?
H20 H19 H24 51.9559(19) 1_555 1_555 ?
C10 H19 H23 64.50(4) 1_555 1_555 ?
C10 H19 H24 56.79(3) 1_555 1_555 ?
H21 H19 C11 47.32(3) 1_555 1_555 ?
H21 H19 H23 58.6140(17) 1_555 1_555 ?
H21 H19 H24 68.2239(20) 1_555 1_555 ?
H22 H19 H23 65.2621(19) 1_565 1_555 ?
H22 H19 H24 52.0306(16) 1_565 1_555 ?
N1 H20 H10 52.93(3) 1_555 1_565 ?
N1 H20 H11 46.90(3) 1_555 1_555 ?
N1 H20 H19 67.98(4) 1_555 1_555 ?
N1 H20 C10 67.75(5) 1_555 1_555 ?
N1 H20 H21 69.61(3) 1_555 1_555 ?
N1 H20 H22 76.70(4) 1_555 1_565 ?
N1 H20 C11 110.00(7) 1_555 1_555 ?
N1 H20 H23 113.74(4) 1_555 1_555 ?
N1 H20 H24 137.33(5) 1_555 1_555 ?
N1 H20 H24 150.87(4) 1_555 3_677 ?
N1 H20 C14 57.26(4) 1_555 1_565 ?
N1 H20 H31 79.11(4) 1_555 1_565 ?
C5 H20 C9 53.66(8) 1_555 1_555 ?
C5 H20 H19 75.81(4) 1_555 1_555 ?
C5 H20 C10 100.26(6) 1_555 1_555 ?
C5 H20 H21 100.40(4) 1_555 1_555 ?
C5 H20 H22 109.12(4) 1_555 1_565 ?
C5 H20 C11 139.41(8) 1_555 1_555 ?
C5 H20 H23 134.35(4) 1_555 1_555 ?
C5 H20 H24 167.20(5) 1_555 1_555 ?
C5 H20 H24 118.00(4) 1_555 3_677 ?
C5 H20 C13 52.34(4) 1_555 1_565 ?
C5 H20 C14 67.22(4) 1_555 1_565 ?
C5 H20 H31 88.77(4) 1_555 1_565 ?
H10 H20 C9 77.69(7) 1_565 1_555 ?
H10 H20 H19 97.372(3) 1_565 1_555 ?
H10 H20 C10 120.11(5) 1_565 1_555 ?
H10 H20 H21 122.499(3) 1_565 1_555 ?
H10 H20 H22 120.758(3) 1_565 1_565 ?
H10 H20 C11 162.81(6) 1_565 1_555 ?
H10 H20 H23 156.291(4) 1_565 1_555 ?
H10 H20 H24 168.599(4) 1_565 1_555 ?
H10 H20 H24 98.315(3) 1_565 3_677 ?
H10 H20 C13 61.53(3) 1_565 1_565 ?
H10 H20 C14 61.79(3) 1_565 1_565 ?
H10 H20 H31 78.638(2) 1_565 1_565 ?
H11 H20 C9 53.23(6) 1_555 1_555 ?
H11 H20 H19 62.194(2) 1_555 1_555 ?
H11 H20 C10 105.89(4) 1_555 1_555 ?
H11 H20 H21 102.259(3) 1_555 1_555 ?
H11 H20 H22 122.242(3) 1_555 1_565 ?
H11 H20 C11 133.20(6) 1_555 1_555 ?
H11 H20 H23 120.535(3) 1_555 1_555 ?
H11 H20 H24 151.848(4) 1_555 1_555 ?
H11 H20 H24 108.101(3) 1_555 3_677 ?
H11 H20 C13 71.45(3) 1_555 1_565 ?
H11 H20 C14 88.55(3) 1_555 1_565 ?
H11 H20 H31 109.744(4) 1_555 1_565 ?
C9 H20 C10 52.94(8) 1_555 1_555 ?
C9 H20 H21 49.18(6) 1_555 1_555 ?
C9 H20 H22 73.29(7) 1_555 1_565 ?
C9 H20 C11 85.81(10) 1_555 1_555 ?
C9 H20 H23 83.60(7) 1_555 1_555 ?
C9 H20 H24 113.71(7) 1_555 1_555 ?
C9 H20 H24 151.56(7) 1_555 3_677 ?
C9 H20 C13 54.27(8) 1_555 1_565 ?
C9 H20 C14 86.13(9) 1_555 1_565 ?
C9 H20 H31 105.11(8) 1_555 1_565 ?
H19 H20 C10 64.28(4) 1_555 1_555 ?
H19 H20 H21 54.9129(20) 1_555 1_555 ?
H19 H20 H22 89.136(3) 1_555 1_565 ?
H19 H20 C11 71.46(5) 1_555 1_555 ?
H19 H20 H23 59.124(2) 1_555 1_555 ?
H19 H20 H24 92.388(3) 1_555 1_555 ?
H19 H20 H24 117.962(4) 1_555 3_677 ?
H19 H20 C13 91.25(4) 1_555 1_565 ?
H19 H20 C14 123.15(5) 1_555 1_565 ?
H19 H20 H31 140.358(6) 1_555 1_565 ?
C10 H20 H23 55.31(3) 1_555 1_555 ?
C10 H20 H24 69.60(3) 1_555 1_555 ?
C10 H20 H24 141.36(4) 1_555 3_677 ?
C10 H20 C13 62.53(5) 1_555 1_565 ?
C10 H20 C14 81.27(6) 1_555 1_565 ?
C10 H20 H31 83.49(4) 1_555 1_565 ?
H21 H20 H23 48.5450(15) 1_555 1_555 ?
H21 H20 H24 68.191(2) 1_555 1_555 ?
H21 H20 H24 138.575(4) 1_555 3_677 ?
H21 H20 C13 69.27(3) 1_555 1_565 ?
H21 H20 C14 90.70(4) 1_555 1_565 ?
H21 H20 H31 93.762(3) 1_555 1_565 ?
H22 H20 C11 48.13(4) 1_565 1_555 ?
H22 H20 H23 66.0961(18) 1_565 1_555 ?
H22 H20 H24 65.0560(19) 1_565 1_555 ?
H22 H20 H24 129.620(4) 1_565 3_677 ?
H22 H20 C13 59.50(3) 1_565 1_565 ?
H22 H20 C14 65.71(3) 1_565 1_565 ?
H22 H20 H31 61.4348(19) 1_565 1_565 ?
C11 H20 H24 98.50(5) 1_555 3_677 ?
C11 H20 C13 104.72(6) 1_555 1_565 ?
C11 H20 C14 112.77(7) 1_555 1_565 ?
C11 H20 H31 101.39(5) 1_555 1_565 ?
H23 H20 H24 91.200(2) 1_555 3_677 ?
H23 H20 C13 117.66(4) 1_555 1_565 ?
H23 H20 C14 131.67(4) 1_555 1_565 ?
H23 H20 H31 120.758(3) 1_555 1_565 ?
H24 H20 H24 71.758(2) 1_555 3_677 ?
H24 H20 C13 124.35(5) 1_555 1_565 ?
H24 H20 C14 117.13(5) 1_555 1_565 ?
H24 H20 H31 97.535(3) 1_555 1_565 ?
H24 H20 C13 147.42(4) 3_677 1_565 ?
H24 H20 C14 117.15(4) 3_677 1_565 ?
H24 H20 H31 101.574(3) 3_677 1_565 ?
C13 H20 H31 51.86(3) 1_565 1_565 ?
N1 C10 H2 52.57(4) 1_555 1_555 ?
N1 C10 H19 61.26(5) 1_555 1_555 ?
N1 C10 H20 60.88(5) 1_555 1_555 ?
N1 C10 H21 119.15(9) 1_555 1_555 ?
N1 C10 H22 112.19(9) 1_555 1_565 ?
N1 C10 C11 136.97(9) 1_555 1_555 ?
N1 C10 H23 130.43(5) 1_555 1_555 ?
N1 C10 H24 121.51(5) 1_555 1_555 ?
N1 C10 C12 154.49(7) 1_555 1_555 ?
N1 C10 H26 170.06(5) 1_555 1_555 ?
N1 C10 H27 151.84(5) 1_555 1_565 ?
N1 C10 H29 54.10(4) 1_555 1_565 ?
N1 C10 C14 50.05(5) 1_555 1_565 ?
N1 C10 H31 66.51(4) 1_555 1_565 ?
C1 C10 C9 59.60(6) 1_555 1_555 ?
C1 C10 H19 69.07(4) 1_555 1_555 ?
C1 C10 H20 89.52(4) 1_555 1_555 ?
C1 C10 H21 88.38(7) 1_555 1_555 ?
C1 C10 H22 118.46(8) 1_555 1_565 ?
C1 C10 C11 150.15(8) 1_555 1_555 ?
C1 C10 H23 131.29(5) 1_555 1_555 ?
C1 C10 H24 147.30(5) 1_555 1_555 ?
C1 C10 C12 163.54(6) 1_555 1_555 ?
C1 C10 H26 148.10(4) 1_555 1_555 ?
C1 C10 H27 172.68(4) 1_555 1_565 ?
C1 C10 H29 56.00(4) 1_555 1_565 ?
C1 C10 C14 73.07(5) 1_555 1_565 ?
C1 C10 H31 92.51(4) 1_555 1_565 ?
H2 C10 C9 80.42(6) 1_555 1_555 ?
H2 C10 H19 82.71(3) 1_555 1_555 ?
H2 C10 H20 111.29(3) 1_555 1_555 ?
H2 C10 H21 68.11(5) 1_555 1_555 ?
H2 C10 H22 112.40(5) 1_555 1_565 ?
H2 C10 C11 149.27(6) 1_555 1_555 ?
H2 C10 H23 128.51(3) 1_555 1_555 ?
H2 C10 H24 162.78(3) 1_555 1_555 ?
H2 C10 C12 148.75(5) 1_555 1_555 ?
H2 C10 H26 128.52(2) 1_555 1_555 ?
H2 C10 H27 152.51(2) 1_555 1_565 ?
H2 C10 C13 57.28(4) 1_555 1_565 ?
H2 C10 H29 58.75(3) 1_555 1_565 ?
H2 C10 C14 87.18(4) 1_555 1_565 ?
H2 C10 H31 107.25(3) 1_555 1_565 ?
C9 C10 H21 128.82(10) 1_555 1_555 ?
C9 C10 H22 128.91(10) 1_555 1_565 ?
C9 C10 C11 100.33(10) 1_555 1_555 ?
C9 C10 H23 95.15(7) 1_555 1_555 ?
C9 C10 H24 88.12(6) 1_555 1_555 ?
C9 C10 C12 118.78(9) 1_555 1_555 ?
C9 C10 H26 134.46(7) 1_555 1_555 ?
C9 C10 H27 126.89(7) 1_555 1_565 ?
C9 C10 C13 64.87(7) 1_555 1_565 ?
C9 C10 H29 87.79(6) 1_555 1_565 ?
C9 C10 C14 66.13(7) 1_555 1_565 ?
C9 C10 H31 71.46(6) 1_555 1_565 ?
H19 C10 H20 50.25(4) 1_555 1_555 ?
H19 C10 H21 102.33(5) 1_555 1_555 ?
H19 C10 H22 156.01(6) 1_555 1_565 ?
H19 C10 C11 82.48(7) 1_555 1_555 ?
H19 C10 H23 69.61(3) 1_555 1_555 ?
H19 C10 H24 80.77(3) 1_555 1_555 ?
H19 C10 C12 100.97(5) 1_555 1_555 ?
H19 C10 H26 108.82(3) 1_555 1_555 ?
H19 C10 H27 118.17(3) 1_555 1_565 ?
H19 C10 C13 93.21(5) 1_555 1_565 ?
H19 C10 H29 115.36(3) 1_555 1_565 ?
H19 C10 C14 98.19(5) 1_555 1_565 ?
H19 C10 H31 101.10(3) 1_555 1_565 ?
H20 C10 H21 150.83(5) 1_555 1_555 ?
H20 C10 H22 105.84(6) 1_555 1_565 ?
H20 C10 C11 78.59(7) 1_555 1_555 ?
H20 C10 H23 83.36(3) 1_555 1_555 ?
H20 C10 H24 60.65(3) 1_555 1_555 ?
H20 C10 C12 93.83(5) 1_555 1_555 ?
H20 C10 H26 114.07(3) 1_555 1_555 ?
H20 C10 H27 96.14(3) 1_555 1_565 ?
H20 C10 C13 76.30(5) 1_555 1_565 ?
H20 C10 H29 95.64(3) 1_555 1_565 ?
H20 C10 C14 60.29(4) 1_555 1_565 ?
H20 C10 H31 53.95(3) 1_555 1_565 ?
H21 C10 H22 100.68(7) 1_555 1_565 ?
H21 C10 C11 89.05(8) 1_555 1_555 ?
H21 C10 H23 76.36(5) 1_555 1_555 ?
H21 C10 H24 110.83(5) 1_555 1_555 ?
H21 C10 C12 80.86(7) 1_555 1_555 ?
H21 C10 H26 60.43(5) 1_555 1_555 ?
H21 C10 H27 88.92(5) 1_555 1_565 ?
H21 C10 C13 120.38(9) 1_555 1_565 ?
H21 C10 H29 107.10(5) 1_555 1_565 ?
H21 C10 C14 145.18(9) 1_555 1_565 ?
H21 C10 H31 155.22(5) 1_555 1_565 ?
H22 C10 C11 91.22(9) 1_565 1_555 ?
H22 C10 H23 109.80(5) 1_565 1_555 ?
H22 C10 H24 84.81(5) 1_565 1_555 ?
H22 C10 C12 76.06(7) 1_565 1_555 ?
H22 C10 H26 77.06(5) 1_565 1_555 ?
H22 C10 H27 55.48(5) 1_565 1_565 ?
H22 C10 C13 80.88(8) 1_565 1_565 ?
H22 C10 H29 63.27(5) 1_565 1_565 ?
H22 C10 C14 65.51(7) 1_565 1_565 ?
H22 C10 H31 57.46(5) 1_565 1_565 ?
C11 C10 C13 150.40(9) 1_555 1_565 ?
C11 C10 H29 151.54(7) 1_555 1_565 ?
C11 C10 C14 121.54(9) 1_555 1_565 ?
C11 C10 H31 101.95(7) 1_555 1_565 ?
H23 C10 H27 54.35(3) 1_555 1_565 ?
H23 C10 C13 159.08(6) 1_555 1_565 ?
H23 C10 H29 172.51(3) 1_555 1_565 ?
H23 C10 C14 137.75(5) 1_555 1_565 ?
H23 C10 H31 119.87(3) 1_555 1_565 ?
H24 C10 H26 53.99(2) 1_555 1_555 ?
H24 C10 C13 128.47(6) 1_555 1_565 ?
H24 C10 H29 134.06(3) 1_555 1_565 ?
H24 C10 C14 99.95(5) 1_555 1_565 ?
H24 C10 H31 80.83(3) 1_555 1_565 ?
C12 C10 C13 151.38(7) 1_555 1_565 ?
C12 C10 H29 139.31(5) 1_555 1_565 ?
C12 C10 C14 122.37(6) 1_555 1_565 ?
C12 C10 H31 102.48(4) 1_555 1_565 ?
H26 C10 C13 157.49(5) 1_555 1_565 ?
H26 C10 H29 135.80(3) 1_555 1_565 ?
H26 C10 C14 136.66(5) 1_555 1_565 ?
H26 C10 H31 118.48(2) 1_555 1_565 ?
H27 C10 C13 132.20(5) 1_565 1_565 ?
H27 C10 H29 118.57(3) 1_565 1_565 ?
H27 C10 C14 105.75(4) 1_565 1_565 ?
H27 C10 H31 87.11(2) 1_565 1_565 ?
C13 C10 H31 49.98(4) 1_565 1_565 ?
H29 C10 H31 54.64(3) 1_565 1_565 ?
N1 H21 H2 45.78(2) 1_555 1_555 ?
N1 H21 H7 102.71(4) 1_555 2_556 ?
N1 H21 H19 46.34(2) 1_555 1_555 ?
N1 H21 H22 70.77(4) 1_555 1_565 ?
N1 H21 C11 93.53(6) 1_555 1_555 ?
N1 H21 H23 105.24(4) 1_555 1_555 ?
N1 H21 H24 87.51(3) 1_555 1_555 ?
N1 H21 C12 116.58(5) 1_555 1_555 ?
N1 H21 H26 140.60(4) 1_555 1_555 ?
C1 H21 H7 87.82(3) 1_555 2_556 ?
C1 H21 C9 51.92(4) 1_555 1_555 ?
C1 H21 H19 60.90(2) 1_555 1_555 ?
C1 H21 H20 69.85(2) 1_555 1_555 ?
C1 H21 C10 69.98(8) 1_555 1_555 ?
C1 H21 H22 91.49(4) 1_555 1_565 ?
C1 H21 C11 119.50(6) 1_555 1_555 ?
C1 H21 H23 124.03(4) 1_555 1_555 ?
C1 H21 H24 114.25(3) 1_555 1_555 ?
C1 H21 C12 143.71(5) 1_555 1_555 ?
C1 H21 H26 167.29(4) 1_555 1_555 ?
C1 H21 H29 49.35(2) 1_555 1_565 ?
H2 H21 H7 72.5671(19) 1_555 2_556 ?
H2 H21 C9 70.84(3) 1_555 1_555 ?
H2 H21 H19 77.760(2) 1_555 1_555 ?
H2 H21 H20 88.617(3) 1_555 1_555 ?
H2 H21 C10 86.91(6) 1_555 1_555 ?
H2 H21 H22 100.222(3) 1_555 1_565 ?
H2 H21 C11 138.43(5) 1_555 1_555 ?
H2 H21 H23 139.338(4) 1_555 1_555 ?
H2 H21 H24 133.070(4) 1_555 1_555 ?
H2 H21 C12 162.36(4) 1_555 1_555 ?
H2 H21 H26 173.610(5) 1_555 1_555 ?
H2 H21 H29 53.4194(19) 1_555 1_565 ?
H7 H21 C9 128.62(4) 2_556 1_555 ?
H7 H21 H19 148.076(4) 2_556 1_555 ?
H7 H21 H20 132.208(4) 2_556 1_555 ?
H7 H21 C10 114.19(7) 2_556 1_555 ?
H7 H21 H22 82.613(3) 2_556 1_565 ?
H7 H21 C11 137.11(5) 2_556 1_555 ?
H7 H21 H23 147.923(4) 2_556 1_555 ?
H7 H21 H24 134.736(4) 2_556 1_555 ?
H7 H21 C12 117.84(3) 2_556 1_555 ?
H7 H21 H26 103.154(3) 2_556 1_555 ?
H7 H21 H29 65.5812(17) 2_556 1_565 ?
C9 H21 H22 69.95(4) 1_555 1_565 ?
C9 H21 C11 67.58(6) 1_555 1_555 ?
C9 H21 H23 77.47(4) 1_555 1_555 ?
C9 H21 H24 62.61(3) 1_555 1_555 ?
C9 H21 C12 92.03(5) 1_555 1_555 ?
C9 H21 H26 115.40(4) 1_555 1_555 ?
C9 H21 H29 63.84(3) 1_555 1_565 ?
H19 H21 C10 51.78(6) 1_555 1_555 ?
H19 H21 H22 91.423(3) 1_555 1_565 ?
H19 H21 C11 64.48(4) 1_555 1_555 ?
H19 H21 H23 63.1787(18) 1_555 1_555 ?
H19 H21 H24 62.7096(18) 1_555 1_555 ?
H19 H21 C12 88.43(3) 1_555 1_555 ?
H19 H21 H26 107.330(3) 1_555 1_555 ?
H19 H21 H29 87.404(2) 1_555 1_565 ?
H20 H21 H22 57.455(2) 1_555 1_565 ?
H20 H21 C11 50.30(4) 1_555 1_555 ?
H20 H21 H23 65.6981(18) 1_555 1_555 ?
H20 H21 C12 73.86(3) 1_555 1_555 ?
H20 H21 H26 97.756(3) 1_555 1_555 ?
H20 H21 H29 67.9281(19) 1_555 1_565 ?
C10 H21 C11 56.59(7) 1_555 1_555 ?
C10 H21 H23 78.02(6) 1_555 1_555 ?
C10 H21 H24 49.30(6) 1_555 1_555 ?
C10 H21 C12 75.87(8) 1_555 1_555 ?
C10 H21 H26 99.27(7) 1_555 1_555 ?
C10 H21 H29 52.78(6) 1_555 1_565 ?
H22 H21 C11 65.62(4) 1_565 1_555 ?
H22 H21 H23 91.960(3) 1_565 1_555 ?
H22 H21 H24 59.092(2) 1_565 1_555 ?
H22 H21 C12 68.87(3) 1_565 1_555 ?
H22 H21 H26 83.701(2) 1_565 1_555 ?
H22 H21 H29 47.2247(19) 1_565 1_565 ?
C11 H21 H26 47.84(4) 1_555 1_555 ?
C11 H21 H29 105.96(4) 1_555 1_565 ?
H23 H21 H29 130.369(3) 1_555 1_565 ?
H24 H21 H26 53.3033(18) 1_555 1_555 ?
H24 H21 H29 98.405(3) 1_555 1_565 ?
C12 H21 H29 115.76(3) 1_555 1_565 ?
H26 H21 H29 129.643(3) 1_555 1_565 ?
N1 H22 H7 98.20(3) 1_545 2_546 ?
N1 H22 H20 47.08(2) 1_545 1_545 ?
N1 H22 C10 47.58(8) 1_545 1_545 ?
N1 H22 H21 76.50(4) 1_545 1_545 ?
N1 H22 C11 95.40(6) 1_545 1_545 ?
N1 H22 H23 94.21(3) 1_545 1_545 ?
N1 H22 H24 97.90(3) 1_545 1_545 ?
N1 H22 C12 122.71(5) 1_545 1_545 ?
N1 H22 H26 129.84(4) 1_545 1_545 ?
N1 H22 H27 142.50(4) 1_545 1_555 ?
N1 H22 H29 48.38(3) 1_545 1_555 ?
N1 H22 C14 49.49(4) 1_545 1_555 ?
N1 H22 H31 64.33(3) 1_545 1_555 ?
H2 H22 H7 59.1041(17) 1_545 2_546 ?
H2 H22 C9 58.13(3) 1_545 1_545 ?
H2 H22 H19 58.9257(18) 1_545 1_545 ?
H2 H22 H20 82.579(2) 1_545 1_545 ?
H2 H22 C10 48.87(6) 1_545 1_545 ?
H2 H22 H21 48.1653(20) 1_545 1_545 ?
H2 H22 C11 101.54(4) 1_545 1_545 ?
H2 H22 H23 94.521(3) 1_545 1_545 ?
H2 H22 H24 118.925(4) 1_545 1_545 ?
H2 H22 C12 121.17(3) 1_545 1_545 ?
H2 H22 H26 110.984(3) 1_545 1_545 ?
H2 H22 H27 143.736(4) 1_545 1_555 ?
H2 H22 C13 49.93(3) 1_545 1_555 ?
H2 H22 H29 51.7673(18) 1_545 1_555 ?
H2 H22 C14 82.08(3) 1_545 1_555 ?
H2 H22 H31 102.106(3) 1_545 1_555 ?
H7 H22 C9 116.72(4) 2_546 1_545 ?
H7 H22 H19 111.608(3) 2_546 1_545 ?
H7 H22 H20 141.446(4) 2_546 1_545 ?
H7 H22 C10 96.84(7) 2_546 1_545 ?
H7 H22 H21 64.015(2) 2_546 1_545 ?
H7 H22 C11 120.04(5) 2_546 1_545 ?
H7 H22 H23 111.287(3) 2_546 1_545 ?
H7 H22 H24 141.937(5) 2_546 1_545 ?
H7 H22 C12 111.35(3) 2_546 1_545 ?
H7 H22 H26 89.845(3) 2_546 1_545 ?
H7 H22 H27 111.267(4) 2_546 1_555 ?
H7 H22 C13 88.36(4) 2_546 1_555 ?
H7 H22 H29 71.041(2) 2_546 1_555 ?
H7 H22 C14 112.67(4) 2_546 1_555 ?
H7 H22 H31 131.358(4) 2_546 1_555 ?
C9 H22 H21 69.42(4) 1_545 1_545 ?
C9 H22 C11 66.88(6) 1_545 1_545 ?
C9 H22 H23 67.00(3) 1_545 1_545 ?
C9 H22 H24 69.57(3) 1_545 1_545 ?
C9 H22 C12 94.02(5) 1_545 1_545 ?
C9 H22 H26 104.89(4) 1_545 1_545 ?
C9 H22 H27 113.68(4) 1_545 1_555 ?
C9 H22 C13 56.67(4) 1_545 1_555 ?
C9 H22 H29 77.26(4) 1_545 1_555 ?
C9 H22 C14 65.57(5) 1_545 1_555 ?
C9 H22 H31 70.26(3) 1_545 1_555 ?
H19 H22 H21 54.395(2) 1_545 1_545 ?
H19 H22 C11 52.12(4) 1_545 1_545 ?
H19 H22 H23 50.3535(16) 1_545 1_545 ?
H19 H22 H24 61.3898(18) 1_545 1_545 ?
H19 H22 C12 79.29(3) 1_545 1_545 ?
H19 H22 H26 87.172(2) 1_545 1_545 ?
H19 H22 H27 101.801(3) 1_545 1_555 ?
H19 H22 C13 72.75(3) 1_545 1_555 ?
H19 H22 H29 91.610(3) 1_545 1_555 ?
H19 H22 C14 84.25(3) 1_545 1_555 ?
H19 H22 H31 87.258(3) 1_545 1_555 ?
H20 H22 C10 49.29(6) 1_545 1_545 ?
H20 H22 H21 88.127(3) 1_545 1_545 ?
H20 H22 C11 60.07(4) 1_545 1_545 ?
H20 H22 H23 64.3701(17) 1_545 1_545 ?
H20 H22 H24 52.7391(16) 1_545 1_545 ?
H20 H22 C12 83.59(3) 1_545 1_545 ?
H20 H22 H26 101.028(3) 1_545 1_545 ?
H20 H22 H27 96.772(3) 1_545 1_555 ?
H20 H22 C13 67.75(3) 1_545 1_555 ?
H20 H22 H29 89.357(2) 1_545 1_555 ?
H20 H22 C14 61.38(3) 1_545 1_555 ?
H20 H22 H31 56.3938(18) 1_545 1_555 ?
C10 H22 C11 54.89(8) 1_545 1_545 ?
C10 H22 H23 50.18(6) 1_545 1_545 ?
C10 H22 H24 70.06(6) 1_545 1_545 ?
C10 H22 C12 80.08(8) 1_545 1_545 ?
C10 H22 H26 82.38(7) 1_545 1_545 ?
C10 H22 H27 104.39(7) 1_545 1_555 ?
C10 H22 C13 75.61(9) 1_545 1_555 ?
C10 H22 H29 90.92(7) 1_545 1_555 ?
C10 H22 C14 94.12(10) 1_545 1_555 ?
C10 H22 H31 100.76(8) 1_545 1_555 ?
H21 H22 C11 63.21(4) 1_545 1_545 ?
H21 H22 H23 54.147(2) 1_545 1_545 ?
H21 H22 H24 86.765(3) 1_545 1_545 ?
H21 H22 C12 74.54(3) 1_545 1_545 ?
H21 H22 H26 62.980(2) 1_545 1_545 ?
H21 H22 H27 95.601(3) 1_545 1_555 ?
H21 H22 C13 96.35(5) 1_545 1_555 ?
H21 H22 H29 99.494(3) 1_545 1_555 ?
H21 H22 C14 125.67(5) 1_545 1_555 ?
H21 H22 H31 138.884(4) 1_545 1_555 ?
C11 H22 H27 50.09(4) 1_545 1_555 ?
C11 H22 C13 123.52(7) 1_545 1_555 ?
C11 H22 H29 143.67(5) 1_545 1_555 ?
C11 H22 C14 120.16(7) 1_545 1_555 ?
C11 H22 H31 107.09(5) 1_545 1_555 ?
H23 H22 H27 54.2375(18) 1_545 1_555 ?
H23 H22 C13 123.09(4) 1_545 1_555 ?
H23 H22 H29 140.997(4) 1_545 1_555 ?
H23 H22 C14 125.64(4) 1_545 1_555 ?
H23 H22 H31 114.838(3) 1_545 1_555 ?
H24 H22 H26 53.8361(16) 1_545 1_545 ?
H24 H22 C13 120.31(5) 1_545 1_555 ?
H24 H22 H29 141.564(4) 1_545 1_555 ?
H24 H22 C14 104.01(4) 1_545 1_555 ?
H24 H22 H31 86.669(2) 1_545 1_555 ?
C12 H22 C13 150.36(6) 1_545 1_555 ?
C12 H22 H29 170.86(5) 1_545 1_555 ?
C12 H22 C14 135.98(6) 1_545 1_555 ?
C12 H22 H31 116.17(4) 1_545 1_555 ?
H26 H22 C13 157.53(5) 1_545 1_555 ?
H26 H22 H29 158.910(4) 1_545 1_555 ?
H26 H22 C14 157.48(4) 1_545 1_555 ?
H26 H22 H31 137.110(3) 1_545 1_555 ?
H27 H22 C13 160.05(5) 1_555 1_555 ?
H27 H22 H29 163.887(5) 1_555 1_555 ?
H27 H22 C14 129.39(5) 1_555 1_555 ?
H27 H22 H31 107.585(3) 1_555 1_555 ?
C13 H22 H31 53.74(3) 1_555 1_555 ?
H29 H22 H31 63.7444(18) 1_555 1_555 ?
C9 C11 H21 65.79(5) 1_555 1_555 ?
C9 C11 H22 65.57(5) 1_555 1_565 ?
C9 C11 H23 111.38(9) 1_555 1_555 ?
C9 C11 H24 99.53(8) 1_555 1_555 ?
C9 C11 C12 170.31(12) 1_555 1_555 ?
C9 C11 H25 159.54(6) 1_555 1_555 ?
C9 C11 H26 153.02(7) 1_555 1_555 ?
C9 C11 H27 141.09(7) 1_555 1_565 ?
H19 C11 C10 55.12(6) 1_555 1_555 ?
H19 C11 H21 68.20(4) 1_555 1_555 ?
H19 C11 H22 86.88(4) 1_555 1_565 ?
H19 C11 H23 86.56(6) 1_555 1_555 ?
H19 C11 H24 105.08(5) 1_555 1_555 ?
H19 C11 C12 164.58(10) 1_555 1_555 ?
H19 C11 H25 144.17(4) 1_555 1_555 ?
H19 C11 H26 142.79(4) 1_555 1_555 ?
H19 C11 H27 165.93(4) 1_555 1_565 ?
H20 C11 C10 57.85(6) 1_555 1_555 ?
H20 C11 H21 89.32(4) 1_555 1_555 ?
H20 C11 H22 71.80(4) 1_555 1_565 ?
H20 C11 H23 117.29(6) 1_555 1_555 ?
H20 C11 H24 74.28(6) 1_555 1_555 ?
H20 C11 C12 148.14(10) 1_555 1_555 ?
H20 C11 H25 136.82(4) 1_555 1_555 ?
H20 C11 H26 170.67(5) 1_555 1_555 ?
H20 C11 H27 125.22(4) 1_555 1_565 ?
C10 C11 H23 127.95(10) 1_555 1_555 ?
C10 C11 H24 125.32(9) 1_555 1_555 ?
C10 C11 C12 136.48(12) 1_555 1_555 ?
C10 C11 H25 159.99(7) 1_555 1_555 ?
C10 C11 H26 116.38(7) 1_555 1_555 ?
C10 C11 H27 115.38(7) 1_555 1_565 ?
H21 C11 H22 51.17(4) 1_555 1_565 ?
H21 C11 H23 103.54(6) 1_555 1_555 ?
H21 C11 H24 159.20(5) 1_555 1_555 ?
H21 C11 C12 115.32(9) 1_555 1_555 ?
H21 C11 H25 133.78(4) 1_555 1_555 ?
H21 C11 H26 87.27(4) 1_555 1_555 ?
H21 C11 H27 110.43(4) 1_555 1_565 ?
H22 C11 H23 154.34(6) 1_565 1_555 ?
H22 C11 H24 110.21(5) 1_565 1_555 ?
H22 C11 C12 107.11(9) 1_565 1_555 ?
H22 C11 H25 128.78(4) 1_565 1_555 ?
H22 C11 H26 99.39(4) 1_565 1_555 ?
H22 C11 H27 82.05(4) 1_565 1_565 ?
H23 C11 H24 95.45(7) 1_555 1_555 ?
H23 C11 C12 78.01(10) 1_555 1_555 ?
H23 C11 H25 62.75(6) 1_555 1_555 ?
H23 C11 H26 71.98(6) 1_555 1_555 ?
H23 C11 H27 107.12(6) 1_555 1_565 ?
H24 C11 C12 76.62(10) 1_555 1_555 ?
H24 C11 H25 63.15(5) 1_555 1_555 ?
H24 C11 H26 106.88(6) 1_555 1_555 ?
H24 C11 H27 71.05(6) 1_555 1_565 ?
H25 C11 H26 46.78(4) 1_555 1_555 ?
H25 C11 H27 46.95(4) 1_555 1_565 ?
H26 C11 H27 48.65(5) 1_555 1_565 ?
C9 H23 H21 50.87(3) 1_555 1_555 ?
C9 H23 H22 47.23(2) 1_555 1_565 ?
C9 H23 C11 48.59(8) 1_555 1_555 ?
C9 H23 H24 67.52(3) 1_555 1_555 ?
C9 H23 C12 103.82(7) 1_555 1_555 ?
C9 H23 H25 130.51(4) 1_555 1_555 ?
C9 H23 H26 118.33(4) 1_555 1_555 ?
C9 H23 H27 96.96(3) 1_555 1_565 ?
H19 H23 C10 45.88(3) 1_555 1_555 ?
H19 H23 H21 58.2073(17) 1_555 1_555 ?
H19 H23 H22 64.3843(19) 1_555 1_565 ?
H19 H23 C11 67.52(8) 1_555 1_555 ?
H19 H23 H24 82.809(2) 1_555 1_555 ?
H19 H23 C12 122.78(6) 1_555 1_555 ?
H19 H23 H25 147.546(4) 1_555 1_555 ?
H19 H23 H26 132.344(3) 1_555 1_555 ?
H19 H23 H27 115.975(3) 1_555 1_565 ?
H20 H23 H21 65.7568(19) 1_555 1_555 ?
H20 H23 H22 49.5338(15) 1_555 1_565 ?
H20 H23 H24 48.7642(18) 1_555 1_555 ?
H20 H23 C12 94.13(6) 1_555 1_555 ?
H20 H23 H25 113.420(3) 1_555 1_555 ?
H20 H23 H26 118.793(3) 1_555 1_555 ?
H20 H23 H27 86.937(2) 1_555 1_565 ?
C10 H23 H24 69.17(3) 1_555 1_555 ?
C10 H23 C12 80.79(7) 1_555 1_555 ?
C10 H23 H25 115.01(4) 1_555 1_555 ?
C10 H23 H26 87.52(4) 1_555 1_555 ?
C10 H23 H27 75.24(3) 1_555 1_565 ?
H21 H23 C11 50.03(6) 1_555 1_555 ?
H21 H23 H24 91.794(3) 1_555 1_555 ?
H21 H23 C12 83.40(5) 1_555 1_555 ?
H21 H23 H25 118.181(4) 1_555 1_555 ?
H21 H23 H26 75.186(2) 1_555 1_555 ?
H21 H23 H27 80.388(2) 1_555 1_565 ?
H22 H23 H24 58.495(2) 1_565 1_555 ?
H22 H23 C12 60.79(5) 1_565 1_555 ?
H22 H23 H25 95.119(3) 1_565 1_555 ?
H22 H23 H26 71.6465(19) 1_565 1_555 ?
H22 H23 H27 55.2312(19) 1_565 1_565 ?
C11 H23 C12 55.26(9) 1_555 1_555 ?
C11 H23 H25 85.99(8) 1_555 1_555 ?
C11 H23 H26 75.64(8) 1_555 1_555 ?
C11 H23 H27 48.53(7) 1_555 1_565 ?
H24 H23 C12 55.61(5) 1_555 1_555 ?
H24 H23 H25 64.7874(18) 1_555 1_555 ?
H24 H23 H26 89.712(2) 1_555 1_555 ?
H24 H23 H27 49.5995(19) 1_555 1_565 ?
H25 H23 H26 50.3421(15) 1_555 1_555 ?
C9 H24 H20 125.05(3) 1_555 3_677 ?
C9 H24 H21 48.80(2) 1_555 1_555 ?
C9 H24 H22 52.83(3) 1_555 1_565 ?
C9 H24 C11 57.89(8) 1_555 1_555 ?
C9 H24 H23 80.18(4) 1_555 1_555 ?
C9 H24 C12 113.67(8) 1_555 1_555 ?
C9 H24 H25 142.12(5) 1_555 1_555 ?
C9 H24 H26 106.46(4) 1_555 1_555 ?
C9 H24 H27 121.29(4) 1_555 1_565 ?
H19 H24 H20 121.352(4) 1_555 3_677 ?
H19 H24 H21 49.0665(16) 1_555 1_555 ?
H19 H24 H22 66.5796(19) 1_555 1_565 ?
H19 H24 C11 52.91(7) 1_555 1_555 ?
H19 H24 H23 62.317(2) 1_555 1_555 ?
H19 H24 C12 107.72(6) 1_555 1_555 ?
H19 H24 H25 126.620(4) 1_555 1_555 ?
H19 H24 H26 99.693(3) 1_555 1_555 ?
H19 H24 H27 128.004(3) 1_555 1_565 ?
H20 H24 H20 108.242(4) 1_555 3_677 ?
H20 H24 C10 49.76(2) 1_555 1_555 ?
H20 H24 H21 67.356(2) 1_555 1_555 ?
H20 H24 H22 62.2049(18) 1_555 1_565 ?
H20 H24 C11 77.43(8) 1_555 1_555 ?
H20 H24 H23 97.881(3) 1_555 1_555 ?
H20 H24 C12 132.10(7) 1_555 1_555 ?
H20 H24 H25 161.701(4) 1_555 1_555 ?
H20 H24 H26 125.446(3) 1_555 1_555 ?
H20 H24 H27 130.112(3) 1_555 1_565 ?
H20 H24 C10 158.00(4) 3_677 1_555 ?
H20 H24 H21 168.960(5) 3_677 1_555 ?
H20 H24 H22 153.755(5) 3_677 1_565 ?
H20 H24 C11 160.10(8) 3_677 1_555 ?
H20 H24 H23 117.767(4) 3_677 1_555 ?
H20 H24 C12 119.48(6) 3_677 1_555 ?
H20 H24 H25 85.215(3) 3_677 1_555 ?
H20 H24 H26 125.323(4) 3_677 1_555 ?
H20 H24 H27 110.452(4) 3_677 1_565 ?
C10 H24 H23 71.38(4) 1_555 1_555 ?
C10 H24 C12 82.47(7) 1_555 1_555 ?
C10 H24 H25 116.22(4) 1_555 1_555 ?
C10 H24 H26 76.37(3) 1_555 1_555 ?
C10 H24 H27 88.44(4) 1_555 1_565 ?
H21 H24 H23 54.754(2) 1_555 1_555 ?
H21 H24 C12 64.96(5) 1_555 1_555 ?
H21 H24 H25 97.100(3) 1_555 1_555 ?
H21 H24 H26 58.0908(18) 1_555 1_555 ?
H21 H24 H27 78.946(2) 1_555 1_565 ?
H22 H24 C11 45.86(6) 1_565 1_555 ?
H22 H24 H23 88.332(3) 1_565 1_555 ?
H22 H24 C12 75.76(5) 1_565 1_555 ?
H22 H24 H25 110.585(3) 1_565 1_555 ?
H22 H24 H26 72.4904(19) 1_565 1_555 ?
H22 H24 H27 69.145(2) 1_565 1_565 ?
C11 H24 C12 56.33(9) 1_555 1_555 ?
C11 H24 H25 85.84(7) 1_555 1_555 ?
C11 H24 H26 48.75(7) 1_555 1_555 ?
C11 H24 H27 76.83(8) 1_555 1_565 ?
H23 H24 C12 57.17(5) 1_555 1_555 ?
H23 H24 H25 64.3329(18) 1_555 1_555 ?
H23 H24 H26 50.4641(17) 1_555 1_555 ?
H23 H24 H27 90.910(3) 1_555 1_565 ?
H25 H24 H27 50.7085(15) 1_555 1_565 ?
C10 C12 H23 65.45(5) 1_555 1_555 ?
C10 C12 H24 64.28(5) 1_555 1_555 ?
C10 C12 H25 154.08(8) 1_555 1_555 ?
C10 C12 H26 101.08(7) 1_555 1_555 ?
C10 C12 H27 101.09(8) 1_555 1_565 ?
H21 C12 H23 63.27(4) 1_555 1_555 ?
H21 C12 H24 85.56(4) 1_555 1_555 ?
H21 C12 H25 154.09(5) 1_555 1_555 ?
H21 C12 H26 78.42(5) 1_555 1_555 ?
H21 C12 H27 108.65(5) 1_555 1_565 ?
H22 C12 C11 45.58(8) 1_565 1_555 ?
H22 C12 H23 89.29(4) 1_565 1_555 ?
H22 C12 H24 71.28(4) 1_565 1_555 ?
H22 C12 H25 163.89(5) 1_565 1_555 ?
H22 C12 H26 100.18(5) 1_565 1_555 ?
H22 C12 H27 77.47(5) 1_565 1_565 ?
C11 C12 H23 46.72(8) 1_555 1_555 ?
C11 C12 H24 47.05(8) 1_555 1_555 ?
C11 C12 H25 129.57(12) 1_555 1_555 ?
C11 C12 H26 115.15(13) 1_555 1_555 ?
C11 C12 H27 117.19(12) 1_555 1_565 ?
H23 C12 H24 67.23(5) 1_555 1_555 ?
H23 C12 H25 92.98(6) 1_555 1_555 ?
H23 C12 H26 96.78(6) 1_555 1_555 ?
H23 C12 H27 163.11(6) 1_555 1_565 ?
H24 C12 H25 94.93(6) 1_555 1_555 ?
H24 C12 H26 161.39(6) 1_555 1_555 ?
H24 C12 H27 98.22(6) 1_555 1_565 ?
H25 C12 H26 95.39(6) 1_555 1_555 ?
H25 C12 H27 96.94(7) 1_555 1_565 ?
H26 C12 H27 95.86(7) 1_555 1_565 ?
C11 H25 H26 62.59(5) 1_555 1_555 ?
C11 H25 H27 62.84(4) 1_555 1_565 ?
H23 H25 H24 50.8797(16) 1_555 1_555 ?
H23 H25 C12 51.57(6) 1_555 1_555 ?
H23 H25 H26 67.0162(18) 1_555 1_555 ?
H23 H25 H27 92.364(3) 1_555 1_565 ?
H24 H25 C12 49.87(6) 1_555 1_555 ?
H24 H25 H26 91.562(3) 1_555 1_555 ?
H24 H25 H27 66.2472(18) 1_555 1_565 ?
H26 H25 H27 60.2142(20) 1_555 1_565 ?
C10 H26 H23 52.59(3) 1_555 1_555 ?
C10 H26 H24 49.64(2) 1_555 1_555 ?
C10 H26 C12 57.86(7) 1_555 1_555 ?
C10 H26 H25 97.70(4) 1_555 1_555 ?
C10 H26 H27 74.06(3) 1_555 1_565 ?
H21 H26 H23 60.0450(18) 1_555 1_555 ?
H21 H26 H24 68.606(2) 1_555 1_555 ?
H21 H26 C12 77.55(6) 1_555 1_555 ?
H21 H26 H25 115.310(4) 1_555 1_555 ?
H21 H26 H27 92.224(3) 1_555 1_565 ?
H22 H26 H23 70.0605(19) 1_565 1_555 ?
H22 H26 H24 53.6735(16) 1_565 1_555 ?
H22 H26 C12 58.32(6) 1_565 1_555 ?
H22 H26 H25 100.069(3) 1_565 1_555 ?
H22 H26 H27 59.532(2) 1_565 1_565 ?
C11 H26 H25 70.63(5) 1_555 1_555 ?
C11 H26 H27 65.99(5) 1_555 1_565 ?
H23 H26 C12 48.72(6) 1_555 1_555 ?
H23 H26 H25 62.6417(18) 1_555 1_555 ?
H23 H26 H27 89.894(3) 1_555 1_565 ?
H24 H26 H25 48.2945(18) 1_555 1_555 ?
H24 H26 H27 50.0740(17) 1_555 1_565 ?
H25 H26 H27 60.1614(20) 1_555 1_565 ?
C10 H27 H23 50.42(2) 1_545 1_545 ?
C10 H27 H24 51.79(2) 1_545 1_545 ?
C10 H27 C12 58.08(8) 1_545 1_545 ?
C10 H27 H25 97.78(4) 1_545 1_545 ?
C10 H27 H26 74.57(3) 1_545 1_545 ?
H22 H27 C11 47.86(4) 1_555 1_545 ?
H22 H27 H23 70.531(2) 1_555 1_545 ?
H22 H27 H24 66.1824(19) 1_555 1_545 ?
H22 H27 C12 77.97(7) 1_555 1_545 ?
H22 H27 H25 117.876(4) 1_555 1_545 ?
H22 H27 H26 87.198(2) 1_555 1_545 ?
C11 H27 H25 70.20(5) 1_545 1_545 ?
C11 H27 H26 65.37(5) 1_545 1_545 ?
H23 H27 H25 47.5859(18) 1_545 1_545 ?
H23 H27 H26 49.9895(19) 1_545 1_545 ?
H24 H27 C12 47.70(6) 1_545 1_545 ?
H24 H27 H25 63.0443(17) 1_545 1_545 ?
H24 H27 H26 89.476(2) 1_545 1_545 ?
H25 H27 H26 59.6243(19) 1_545 1_545 ?
N1 C13 H1 61.40(6) 1_545 1_545 ?
N1 C13 H2 60.18(6) 1_545 1_545 ?
N1 C13 H10 47.34(6) 1_545 1_555 ?
N1 C13 C6 55.50(8) 1_545 1_545 ?
N1 C13 H12 74.96(7) 1_545 1_555 ?
N1 C13 H20 47.19(6) 1_545 1_545 ?
N1 C13 C10 61.32(8) 1_545 1_545 ?
N1 C13 H22 84.18(7) 1_545 1_555 ?
N1 C13 H28 120.70(11) 1_545 1_555 ?
N1 C13 H29 126.99(11) 1_545 1_555 ?
N1 C13 C14 108.32(11) 1_545 1_555 ?
N1 C13 H30 102.57(7) 1_545 1_555 ?
N1 C13 H31 97.45(7) 1_545 1_555 ?
N1 C13 C15 143.20(10) 1_545 1_555 ?
N1 C13 H32 155.69(8) 1_545 1_555 ?
N1 C13 H33 148.45(8) 1_545 1_555 ?
C1 C13 C5 64.62(6) 1_545 1_545 ?
C1 C13 H10 86.49(5) 1_545 1_555 ?
C1 C13 C6 69.54(6) 1_545 1_545 ?
C1 C13 H12 86.49(5) 1_545 1_555 ?
C1 C13 C9 63.26(6) 1_545 1_545 ?
C1 C13 H20 83.72(5) 1_545 1_545 ?
C1 C13 C10 70.32(6) 1_545 1_545 ?
C1 C13 H22 90.48(5) 1_545 1_555 ?
C1 C13 H28 106.83(9) 1_545 1_555 ?
C1 C13 H29 100.96(9) 1_545 1_555 ?
C1 C13 C14 151.21(10) 1_545 1_555 ?
C1 C13 H30 143.63(6) 1_545 1_555 ?
C1 C13 H31 134.88(6) 1_545 1_555 ?
C1 C13 C15 168.78(8) 1_545 1_555 ?
C1 C13 H32 158.14(6) 1_545 1_555 ?
C1 C13 H33 148.01(6) 1_545 1_555 ?
H1 C13 C5 70.58(4) 1_545 1_545 ?
H1 C13 H10 92.60(3) 1_545 1_555 ?
H1 C13 C6 60.91(4) 1_545 1_545 ?
H1 C13 H12 72.07(3) 1_545 1_555 ?
H1 C13 C9 87.12(5) 1_545 1_545 ?
H1 C13 H20 106.93(3) 1_545 1_545 ?
H1 C13 C10 95.26(5) 1_545 1_545 ?
H1 C13 H22 113.20(3) 1_545 1_555 ?
H1 C13 H28 81.41(6) 1_545 1_555 ?
H1 C13 H29 104.44(6) 1_545 1_555 ?
H1 C13 C14 161.44(8) 1_545 1_555 ?
H1 C13 H30 140.51(3) 1_545 1_555 ?
H1 C13 H31 158.69(3) 1_545 1_555 ?
H1 C13 C15 154.44(5) 1_545 1_555 ?
H1 C13 H32 134.35(3) 1_545 1_555 ?
H1 C13 H33 144.86(3) 1_545 1_555 ?
H2 C13 C5 86.49(4) 1_545 1_545 ?
H2 C13 H10 106.97(3) 1_545 1_555 ?
H2 C13 C6 93.10(5) 1_545 1_545 ?
H2 C13 H12 108.95(3) 1_545 1_555 ?
H2 C13 C9 68.30(4) 1_545 1_545 ?
H2 C13 H20 87.67(3) 1_545 1_545 ?
H2 C13 C10 59.54(4) 1_545 1_545 ?
H2 C13 H22 74.23(3) 1_545 1_555 ?
H2 C13 H28 115.63(6) 1_545 1_555 ?
H2 C13 H29 77.32(6) 1_545 1_555 ?
H2 C13 C14 151.72(8) 1_545 1_555 ?
H2 C13 H30 161.73(3) 1_545 1_555 ?
H2 C13 H31 129.81(3) 1_545 1_555 ?
H2 C13 C15 145.02(5) 1_545 1_555 ?
H2 C13 H32 144.11(3) 1_545 1_555 ?
H2 C13 H33 124.25(3) 1_545 1_555 ?
C5 C13 H12 47.18(4) 1_545 1_555 ?
C5 C13 C9 52.17(5) 1_545 1_545 ?
C5 C13 H20 57.37(4) 1_545 1_545 ?
C5 C13 C10 87.54(6) 1_545 1_545 ?
C5 C13 H22 107.47(5) 1_545 1_555 ?
C5 C13 H28 96.23(9) 1_545 1_555 ?
C5 C13 H29 157.36(9) 1_545 1_555 ?
C5 C13 C14 92.83(8) 1_545 1_555 ?
C5 C13 H30 79.05(5) 1_545 1_555 ?
C5 C13 H31 92.63(5) 1_545 1_555 ?
C5 C13 C15 125.81(7) 1_545 1_555 ?
C5 C13 H32 127.82(5) 1_545 1_555 ?
C5 C13 H33 144.03(5) 1_545 1_555 ?
H10 C13 H12 48.99(3) 1_555 1_555 ?
H10 C13 C9 55.73(4) 1_555 1_545 ?
H10 C13 H20 51.11(3) 1_555 1_545 ?
H10 C13 C10 90.08(4) 1_555 1_545 ?
H10 C13 H22 103.66(3) 1_555 1_555 ?
H10 C13 H28 95.31(6) 1_555 1_555 ?
H10 C13 H29 155.11(6) 1_555 1_555 ?
H10 C13 C14 70.38(6) 1_555 1_555 ?
H10 C13 H30 57.20(3) 1_555 1_555 ?
H10 C13 H31 72.46(3) 1_555 1_555 ?
H10 C13 C15 103.57(4) 1_555 1_555 ?
H10 C13 H32 108.73(3) 1_555 1_555 ?
H10 C13 H33 121.57(3) 1_555 1_555 ?
C6 C13 C9 82.13(6) 1_545 1_545 ?
C6 C13 H20 87.39(4) 1_545 1_545 ?
C6 C13 C10 116.44(6) 1_545 1_545 ?
C6 C13 H22 137.81(5) 1_545 1_555 ?
C6 C13 H28 66.54(8) 1_545 1_555 ?
C6 C13 H29 163.24(9) 1_545 1_555 ?
C6 C13 C14 100.58(8) 1_545 1_555 ?
C6 C13 H30 80.09(4) 1_545 1_555 ?
C6 C13 H31 110.64(5) 1_545 1_555 ?
C6 C13 C15 121.40(6) 1_545 1_555 ?
C6 C13 H32 111.53(4) 1_545 1_555 ?
C6 C13 H33 141.54(5) 1_545 1_555 ?
H12 C13 C9 99.22(5) 1_555 1_545 ?
H12 C13 H20 99.85(3) 1_555 1_545 ?
H12 C13 C10 134.73(5) 1_555 1_545 ?
H12 C13 H22 152.59(3) 1_555 1_555 ?
H12 C13 H28 49.23(6) 1_555 1_555 ?
H12 C13 H29 154.01(6) 1_555 1_555 ?
H12 C13 C14 90.66(7) 1_555 1_555 ?
H12 C13 H30 68.80(3) 1_555 1_555 ?
H12 C13 H31 106.52(3) 1_555 1_555 ?
H12 C13 C15 103.81(5) 1_555 1_555 ?
H12 C13 H32 91.86(3) 1_555 1_555 ?
H12 C13 H33 122.80(3) 1_555 1_555 ?
C9 C13 H22 55.72(4) 1_545 1_555 ?
C9 C13 H28 148.40(9) 1_545 1_555 ?
C9 C13 H29 106.40(8) 1_545 1_555 ?
C9 C13 C14 89.06(8) 1_545 1_555 ?
C9 C13 H30 93.86(5) 1_545 1_555 ?
C9 C13 H31 71.97(5) 1_545 1_555 ?
C9 C13 C15 118.32(7) 1_545 1_555 ?
C9 C13 H32 138.30(5) 1_545 1_555 ?
C9 C13 H33 117.65(5) 1_545 1_555 ?
H20 C13 H22 52.75(3) 1_545 1_555 ?
H20 C13 H28 144.87(6) 1_545 1_555 ?
H20 C13 H29 105.67(6) 1_545 1_555 ?
H20 C13 C14 68.55(6) 1_545 1_555 ?
H20 C13 H30 75.17(3) 1_545 1_555 ?
H20 C13 H31 51.88(3) 1_545 1_555 ?
H20 C13 C15 98.64(4) 1_545 1_555 ?
H20 C13 H32 117.99(3) 1_545 1_555 ?
H20 C13 H33 101.60(3) 1_545 1_555 ?
C10 C13 H28 173.78(9) 1_545 1_555 ?
C10 C13 H29 70.67(8) 1_545 1_555 ?
C10 C13 C14 92.18(8) 1_545 1_555 ?
C10 C13 H30 108.30(5) 1_545 1_555 ?
C10 C13 H31 70.29(5) 1_545 1_555 ?
C10 C13 C15 104.26(6) 1_545 1_555 ?
C10 C13 H32 123.59(5) 1_545 1_555 ?
C10 C13 H33 92.85(4) 1_545 1_555 ?
H22 C13 H28 155.11(6) 1_555 1_555 ?
H22 C13 H29 53.07(6) 1_555 1_555 ?
H22 C13 C14 79.07(7) 1_555 1_555 ?
H22 C13 H30 99.42(3) 1_555 1_555 ?
H22 C13 H31 58.27(3) 1_555 1_555 ?
H22 C13 C15 82.40(4) 1_555 1_555 ?
H22 C13 H32 100.61(3) 1_555 1_555 ?
H22 C13 H33 69.42(3) 1_555 1_555 ?
H28 C13 H29 104.96(8) 1_555 1_555 ?
H28 C13 C14 92.57(10) 1_555 1_555 ?
H28 C13 H30 77.35(6) 1_555 1_555 ?
H28 C13 H31 114.34(6) 1_555 1_555 ?
H28 C13 C15 77.54(8) 1_555 1_555 ?
H28 C13 H32 57.43(6) 1_555 1_555 ?
H28 C13 H33 87.01(6) 1_555 1_555 ?
H29 C13 C14 94.06(10) 1_555 1_555 ?
H29 C13 H30 113.00(6) 1_555 1_555 ?
H29 C13 H31 85.92(6) 1_555 1_555 ?
H29 C13 C15 67.83(7) 1_555 1_555 ?
H29 C13 H32 71.96(6) 1_555 1_555 ?
H29 C13 H33 47.10(6) 1_555 1_555 ?
C14 C13 H32 50.49(6) 1_555 1_555 ?
C14 C13 H33 51.20(6) 1_555 1_555 ?
H30 C13 C15 46.87(4) 1_555 1_555 ?
H30 C13 H32 53.22(3) 1_555 1_555 ?
H30 C13 H33 66.70(3) 1_555 1_555 ?
H31 C13 C15 46.81(4) 1_555 1_555 ?
H31 C13 H32 66.34(3) 1_555 1_555 ?
H31 C13 H33 54.29(3) 1_555 1_555 ?
N1 H28 H1 54.21(3) 1_545 1_545 ?
N1 H28 C6 59.49(5) 1_545 1_545 ?
N1 H28 H12 79.75(4) 1_545 1_555 ?
N1 H28 H13 63.10(3) 1_545 1_545 ?
N1 H28 H16 147.89(5) 1_545 2_646 ?
N1 H28 H29 69.69(4) 1_545 1_555 ?
N1 H28 C14 72.88(6) 1_545 1_555 ?
N1 H28 H30 83.65(4) 1_545 1_555 ?
N1 H28 H31 67.55(3) 1_545 1_555 ?
N1 H28 C15 107.73(6) 1_545 1_555 ?
N1 H28 H32 132.30(5) 1_545 1_555 ?
N1 H28 H33 106.98(4) 1_545 1_555 ?
C1 H28 C5 54.19(4) 1_545 1_545 ?
C1 H28 H10 72.76(3) 1_545 1_555 ?
C1 H28 C6 68.24(4) 1_545 1_545 ?
C1 H28 H12 89.33(4) 1_545 1_555 ?
C1 H28 H13 58.14(3) 1_545 1_545 ?
C1 H28 H16 143.50(4) 1_545 2_646 ?
C1 H28 C13 50.40(8) 1_545 1_555 ?
C1 H28 H29 68.16(4) 1_545 1_555 ?
C1 H28 C14 102.38(7) 1_545 1_555 ?
C1 H28 H30 117.19(4) 1_545 1_555 ?
C1 H28 H31 95.50(3) 1_545 1_555 ?
C1 H28 C15 128.53(6) 1_545 1_555 ?
C1 H28 H32 149.61(5) 1_545 1_555 ?
C1 H28 H33 117.60(4) 1_545 1_555 ?
H1 H28 C5 64.45(3) 1_545 1_545 ?
H1 H28 H10 84.835(3) 1_545 1_555 ?
H1 H28 C6 64.18(3) 1_545 1_545 ?
H1 H28 H12 81.471(2) 1_545 1_555 ?
H1 H28 H13 46.8007(18) 1_545 1_545 ?
H1 H28 H16 120.659(4) 1_545 2_646 ?
H1 H28 C13 73.92(8) 1_545 1_555 ?
H1 H28 H29 84.775(3) 1_545 1_555 ?
H1 H28 C14 125.84(6) 1_545 1_555 ?
H1 H28 H30 136.118(4) 1_545 1_555 ?
H1 H28 H31 119.187(3) 1_545 1_555 ?
H1 H28 C15 149.40(4) 1_545 1_555 ?
H1 H28 H32 159.752(6) 1_545 1_555 ?
H1 H28 H33 133.783(4) 1_545 1_555 ?
H2 H28 C5 70.45(3) 1_545 1_545 ?
H2 H28 H10 87.251(2) 1_545 1_555 ?
H2 H28 C6 86.30(3) 1_545 1_545 ?
H2 H28 H12 107.169(3) 1_545 1_555 ?
H2 H28 H13 74.671(2) 1_545 1_545 ?
H2 H28 H16 148.835(4) 1_545 2_646 ?
H2 H28 C13 46.75(7) 1_545 1_555 ?
H2 H28 H29 53.206(2) 1_545 1_555 ?
H2 H28 C14 101.29(5) 1_545 1_555 ?
H2 H28 H30 122.678(3) 1_545 1_555 ?
H2 H28 H31 93.491(3) 1_545 1_555 ?
H2 H28 C15 117.40(4) 1_545 1_555 ?
H2 H28 H32 133.937(5) 1_545 1_555 ?
H2 H28 H33 102.994(4) 1_545 1_555 ?
C5 H28 H12 50.12(3) 1_545 1_555 ?
C5 H28 H16 117.44(4) 1_545 2_646 ?
C5 H28 C13 61.75(9) 1_545 1_555 ?
C5 H28 H29 98.88(4) 1_545 1_555 ?
C5 H28 C14 76.40(6) 1_545 1_555 ?
C5 H28 H30 72.94(3) 1_545 1_555 ?
C5 H28 H31 74.96(3) 1_545 1_555 ?
C5 H28 C15 114.27(5) 1_545 1_555 ?
C5 H28 H32 132.47(4) 1_545 1_555 ?
C5 H28 H33 123.34(4) 1_545 1_555 ?
H10 H28 H12 50.0692(16) 1_555 1_555 ?
H10 H28 H13 59.3094(18) 1_555 1_545 ?
H10 H28 H16 108.728(3) 1_555 2_646 ?
H10 H28 C13 64.82(7) 1_555 1_555 ?
H10 H28 H29 101.215(3) 1_555 1_555 ?
H10 H28 C14 60.49(4) 1_555 1_555 ?
H10 H28 H30 52.8315(18) 1_555 1_555 ?
H10 H28 H31 61.1460(17) 1_555 1_555 ?
H10 H28 C15 96.64(3) 1_555 1_555 ?
H10 H28 H32 112.406(4) 1_555 1_555 ?
H10 H28 H33 109.394(3) 1_555 1_555 ?
C6 H28 H16 89.10(3) 1_545 2_646 ?
C6 H28 C13 93.28(10) 1_545 1_555 ?
C6 H28 H29 129.11(5) 1_545 1_555 ?
C6 H28 C14 100.39(7) 1_545 1_555 ?
C6 H28 H30 85.42(4) 1_545 1_555 ?
C6 H28 H31 101.74(4) 1_545 1_555 ?
C6 H28 C15 132.46(6) 1_545 1_555 ?
C6 H28 H32 135.92(4) 1_545 1_555 ?
C6 H28 H33 148.91(4) 1_545 1_555 ?
H12 H28 H16 68.2670(19) 1_555 2_646 ?
H12 H28 C13 111.69(9) 1_555 1_555 ?
H12 H28 H29 149.001(4) 1_555 1_555 ?
H12 H28 C14 101.33(5) 1_555 1_555 ?
H12 H28 H30 79.2262(20) 1_555 1_555 ?
H12 H28 H31 105.530(3) 1_555 1_555 ?
H12 H28 C15 122.57(4) 1_555 1_555 ?
H12 H28 H32 117.469(3) 1_555 1_555 ?
H12 H28 H33 141.547(3) 1_555 1_555 ?
H13 H28 H16 90.387(3) 1_545 2_646 ?
H13 H28 C13 97.43(8) 1_545 1_555 ?
H13 H28 H29 126.014(3) 1_545 1_555 ?
H13 H28 C14 119.78(5) 1_545 1_555 ?
H13 H28 H30 106.775(3) 1_545 1_555 ?
H13 H28 H31 119.588(3) 1_545 1_555 ?
H13 H28 C15 153.81(4) 1_545 1_555 ?
H13 H28 H32 151.332(5) 1_545 1_555 ?
H13 H28 H33 168.292(4) 1_545 1_555 ?
H16 H28 C13 164.42(9) 2_646 1_555 ?
H16 H28 H29 141.659(4) 2_646 1_555 ?
H16 H28 C14 109.86(5) 2_646 1_555 ?
H16 H28 H30 87.551(3) 2_646 1_555 ?
H16 H28 H31 117.606(3) 2_646 1_555 ?
H16 H28 C15 87.93(4) 2_646 1_555 ?
H16 H28 H32 65.340(2) 2_646 1_555 ?
H16 H28 H33 96.747(3) 2_646 1_555 ?
C13 H28 C14 54.57(9) 1_555 1_555 ?
C13 H28 H30 77.31(8) 1_555 1_555 ?
C13 H28 H31 46.85(7) 1_555 1_555 ?
C13 H28 C15 79.10(9) 1_555 1_555 ?
C13 H28 H32 103.06(8) 1_555 1_555 ?
C13 H28 H33 73.53(7) 1_555 1_555 ?
H29 H28 C14 65.29(5) 1_555 1_555 ?
H29 H28 H30 92.050(3) 1_555 1_555 ?
H29 H28 H31 58.311(2) 1_555 1_555 ?
H29 H28 C15 64.90(4) 1_555 1_555 ?
H29 H28 H32 81.552(3) 1_555 1_555 ?
H29 H28 H33 49.872(2) 1_555 1_555 ?
C14 H28 H32 60.55(4) 1_555 1_555 ?
C14 H28 H33 48.93(4) 1_555 1_555 ?
H30 H28 C15 47.05(3) 1_555 1_555 ?
H30 H28 H32 59.5890(20) 1_555 1_555 ?
H30 H28 H33 64.4618(18) 1_555 1_555 ?
H31 H28 H32 65.012(2) 1_555 1_555 ?
H31 H28 H33 48.7606(16) 1_555 1_555 ?
N1 H29 H1 47.74(3) 1_545 1_545 ?
N1 H29 H2 54.86(3) 1_545 1_545 ?
N1 H29 H5 160.40(5) 1_545 2_546 ?
N1 H29 H7 113.91(4) 1_545 2_546 ?
N1 H29 C10 58.88(4) 1_545 1_545 ?
N1 H29 H21 68.55(4) 1_545 1_545 ?
N1 H29 H22 82.25(4) 1_545 1_555 ?
N1 H29 H28 65.92(4) 1_545 1_555 ?
N1 H29 C14 71.20(6) 1_545 1_555 ?
N1 H29 H30 70.28(4) 1_545 1_555 ?
N1 H29 H31 75.83(4) 1_545 1_555 ?
N1 H29 C15 112.10(6) 1_545 1_555 ?
N1 H29 H32 117.55(5) 1_545 1_555 ?
N1 H29 H33 135.28(5) 1_545 1_555 ?
C1 H29 H5 126.53(4) 1_545 2_546 ?
C1 H29 H7 88.50(3) 1_545 2_546 ?
C1 H29 C9 51.81(3) 1_545 1_545 ?
C1 H29 C10 67.15(4) 1_545 1_545 ?
C1 H29 H21 63.78(3) 1_545 1_545 ?
C1 H29 H22 92.57(4) 1_545 1_555 ?
C1 H29 C13 54.88(8) 1_545 1_555 ?
C1 H29 H28 73.88(4) 1_545 1_555 ?
C1 H29 C14 104.92(7) 1_545 1_555 ?
C1 H29 H30 101.96(4) 1_545 1_555 ?
C1 H29 H31 110.03(4) 1_545 1_555 ?
C1 H29 C15 143.33(7) 1_545 1_555 ?
C1 H29 H32 137.89(5) 1_545 1_555 ?
C1 H29 H33 169.27(5) 1_545 1_555 ?
H1 H29 H5 117.554(3) 1_545 2_546 ?
H1 H29 H7 93.903(2) 1_545 2_546 ?
H1 H29 C9 70.91(3) 1_545 1_545 ?
H1 H29 C10 88.39(3) 1_545 1_545 ?
H1 H29 H21 83.128(2) 1_545 1_545 ?
H1 H29 H22 113.590(3) 1_545 1_555 ?
H1 H29 C13 54.85(7) 1_545 1_555 ?
H1 H29 H28 59.900(2) 1_545 1_555 ?
H1 H29 C14 108.48(5) 1_545 1_555 ?
H1 H29 H30 101.990(3) 1_545 1_555 ?
H1 H29 H31 121.712(3) 1_545 1_555 ?
H1 H29 C15 136.12(4) 1_545 1_555 ?
H1 H29 H32 122.170(5) 1_545 1_555 ?
H1 H29 H33 156.720(5) 1_545 1_555 ?
H2 H29 H5 105.546(4) 1_545 2_546 ?
H2 H29 H7 64.5435(19) 1_545 2_546 ?
H2 H29 C9 61.30(2) 1_545 1_545 ?
H2 H29 C10 61.71(3) 1_545 1_545 ?
H2 H29 H21 50.2225(18) 1_545 1_545 ?
H2 H29 H22 83.205(2) 1_545 1_555 ?
H2 H29 C13 78.73(7) 1_545 1_555 ?
H2 H29 H28 94.805(3) 1_545 1_555 ?
H2 H29 C14 125.89(5) 1_545 1_555 ?
H2 H29 H30 124.799(3) 1_545 1_555 ?
H2 H29 H31 123.513(3) 1_545 1_555 ?
H2 H29 C15 166.83(5) 1_545 1_555 ?
H2 H29 H32 157.110(6) 1_545 1_555 ?
H2 H29 H33 165.991(6) 1_545 1_555 ?
H5 H29 H7 48.8854(16) 2_546 2_546 ?
H5 H29 C9 146.61(4) 2_546 1_545 ?
H5 H29 C10 114.02(4) 2_546 1_545 ?
H5 H29 H21 99.287(3) 2_546 1_545 ?
H5 H29 H22 95.814(3) 2_546 1_555 ?
H5 H29 C13 158.90(9) 2_546 1_555 ?
H5 H29 H28 121.500(3) 2_546 1_555 ?
H5 H29 C14 128.27(5) 2_546 1_555 ?
H5 H29 H30 129.228(4) 2_546 1_555 ?
H5 H29 H31 120.696(4) 2_546 1_555 ?
H5 H29 C15 87.50(4) 2_546 1_555 ?
H5 H29 H32 80.578(2) 2_546 1_555 ?
H5 H29 H33 63.851(2) 2_546 1_555 ?
H7 H29 C9 100.48(3) 2_546 1_545 ?
H7 H29 C10 71.62(3) 2_546 1_545 ?
H7 H29 H21 52.9874(15) 2_546 1_545 ?
H7 H29 H22 66.204(2) 2_546 1_555 ?
H7 H29 C13 142.80(9) 2_546 1_555 ?
H7 H29 H28 146.080(4) 2_546 1_555 ?
H7 H29 C14 149.81(5) 2_546 1_555 ?
H7 H29 H30 160.075(4) 2_546 1_555 ?
H7 H29 H31 125.985(4) 2_546 1_555 ?
H7 H29 C15 127.77(4) 2_546 1_555 ?
H7 H29 H32 128.497(3) 2_546 1_555 ?
H7 H29 H33 101.722(3) 2_546 1_555 ?
C9 H29 H21 47.96(2) 1_545 1_545 ?
C9 H29 H22 54.08(3) 1_545 1_555 ?
C9 H29 C13 53.65(8) 1_545 1_555 ?
C9 H29 H28 91.18(4) 1_545 1_555 ?
C9 H29 C14 69.58(5) 1_545 1_555 ?
C9 H29 H30 73.98(3) 1_545 1_555 ?
C9 H29 H31 62.24(3) 1_545 1_555 ?
C9 H29 C15 108.51(5) 1_545 1_555 ?
C9 H29 H32 124.18(4) 1_545 1_555 ?
C9 H29 H33 121.99(4) 1_545 1_555 ?
C10 H29 C13 86.40(10) 1_545 1_555 ?
C10 H29 H28 123.87(5) 1_545 1_555 ?
C10 H29 C14 88.58(6) 1_545 1_555 ?
C10 H29 H30 96.65(4) 1_545 1_555 ?
C10 H29 H31 70.50(3) 1_545 1_555 ?
C10 H29 C15 114.97(6) 1_545 1_555 ?
C10 H29 H32 136.62(4) 1_545 1_555 ?
C10 H29 H33 112.78(4) 1_545 1_555 ?
H21 H29 C13 99.07(8) 1_545 1_555 ?
H21 H29 H28 133.627(3) 1_545 1_555 ?
H21 H29 C14 108.68(5) 1_545 1_555 ?
H21 H29 H30 116.719(3) 1_545 1_555 ?
H21 H29 H31 89.625(2) 1_545 1_555 ?
H21 H29 C15 130.51(4) 1_545 1_555 ?
H21 H29 H32 151.857(4) 1_545 1_555 ?
H21 H29 H33 120.078(4) 1_545 1_555 ?
H22 H29 C13 105.24(9) 1_555 1_555 ?
H22 H29 H28 141.401(4) 1_555 1_555 ?
H22 H29 C14 85.97(5) 1_555 1_555 ?
H22 H29 H30 96.114(2) 1_555 1_555 ?
H22 H29 H31 62.8097(18) 1_555 1_555 ?
H22 H29 C15 97.47(4) 1_555 1_555 ?
H22 H29 H32 118.578(3) 1_555 1_555 ?
H22 H29 H33 88.667(3) 1_555 1_555 ?
C13 H29 C14 53.64(8) 1_555 1_555 ?
C13 H29 H30 48.04(7) 1_555 1_555 ?
C13 H29 H31 69.70(7) 1_555 1_555 ?
C13 H29 C15 88.45(9) 1_555 1_555 ?
C13 H29 H32 88.07(7) 1_555 1_555 ?
C13 H29 H33 114.55(8) 1_555 1_555 ?
H28 H29 C14 64.06(5) 1_555 1_555 ?
H28 H29 H30 53.8449(18) 1_555 1_555 ?
H28 H29 H31 87.645(3) 1_555 1_555 ?
H28 H29 C15 76.41(4) 1_555 1_555 ?
H28 H29 H32 64.077(3) 1_555 1_555 ?
H28 H29 H33 98.649(3) 1_555 1_555 ?
C14 H29 H32 54.66(4) 1_555 1_555 ?
C14 H29 H33 64.52(4) 1_555 1_555 ?
H30 H29 H32 50.6810(17) 1_555 1_555 ?
H30 H29 H33 67.311(2) 1_555 1_555 ?
H31 H29 C15 47.41(3) 1_555 1_555 ?
H31 H29 H32 67.259(2) 1_555 1_555 ?
H31 H29 H33 61.273(2) 1_555 1_555 ?
N1 C14 H10 47.89(4) 1_545 1_555 ?
N1 C14 H20 49.91(4) 1_545 1_545 ?
N1 C14 C10 47.62(5) 1_545 1_545 ?
N1 C14 H22 66.77(4) 1_545 1_555 ?
N1 C14 H28 58.03(5) 1_545 1_555 ?
N1 C14 H29 59.67(5) 1_545 1_555 ?
N1 C14 H30 113.00(9) 1_545 1_555 ?
N1 C14 H31 105.72(9) 1_545 1_555 ?
N1 C14 C15 143.32(9) 1_545 1_555 ?
N1 C14 H32 131.63(6) 1_545 1_555 ?
N1 C14 H33 126.92(6) 1_545 1_555 ?
N1 C14 C16 169.55(7) 1_545 1_555 ?
N1 C14 H35 168.98(5) 1_545 1_555 ?
N1 C14 H36 159.20(5) 1_545 1_555 ?
C5 C14 H20 53.96(4) 1_545 1_545 ?
C5 C14 C10 70.73(5) 1_545 1_545 ?
C5 C14 H22 91.08(4) 1_545 1_555 ?
C5 C14 C13 55.42(7) 1_545 1_555 ?
C5 C14 H28 64.72(5) 1_545 1_555 ?
C5 C14 H29 85.95(5) 1_545 1_555 ?
C5 C14 H30 84.80(8) 1_545 1_555 ?
C5 C14 H31 109.14(9) 1_545 1_555 ?
C5 C14 C15 157.33(9) 1_545 1_555 ?
C5 C14 H32 134.60(5) 1_545 1_555 ?
C5 C14 H33 153.09(5) 1_545 1_555 ?
C5 C14 C16 161.47(6) 1_545 1_555 ?
C5 C14 H35 141.01(5) 1_545 1_555 ?
C5 C14 H36 156.75(5) 1_545 1_555 ?
H10 C14 C9 52.20(4) 1_555 1_545 ?
H10 C14 H20 53.60(3) 1_555 1_545 ?
H10 C14 C10 82.23(4) 1_555 1_545 ?
H10 C14 H22 101.92(3) 1_555 1_555 ?
H10 C14 C13 76.37(6) 1_555 1_555 ?
H10 C14 H28 81.11(4) 1_555 1_555 ?
H10 C14 H29 106.80(3) 1_555 1_555 ?
H10 C14 H30 67.76(6) 1_555 1_555 ?
H10 C14 H31 99.15(6) 1_555 1_555 ?
H10 C14 C15 158.82(7) 1_555 1_555 ?
H10 C14 H32 137.98(3) 1_555 1_555 ?
H10 C14 H33 173.93(3) 1_555 1_555 ?
H10 C14 C16 142.55(5) 1_555 1_555 ?
H10 C14 H35 122.52(3) 1_555 1_555 ?
H10 C14 H36 136.43(3) 1_555 1_555 ?
C9 C14 H22 49.86(4) 1_545 1_555 ?
C9 C14 C13 58.10(7) 1_545 1_555 ?
C9 C14 H28 87.05(5) 1_545 1_555 ?
C9 C14 H29 71.40(5) 1_545 1_555 ?
C9 C14 H30 117.48(9) 1_545 1_555 ?
C9 C14 H31 76.04(8) 1_545 1_555 ?
C9 C14 C15 148.49(9) 1_545 1_555 ?
C9 C14 H32 154.83(5) 1_545 1_555 ?
C9 C14 H33 125.64(5) 1_545 1_555 ?
C9 C14 C16 149.93(6) 1_545 1_555 ?
C9 C14 H35 153.58(5) 1_545 1_555 ?
C9 C14 H36 130.88(5) 1_545 1_555 ?
H20 C14 H22 52.91(3) 1_545 1_555 ?
H20 C14 C13 79.55(7) 1_545 1_555 ?
H20 C14 H28 107.92(4) 1_545 1_555 ?
H20 C14 H29 89.13(3) 1_545 1_555 ?
H20 C14 H30 107.32(6) 1_545 1_555 ?
H20 C14 H31 57.47(6) 1_545 1_555 ?
H20 C14 C15 146.25(7) 1_545 1_555 ?
H20 C14 H32 167.88(3) 1_545 1_555 ?
H20 C14 H33 127.03(3) 1_545 1_555 ?
H20 C14 C16 132.73(5) 1_545 1_555 ?
H20 C14 H35 132.12(3) 1_545 1_555 ?
H20 C14 H36 112.89(3) 1_545 1_555 ?
C10 C14 C13 57.92(7) 1_545 1_555 ?
C10 C14 H28 90.71(5) 1_545 1_555 ?
C10 C14 H29 53.27(4) 1_545 1_555 ?
C10 C14 H30 145.53(8) 1_545 1_555 ?
C10 C14 H31 67.40(8) 1_545 1_555 ?
C10 C14 C15 118.49(8) 1_545 1_555 ?
C10 C14 H32 131.05(5) 1_545 1_555 ?
C10 C14 H33 95.66(5) 1_545 1_555 ?
C10 C14 C16 126.17(6) 1_545 1_555 ?
C10 C14 H35 142.35(4) 1_545 1_555 ?
C10 C14 H36 112.03(4) 1_545 1_555 ?
H22 C14 C13 68.46(6) 1_555 1_555 ?
H22 C14 H28 98.85(4) 1_555 1_555 ?
H22 C14 H29 51.53(3) 1_555 1_555 ?
H22 C14 H30 156.09(6) 1_555 1_555 ?
H22 C14 H31 59.14(6) 1_555 1_555 ?
H22 C14 C15 99.15(7) 1_555 1_555 ?
H22 C14 H32 115.25(3) 1_555 1_555 ?
H22 C14 H33 76.62(3) 1_555 1_555 ?
H22 C14 C16 106.14(4) 1_555 1_555 ?
H22 C14 H35 123.86(3) 1_555 1_555 ?
H22 C14 H36 93.79(3) 1_555 1_555 ?
C13 C14 H30 125.80(10) 1_555 1_555 ?
C13 C14 H31 125.28(11) 1_555 1_555 ?
C13 C14 C15 109.85(10) 1_555 1_555 ?
C13 C14 H32 98.92(7) 1_555 1_555 ?
C13 C14 H33 97.67(7) 1_555 1_555 ?
C13 C14 C16 137.29(9) 1_555 1_555 ?
C13 C14 H35 148.11(7) 1_555 1_555 ?
C13 C14 H36 146.63(7) 1_555 1_555 ?
H28 C14 H29 50.65(4) 1_555 1_555 ?
H28 C14 H30 100.59(6) 1_555 1_555 ?
H28 C14 H31 157.73(6) 1_555 1_555 ?
H28 C14 C15 93.58(7) 1_555 1_555 ?
H28 C14 H32 74.69(4) 1_555 1_555 ?
H28 C14 H33 93.24(4) 1_555 1_555 ?
H28 C14 C16 117.73(6) 1_555 1_555 ?
H28 C14 H35 118.85(4) 1_555 1_555 ?
H28 C14 H36 136.43(4) 1_555 1_555 ?
H29 C14 H30 150.80(6) 1_555 1_555 ?
H29 C14 H31 109.14(6) 1_555 1_555 ?
H29 C14 C15 84.74(7) 1_555 1_555 ?
H29 C14 H32 83.56(4) 1_555 1_555 ?
H29 C14 H33 67.60(4) 1_555 1_555 ?
H29 C14 C16 109.99(5) 1_555 1_555 ?
H29 C14 H35 128.01(3) 1_555 1_555 ?
H29 C14 H36 114.66(3) 1_555 1_555 ?
H30 C14 H31 100.06(8) 1_555 1_555 ?
H30 C14 C15 93.40(9) 1_555 1_555 ?
H30 C14 H32 83.42(6) 1_555 1_555 ?
H30 C14 H33 115.83(6) 1_555 1_555 ?
H30 C14 C16 76.69(7) 1_555 1_555 ?
H30 C14 H35 56.22(5) 1_555 1_555 ?
H30 C14 H36 81.58(5) 1_555 1_555 ?
H31 C14 C15 93.45(10) 1_555 1_555 ?
H31 C14 H32 116.05(6) 1_555 1_555 ?
H31 C14 H33 85.21(6) 1_555 1_555 ?
H31 C14 C16 75.32(8) 1_555 1_555 ?
H31 C14 H35 79.98(6) 1_555 1_555 ?
H31 C14 H36 55.49(6) 1_555 1_555 ?
H32 C14 H35 49.43(3) 1_555 1_555 ?
H32 C14 H36 62.24(3) 1_555 1_555 ?
H33 C14 H35 62.24(3) 1_555 1_555 ?
H33 C14 H36 49.63(3) 1_555 1_555 ?
N1 H30 H12 57.74(3) 1_545 1_555 ?
N1 H30 H28 45.04(2) 1_545 1_555 ?
N1 H30 C14 47.58(8) 1_545 1_555 ?
N1 H30 H31 69.94(4) 1_545 1_555 ?
N1 H30 C15 97.26(6) 1_545 1_555 ?
N1 H30 H32 104.51(4) 1_545 1_555 ?
N1 H30 H33 90.54(3) 1_545 1_555 ?
N1 H30 C16 128.34(5) 1_545 1_555 ?
N1 H30 H35 151.78(4) 1_545 1_555 ?
C5 H30 C13 51.53(4) 1_545 1_555 ?
C5 H30 H28 59.36(3) 1_545 1_555 ?
C5 H30 H29 69.55(3) 1_545 1_555 ?
C5 H30 C14 74.45(9) 1_545 1_555 ?
C5 H30 H31 89.38(4) 1_545 1_555 ?
C5 H30 C15 123.43(6) 1_545 1_555 ?
C5 H30 H32 124.55(4) 1_545 1_555 ?
C5 H30 H33 117.30(4) 1_545 1_555 ?
C5 H30 C16 155.34(6) 1_545 1_555 ?
C5 H30 H35 178.53(4) 1_545 1_555 ?
H10 H30 H12 49.6698(18) 1_555 1_555 ?
H10 H30 C13 69.48(3) 1_555 1_555 ?
H10 H30 H28 77.661(2) 1_555 1_555 ?
H10 H30 H29 86.674(2) 1_555 1_555 ?
H10 H30 C14 88.27(7) 1_555 1_555 ?
H10 H30 H31 92.399(3) 1_555 1_555 ?
H10 H30 C15 140.35(5) 1_555 1_555 ?
H10 H30 H32 142.876(4) 1_555 1_555 ?
H10 H30 H33 133.072(4) 1_555 1_555 ?
H10 H30 C16 163.88(4) 1_555 1_555 ?
H10 H30 H35 161.683(6) 1_555 1_555 ?
H12 H30 C13 64.72(3) 1_555 1_555 ?
H12 H30 H28 50.9417(15) 1_555 1_555 ?
H12 H30 H29 81.689(2) 1_555 1_555 ?
H12 H30 C14 96.95(8) 1_555 1_555 ?
H12 H30 H31 127.671(4) 1_555 1_555 ?
H12 H30 C15 118.82(5) 1_555 1_555 ?
H12 H30 H32 101.467(3) 1_555 1_555 ?
H12 H30 H33 119.643(3) 1_555 1_555 ?
H12 H30 C16 143.30(4) 1_555 1_555 ?
H12 H30 H35 138.861(4) 1_555 1_555 ?
C13 H30 H31 68.86(4) 1_555 1_555 ?
C13 H30 C15 72.00(5) 1_555 1_555 ?
C13 H30 H32 77.13(3) 1_555 1_555 ?
C13 H30 H33 66.66(3) 1_555 1_555 ?
C13 H30 C16 105.51(5) 1_555 1_555 ?
C13 H30 H35 127.66(4) 1_555 1_555 ?
H28 H30 C14 52.54(7) 1_555 1_555 ?
H28 H30 H31 91.877(3) 1_555 1_555 ?
H28 H30 C15 71.52(4) 1_555 1_555 ?
H28 H30 H32 65.244(2) 1_555 1_555 ?
H28 H30 H33 69.9395(19) 1_555 1_555 ?
H28 H30 C16 104.50(4) 1_555 1_555 ?
H28 H30 H35 120.546(4) 1_555 1_555 ?
H29 H30 H31 58.4048(20) 1_555 1_555 ?
H29 H30 C15 53.94(3) 1_555 1_555 ?
H29 H30 H32 63.6260(20) 1_555 1_555 ?
H29 H30 H33 47.9733(16) 1_555 1_555 ?
H29 H30 C16 86.81(3) 1_555 1_555 ?
H29 H30 H35 109.505(3) 1_555 1_555 ?
C14 H30 C15 53.17(8) 1_555 1_555 ?
C14 H30 H32 70.81(7) 1_555 1_555 ?
C14 H30 H33 45.04(6) 1_555 1_555 ?
C14 H30 C16 80.90(9) 1_555 1_555 ?
C14 H30 H35 104.29(8) 1_555 1_555 ?
H31 H30 C15 64.86(4) 1_555 1_555 ?
H31 H30 H32 90.291(2) 1_555 1_555 ?
H31 H30 H33 56.7809(18) 1_555 1_555 ?
H31 H30 C16 71.65(3) 1_555 1_555 ?
H31 H30 H35 89.151(3) 1_555 1_555 ?
C15 H30 H35 55.69(3) 1_555 1_555 ?
H32 H30 H35 55.3056(19) 1_555 1_555 ?
H33 H30 H35 61.6712(19) 1_555 1_555 ?
N1 H31 H20 48.14(2) 1_545 1_545 ?
N1 H31 C10 47.47(3) 1_545 1_545 ?
N1 H31 H22 65.28(3) 1_545 1_555 ?
N1 H31 H29 47.49(2) 1_545 1_555 ?
N1 H31 C14 53.38(9) 1_545 1_555 ?
N1 H31 H30 77.58(4) 1_545 1_555 ?
N1 H31 C15 101.21(6) 1_545 1_555 ?
N1 H31 H32 95.44(3) 1_545 1_555 ?
N1 H31 H33 104.10(4) 1_545 1_555 ?
N1 H31 C16 134.72(5) 1_545 1_555 ?
N1 H31 H35 132.94(4) 1_545 1_555 ?
N1 H31 H36 156.95(4) 1_545 1_555 ?
H10 H31 C9 49.27(3) 1_555 1_545 ?
H10 H31 H20 52.0920(18) 1_555 1_545 ?
H10 H31 C10 80.48(3) 1_555 1_545 ?
H10 H31 H22 101.767(3) 1_555 1_555 ?
H10 H31 C13 60.08(3) 1_555 1_555 ?
H10 H31 H28 61.1618(17) 1_555 1_555 ?
H10 H31 H29 83.980(2) 1_555 1_555 ?
H10 H31 C14 60.43(7) 1_555 1_555 ?
H10 H31 H30 54.599(2) 1_555 1_555 ?
H10 H31 C15 112.00(4) 1_555 1_555 ?
H10 H31 H32 102.547(3) 1_555 1_555 ?
H10 H31 H33 129.720(3) 1_555 1_555 ?
H10 H31 C16 128.02(4) 1_555 1_555 ?
H10 H31 H35 111.593(4) 1_555 1_555 ?
H10 H31 H36 141.679(5) 1_555 1_555 ?
C9 H31 H22 53.80(3) 1_545 1_555 ?
C9 H31 C13 55.52(4) 1_545 1_555 ?
C9 H31 H28 71.71(3) 1_545 1_555 ?
C9 H31 H29 66.02(3) 1_545 1_555 ?
C9 H31 C14 82.23(10) 1_545 1_555 ?
C9 H31 H30 100.25(5) 1_545 1_555 ?
C9 H31 C15 127.47(7) 1_545 1_555 ?
C9 H31 H32 123.27(4) 1_545 1_555 ?
C9 H31 H33 122.06(4) 1_545 1_555 ?
C9 H31 C16 162.13(6) 1_545 1_555 ?
C9 H31 H35 159.40(4) 1_545 1_555 ?
C9 H31 H36 168.82(5) 1_545 1_555 ?
H20 H31 H22 62.1714(19) 1_545 1_555 ?
H20 H31 C13 76.26(4) 1_545 1_555 ?
H20 H31 H28 91.222(3) 1_545 1_555 ?
H20 H31 H29 86.799(3) 1_545 1_555 ?
H20 H31 C14 99.86(8) 1_545 1_555 ?
H20 H31 H30 106.678(3) 1_545 1_555 ?
H20 H31 C15 148.62(5) 1_545 1_555 ?
H20 H31 H32 143.583(4) 1_545 1_555 ?
H20 H31 H33 140.423(4) 1_545 1_555 ?
H20 H31 C16 176.56(4) 1_545 1_555 ?
H20 H31 H35 157.326(6) 1_545 1_555 ?
H20 H31 H36 154.592(6) 1_545 1_555 ?
C10 H31 C13 59.74(4) 1_545 1_555 ?
C10 H31 H28 78.50(3) 1_545 1_555 ?
C10 H31 H29 54.86(3) 1_545 1_555 ?
C10 H31 C14 92.51(10) 1_545 1_555 ?
C10 H31 H30 124.87(5) 1_545 1_555 ?
C10 H31 C15 114.93(6) 1_545 1_555 ?
C10 H31 H32 116.60(4) 1_545 1_555 ?
C10 H31 H33 98.53(4) 1_545 1_555 ?
C10 H31 C16 140.19(6) 1_545 1_555 ?
C10 H31 H35 159.66(4) 1_545 1_555 ?
C10 H31 H36 137.67(4) 1_545 1_555 ?
H22 H31 C13 67.98(4) 1_555 1_555 ?
H22 H31 H28 84.920(2) 1_555 1_555 ?
H22 H31 H29 53.4459(16) 1_555 1_555 ?
H22 H31 C14 99.02(8) 1_555 1_555 ?
H22 H31 H30 137.962(3) 1_555 1_555 ?
H22 H31 C15 102.24(5) 1_555 1_555 ?
H22 H31 H32 107.058(3) 1_555 1_555 ?
H22 H31 H33 81.441(2) 1_555 1_555 ?
H22 H31 C16 120.11(4) 1_555 1_555 ?
H22 H31 H35 140.433(4) 1_555 1_555 ?
H22 H31 H36 116.034(4) 1_555 1_555 ?
C13 H31 H30 69.99(4) 1_555 1_555 ?
C13 H31 C15 72.53(5) 1_555 1_555 ?
C13 H31 H32 67.75(3) 1_555 1_555 ?
C13 H31 H33 76.00(4) 1_555 1_555 ?
C13 H31 C16 106.87(5) 1_555 1_555 ?
C13 H31 H35 110.98(4) 1_555 1_555 ?
C13 H31 H36 128.07(4) 1_555 1_555 ?
H28 H31 H30 53.7460(19) 1_555 1_555 ?
H28 H31 C15 59.02(4) 1_555 1_555 ?
H28 H31 H32 52.4062(18) 1_555 1_555 ?
H28 H31 H33 69.3435(19) 1_555 1_555 ?
H28 H31 C16 91.57(3) 1_555 1_555 ?
H28 H31 H35 92.804(3) 1_555 1_555 ?
H28 H31 H36 114.127(3) 1_555 1_555 ?
H29 H31 C14 46.90(7) 1_555 1_555 ?
H29 H31 H30 87.191(3) 1_555 1_555 ?
H29 H31 C15 63.17(4) 1_555 1_555 ?
H29 H31 H32 62.4599(20) 1_555 1_555 ?
H29 H31 H33 57.5580(19) 1_555 1_555 ?
H29 H31 C16 96.64(3) 1_555 1_555 ?
H29 H31 H35 108.602(3) 1_555 1_555 ?
H29 H31 H36 112.955(3) 1_555 1_555 ?
C14 H31 C15 53.48(8) 1_555 1_555 ?
C14 H31 H32 45.16(7) 1_555 1_555 ?
C14 H31 H33 69.45(7) 1_555 1_555 ?
C14 H31 C16 82.48(9) 1_555 1_555 ?
C14 H31 H35 80.44(8) 1_555 1_555 ?
C14 H31 H36 105.32(8) 1_555 1_555 ?
H30 H31 C15 65.35(4) 1_555 1_555 ?
H30 H31 H32 56.1187(18) 1_555 1_555 ?
H30 H31 H33 89.549(2) 1_555 1_555 ?
H30 H31 C16 73.47(4) 1_555 1_555 ?
H30 H31 H35 59.184(3) 1_555 1_555 ?
H30 H31 H36 90.739(3) 1_555 1_555 ?
C15 H31 H35 46.03(3) 1_555 1_555 ?
C15 H31 H36 55.74(4) 1_555 1_555 ?
H32 H31 H35 46.2495(17) 1_555 1_555 ?
H32 H31 H36 61.721(2) 1_555 1_555 ?
H33 H31 H35 61.1263(19) 1_555 1_555 ?
H33 H31 H36 55.4196(19) 1_555 1_555 ?
C13 C15 H30 61.12(5) 1_555 1_555 ?
C13 C15 H31 60.66(5) 1_555 1_555 ?
C13 C15 H32 103.45(8) 1_555 1_555 ?
C13 C15 H33 101.92(8) 1_555 1_555 ?
C13 C15 C16 159.99(9) 1_555 1_555 ?
C13 C15 H34 179.02(5) 1_555 1_555 ?
C13 C15 H35 139.86(5) 1_555 1_555 ?
C13 C15 H36 139.01(5) 1_555 1_555 ?
H28 C15 C14 48.28(6) 1_555 1_555 ?
H28 C15 H30 61.44(3) 1_555 1_555 ?
H28 C15 H31 79.76(3) 1_555 1_555 ?
H28 C15 H32 80.81(6) 1_555 1_555 ?
H28 C15 H33 110.92(6) 1_555 1_555 ?
H28 C15 C16 157.95(7) 1_555 1_555 ?
H28 C15 H34 156.83(3) 1_555 1_555 ?
H28 C15 H35 131.48(3) 1_555 1_555 ?
H28 C15 H36 156.32(3) 1_555 1_555 ?
H29 C15 C14 53.85(6) 1_555 1_555 ?
H29 C15 H30 84.02(3) 1_555 1_555 ?
H29 C15 H31 69.43(3) 1_555 1_555 ?
H29 C15 H32 105.30(6) 1_555 1_555 ?
H29 C15 H33 78.24(6) 1_555 1_555 ?
H29 C15 C16 161.46(7) 1_555 1_555 ?
H29 C15 H34 155.32(3) 1_555 1_555 ?
H29 C15 H35 162.23(3) 1_555 1_555 ?
H29 C15 H36 137.07(3) 1_555 1_555 ?
C14 C15 H32 121.97(10) 1_555 1_555 ?
C14 C15 H33 122.61(10) 1_555 1_555 ?
C14 C15 C16 125.26(11) 1_555 1_555 ?
C14 C15 H34 146.01(8) 1_555 1_555 ?
C14 C15 H35 108.38(7) 1_555 1_555 ?
C14 C15 H36 108.48(7) 1_555 1_555 ?
H30 C15 H31 49.79(4) 1_555 1_555 ?
H30 C15 H32 104.07(6) 1_555 1_555 ?
H30 C15 H33 154.92(6) 1_555 1_555 ?
H30 C15 C16 101.86(7) 1_555 1_555 ?
H30 C15 H34 119.85(3) 1_555 1_555 ?
H30 C15 H35 78.78(4) 1_555 1_555 ?
H30 C15 H36 96.85(4) 1_555 1_555 ?
H31 C15 H32 153.02(6) 1_555 1_555 ?
H31 C15 H33 106.66(6) 1_555 1_555 ?
H31 C15 C16 100.77(7) 1_555 1_555 ?
H31 C15 H34 119.75(3) 1_555 1_555 ?
H31 C15 H35 95.71(4) 1_555 1_555 ?
H31 C15 H36 78.60(4) 1_555 1_555 ?
H32 C15 H33 97.67(7) 1_555 1_555 ?
H32 C15 C16 90.45(9) 1_555 1_555 ?
H32 C15 H34 76.51(6) 1_555 1_555 ?
H32 C15 H35 83.39(6) 1_555 1_555 ?
H32 C15 H36 115.87(6) 1_555 1_555 ?
H33 C15 C16 90.20(9) 1_555 1_555 ?
H33 C15 H34 77.13(6) 1_555 1_555 ?
H33 C15 H35 116.51(6) 1_555 1_555 ?
H33 C15 H36 84.55(6) 1_555 1_555 ?
H8 H32 H16 109.495(3) 1_555 2_646 ?
H8 H32 C13 151.47(4) 1_555 1_555 ?
H8 H32 H28 151.278(6) 1_555 1_555 ?
H8 H32 H29 131.890(5) 1_555 1_555 ?
H8 H32 C14 153.88(5) 1_555 1_555 ?
H8 H32 H30 153.397(4) 1_555 1_555 ?
H8 H32 H31 135.687(4) 1_555 1_555 ?
H8 H32 C15 119.31(8) 1_555 1_555 ?
H8 H32 H33 87.353(3) 1_555 1_555 ?
H8 H32 C16 78.61(4) 1_555 1_555 ?
H8 H32 H34 52.5756(18) 1_555 1_555 ?
H8 H32 H35 86.450(3) 1_555 1_555 ?
H8 H32 H36 85.512(2) 1_555 1_555 ?
H16 H32 C13 82.60(3) 2_646 1_555 ?
H16 H32 H28 63.3974(20) 2_646 1_555 ?
H16 H32 H29 96.040(3) 2_646 1_555 ?
H16 H32 C14 96.62(4) 2_646 1_555 ?
H16 H32 H30 84.375(2) 2_646 1_555 ?
H16 H32 H31 114.212(3) 2_646 1_555 ?
H16 H32 C15 131.13(9) 2_646 1_555 ?
H16 H32 H33 151.557(4) 2_646 1_555 ?
H16 H32 C16 139.98(6) 2_646 1_555 ?
H16 H32 H34 138.253(3) 2_646 1_555 ?
H16 H32 H35 113.050(3) 2_646 1_555 ?
H16 H32 H36 145.069(4) 2_646 1_555 ?
C13 H32 H30 49.65(2) 1_555 1_555 ?
C13 H32 H31 45.91(2) 1_555 1_555 ?
C13 H32 C15 55.67(8) 1_555 1_555 ?
C13 H32 H33 72.79(3) 1_555 1_555 ?
C13 H32 C16 109.19(6) 1_555 1_555 ?
C13 H32 H34 132.56(4) 1_555 1_555 ?
C13 H32 H35 113.18(4) 1_555 1_555 ?
C13 H32 H36 99.16(3) 1_555 1_555 ?
H28 H32 H30 55.1672(19) 1_555 1_555 ?
H28 H32 H31 62.582(2) 1_555 1_555 ?
H28 H32 C15 74.48(7) 1_555 1_555 ?
H28 H32 H33 90.677(3) 1_555 1_555 ?
H28 H32 C16 125.76(5) 1_555 1_555 ?
H28 H32 H34 150.984(5) 1_555 1_555 ?
H28 H32 H35 122.222(4) 1_555 1_555 ?
H28 H32 H36 116.628(3) 1_555 1_555 ?
H29 H32 H30 65.6929(19) 1_555 1_555 ?
H29 H32 H31 50.2816(17) 1_555 1_555 ?
H29 H32 C15 52.89(6) 1_555 1_555 ?
H29 H32 H33 56.654(2) 1_555 1_555 ?
H29 H32 C16 107.14(5) 1_555 1_555 ?
H29 H32 H34 124.386(5) 1_555 1_555 ?
H29 H32 H35 120.534(4) 1_555 1_555 ?
H29 H32 H36 96.344(3) 1_555 1_555 ?
C14 H32 H33 69.04(4) 1_555 1_555 ?
C14 H32 C16 81.02(6) 1_555 1_555 ?
C14 H32 H34 106.63(4) 1_555 1_555 ?
C14 H32 H35 82.69(4) 1_555 1_555 ?
C14 H32 H36 72.18(4) 1_555 1_555 ?
H30 H32 C15 50.30(6) 1_555 1_555 ?
H30 H32 H33 90.183(2) 1_555 1_555 ?
H30 H32 C16 76.50(4) 1_555 1_555 ?
H30 H32 H34 101.860(3) 1_555 1_555 ?
H30 H32 H35 67.058(2) 1_555 1_555 ?
H30 H32 H36 71.3739(19) 1_555 1_555 ?
H31 H32 H33 56.6012(18) 1_555 1_555 ?
H31 H32 C16 63.52(4) 1_555 1_555 ?
H31 H32 H34 88.459(3) 1_555 1_555 ?
H31 H32 H35 70.387(2) 1_555 1_555 ?
H31 H32 H36 54.0466(19) 1_555 1_555 ?
C15 H32 C16 54.84(8) 1_555 1_555 ?
C15 H32 H34 76.90(7) 1_555 1_555 ?
C15 H32 H35 69.54(7) 1_555 1_555 ?
H33 H32 C16 64.21(4) 1_555 1_555 ?
H33 H32 H34 70.184(2) 1_555 1_555 ?
H33 H32 H35 90.073(2) 1_555 1_555 ?
H33 H32 H36 55.7350(19) 1_555 1_555 ?
H5 H33 C13 80.74(3) 2_546 1_555 ?
H5 H33 H28 82.134(2) 2_546 1_555 ?
H5 H33 H29 63.722(2) 2_546 1_555 ?
H5 H33 C14 111.54(4) 2_546 1_555 ?
H5 H33 H30 126.615(4) 2_546 1_555 ?
H5 H33 H31 120.484(4) 2_546 1_555 ?
H5 H33 C15 131.50(8) 2_546 1_555 ?
H5 H33 H32 109.376(3) 2_546 1_555 ?
H5 H33 C16 163.78(5) 2_546 1_555 ?
H5 H33 H34 138.482(4) 2_546 1_555 ?
H5 H33 H35 163.140(4) 2_546 1_555 ?
H5 H33 H36 158.811(4) 2_546 1_555 ?
C13 H33 H30 46.64(2) 1_555 1_555 ?
C13 H33 H31 49.71(2) 1_555 1_555 ?
C13 H33 C15 57.31(8) 1_555 1_555 ?
C13 H33 H32 75.37(3) 1_555 1_555 ?
C13 H33 C16 111.26(6) 1_555 1_555 ?
C13 H33 H34 134.24(4) 1_555 1_555 ?
C13 H33 H35 100.74(3) 1_555 1_555 ?
C13 H33 H36 113.53(4) 1_555 1_555 ?
H28 H33 H30 45.5987(14) 1_555 1_555 ?
H28 H33 H31 61.8959(18) 1_555 1_555 ?
H28 H33 C15 50.10(7) 1_555 1_555 ?
H28 H33 H32 57.290(2) 1_555 1_555 ?
H28 H33 C16 105.49(4) 1_555 1_555 ?
H28 H33 H34 122.972(4) 1_555 1_555 ?
H28 H33 H35 93.764(3) 1_555 1_555 ?
H28 H33 H36 116.695(3) 1_555 1_555 ?
H29 H33 C14 47.88(3) 1_555 1_555 ?
H29 H33 H30 64.716(2) 1_555 1_555 ?
H29 H33 H31 61.169(2) 1_555 1_555 ?
H29 H33 C15 75.61(7) 1_555 1_555 ?
H29 H33 H32 88.391(3) 1_555 1_555 ?
H29 H33 C16 129.30(5) 1_555 1_555 ?
H29 H33 H34 152.495(5) 1_555 1_555 ?
H29 H33 H35 119.042(4) 1_555 1_555 ?
H29 H33 H36 127.451(4) 1_555 1_555 ?
C14 H33 H32 69.97(4) 1_555 1_555 ?
C14 H33 C16 81.76(6) 1_555 1_555 ?
C14 H33 H34 106.90(4) 1_555 1_555 ?
C14 H33 H35 72.58(3) 1_555 1_555 ?
C14 H33 H36 82.67(4) 1_555 1_555 ?
H30 H33 H32 56.2985(18) 1_555 1_555 ?
H30 H33 C16 64.63(4) 1_555 1_555 ?
H30 H33 H34 88.749(3) 1_555 1_555 ?
H30 H33 H35 54.4957(18) 1_555 1_555 ?
H30 H33 H36 71.1155(19) 1_555 1_555 ?
H31 H33 C15 48.81(6) 1_555 1_555 ?
H31 H33 H32 89.959(2) 1_555 1_555 ?
H31 H33 C16 75.53(4) 1_555 1_555 ?
H31 H33 H34 100.988(4) 1_555 1_555 ?
H31 H33 H35 70.544(2) 1_555 1_555 ?
H31 H33 H36 66.311(2) 1_555 1_555 ?
C15 H33 C16 55.63(8) 1_555 1_555 ?
C15 H33 H34 76.94(7) 1_555 1_555 ?
C15 H33 H36 68.99(7) 1_555 1_555 ?
H32 H33 C16 65.38(4) 1_555 1_555 ?
H32 H33 H34 69.810(2) 1_555 1_555 ?
H32 H33 H35 55.6602(18) 1_555 1_555 ?
H32 H33 H36 89.966(3) 1_555 1_555 ?
C14 C16 H32 55.95(5) 1_555 1_555 ?
C14 C16 H33 55.60(4) 1_555 1_555 ?
C14 C16 H34 155.10(9) 1_555 1_555 ?
C14 C16 H35 97.31(8) 1_555 1_555 ?
C14 C16 H36 97.76(9) 1_555 1_555 ?
H30 C16 H32 60.52(3) 1_555 1_555 ?
H30 C16 H33 76.50(3) 1_555 1_555 ?
H30 C16 H34 157.60(5) 1_555 1_555 ?
H30 C16 H35 74.94(5) 1_555 1_555 ?
H30 C16 H36 101.83(6) 1_555 1_555 ?
H31 C16 H32 77.14(3) 1_555 1_555 ?
H31 C16 H33 61.70(3) 1_555 1_555 ?
H31 C16 H34 161.58(5) 1_555 1_555 ?
H31 C16 H35 100.83(5) 1_555 1_555 ?
H31 C16 H36 75.57(6) 1_555 1_555 ?
C15 C16 H34 127.85(9) 1_555 1_555 ?
C15 C16 H35 113.73(9) 1_555 1_555 ?
C15 C16 H36 114.99(10) 1_555 1_555 ?
H32 C16 H33 50.40(4) 1_555 1_555 ?
H32 C16 H34 101.49(5) 1_555 1_555 ?
H32 C16 H35 100.87(6) 1_555 1_555 ?
H32 C16 H36 149.44(6) 1_555 1_555 ?
H33 C16 H34 103.01(5) 1_555 1_555 ?
H33 C16 H35 147.35(6) 1_555 1_555 ?
H33 C16 H36 103.52(6) 1_555 1_555 ?
H34 C16 H35 97.46(7) 1_555 1_555 ?
H34 C16 H36 100.04(7) 1_555 1_555 ?
H35 C16 H36 97.55(7) 1_555 1_555 ?
H8 H34 C15 97.73(4) 1_555 1_555 ?
H8 H34 H32 75.925(2) 1_555 1_555 ?
H8 H34 H33 86.969(3) 1_555 1_555 ?
H8 H34 C16 127.98(8) 1_555 1_555 ?
H8 H34 H35 129.727(4) 1_555 1_555 ?
H8 H34 H36 155.957(4) 1_555 1_555 ?
C15 H34 H35 65.20(4) 1_555 1_555 ?
C15 H34 H36 64.69(4) 1_555 1_555 ?
H32 H34 C16 52.37(6) 1_555 1_555 ?
H32 H34 H35 70.3299(20) 1_555 1_555 ?
H32 H34 H36 90.178(3) 1_555 1_555 ?
H33 H34 C16 51.08(6) 1_555 1_555 ?
H33 H34 H35 90.171(2) 1_555 1_555 ?
H33 H34 H36 70.124(2) 1_555 1_555 ?
H35 H34 H36 59.8594(16) 1_555 1_555 ?
C14 H35 H32 47.89(2) 1_555 1_555 ?
C14 H35 H33 45.18(2) 1_555 1_555 ?
C14 H35 C16 62.17(8) 1_555 1_555 ?
C14 H35 H34 100.64(4) 1_555 1_555 ?
C14 H35 H36 74.50(4) 1_555 1_555 ?
H30 H35 C15 45.53(3) 1_555 1_555 ?
H30 H35 H32 57.6362(20) 1_555 1_555 ?
H30 H35 H33 63.8331(20) 1_555 1_555 ?
H30 H35 C16 81.62(7) 1_555 1_555 ?
H30 H35 H34 119.151(4) 1_555 1_555 ?
H30 H35 H36 90.193(3) 1_555 1_555 ?
H31 H35 H32 63.3638(20) 1_555 1_555 ?
H31 H35 H33 48.3298(17) 1_555 1_555 ?
H31 H35 C16 58.84(6) 1_555 1_555 ?
H31 H35 H34 99.325(4) 1_555 1_555 ?
H31 H35 H36 58.536(3) 1_555 1_555 ?
C15 H35 H34 73.68(4) 1_555 1_555 ?
C15 H35 H36 68.30(4) 1_555 1_555 ?
H32 H35 C16 52.19(6) 1_555 1_555 ?
H32 H35 H34 69.6258(20) 1_555 1_555 ?
H32 H35 H36 89.931(3) 1_555 1_555 ?
H33 H35 H34 55.4845(19) 1_555 1_555 ?
H33 H35 H36 55.6645(18) 1_555 1_555 ?
H34 H35 H36 60.1828(16) 1_555 1_555 ?
C14 H36 H32 45.58(2) 1_555 1_555 ?
C14 H36 H33 47.70(2) 1_555 1_555 ?
C14 H36 C16 62.40(9) 1_555 1_555 ?
C14 H36 H34 100.92(4) 1_555 1_555 ?
C14 H36 H35 75.15(4) 1_555 1_555 ?
H31 H36 C15 45.66(3) 1_555 1_555 ?
H31 H36 H32 64.233(2) 1_555 1_555 ?
H31 H36 H33 58.2691(20) 1_555 1_555 ?
H31 H36 C16 81.57(7) 1_555 1_555 ?
H31 H36 H34 119.489(5) 1_555 1_555 ?
H31 H36 H35 89.902(3) 1_555 1_555 ?
C15 H36 H34 73.99(4) 1_555 1_555 ?
C15 H36 H35 69.15(4) 1_555 1_555 ?
H32 H36 H34 55.3565(19) 1_555 1_555 ?
H32 H36 H35 55.7307(19) 1_555 1_555 ?
H33 H36 C16 50.78(7) 1_555 1_555 ?
H33 H36 H34 69.787(2) 1_555 1_555 ?
H33 H36 H35 90.030(2) 1_555 1_555 ?
H34 H36 H35 59.9578(16) 1_555 1_555 ?


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

#=============================================================================
# Additional structures (last six sections and associated data_? identifiers) 
# may be added at this point.                                                 
#=============================================================================

# The following lines are used to test the character set of files sent by     
# network email or other means. They are not part of the CIF data set.        
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789              
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ 
_exptl_crystal_colour            Orange
_exptl_crystal_description       Powder
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lrwcf3
_database_code_depnum_ccdc_archive 'CCDC 1479582'
_audit_update_record             
;
2016-05-12 deposited with the CCDC.
2016-09-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            '(TBA)2[W6I8(CF3COO)6] '
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 F18 I8 O12 W6, 2(C16 H36 N)'
_chemical_formula_sum            'C44 H72 F18 I8 N2 O12 W6'
_chemical_formula_weight         3281.33

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.0862(4)
_cell_length_b                   13.2146(4)
_cell_length_c                   13.3544(4)
_cell_angle_alpha                114.963(2)
_cell_angle_beta                 102.910(3)
_cell_angle_gamma                102.138(3)
_cell_volume                     1915.66(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    243(2)
_cell_measurement_reflns_used    17913
_cell_measurement_theta_min      2.877
_cell_measurement_theta_max      25.026

_exptl_crystal_description       bloc
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.844
_exptl_crystal_F_000             1476
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    12.285
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.1180
_exptl_absorpt_correction_T_max  0.4031
_exptl_absorpt_process_details   'STOE X-Red/X-SHAPE/LANA'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      243(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'STOE IPDSII T'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17913
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.877
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_full        25.026
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             6690
_reflns_number_gt                6081
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'STOE IPDS-Software'
_computing_cell_refinement       'STOE IPDS-Software'
_computing_data_reduction        'STOE IPDS-Software'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3.1e'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0220P)²+11.3233P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6690
_refine_ls_number_parameters     462
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0786
_refine_ls_wR_factor_gt          0.0763
_refine_ls_goodness_of_fit_ref   1.186
_refine_ls_restrained_S_all      1.192
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.08991(3) 0.12059(3) -0.01379(3) 0.04491(9) Uani 1 1 d . . . . .
W2 W 0.12696(3) -0.03352(3) 0.05569(3) 0.04480(9) Uani 1 1 d . . . . .
W3 W 0.02159(3) 0.10993(3) 0.15483(3) 0.04404(9) Uani 1 1 d . . . . .
I1 I 0.20722(5) -0.02437(5) -0.11975(5) 0.05438(14) Uani 1 1 d . . . . .
I2 I 0.25093(4) 0.20680(5) 0.20735(5) 0.05438(14) Uani 1 1 d . . . . .
I3 I -0.01630(5) 0.27822(5) 0.09107(5) 0.05467(14) Uani 1 1 d . . . . .
I4 I -0.06259(5) 0.04629(5) -0.23729(5) 0.05475(14) Uani 1 1 d . . . . .
O1 O 0.1910(5) 0.2474(5) -0.0402(5) 0.0610(15) Uani 1 1 d . . . . .
C1 C 0.2503(8) 0.3553(9) 0.0229(9) 0.063(2) Uani 1 1 d . . . . .
O2 O 0.2561(7) 0.4242(7) 0.1217(7) 0.092(2) Uani 1 1 d . . . . .
C2 C 0.3202(11) 0.3985(11) -0.0343(13) 0.087(3) Uani 1 1 d . . . . .
F1 F 0.2659(10) 0.3712(12) -0.1404(11) 0.183(5) Uani 1 1 d . . . . .
F2 F 0.3959(10) 0.3543(13) -0.0454(15) 0.211(7) Uani 1 1 d . . . . .
F3 F 0.3698(12) 0.5088(8) 0.0186(12) 0.210(6) Uani 1 1 d . . . . .
O3 O 0.2671(5) -0.0812(6) 0.1060(5) 0.0610(15) Uani 1 1 d . . . . .
C3 C 0.3391(7) -0.0568(8) 0.2022(8) 0.057(2) Uani 1 1 d . . . . .
O4 O 0.3538(6) 0.0129(7) 0.3024(6) 0.085(2) Uani 1 1 d . . . . .
C4 C 0.4132(8) -0.1319(9) 0.1791(9) 0.066(2) Uani 1 1 d . . . . .
F4 F 0.4598(6) -0.1388(7) 0.2754(7) 0.102(2) Uani 1 1 d . . . . .
F5 F 0.3605(5) -0.2416(5) 0.0925(6) 0.0927(19) Uani 1 1 d . . . . .
F6 F 0.4976(5) -0.0837(6) 0.1565(7) 0.0922(19) Uani 1 1 d . . . . .
O5 O 0.0393(5) 0.2261(5) 0.3303(5) 0.0581(14) Uani 1 1 d . . . . .
C5 C 0.0960(8) 0.3350(8) 0.4049(8) 0.060(2) Uani 1 1 d . . . . .
O6 O 0.1585(6) 0.4087(6) 0.3927(7) 0.082(2) Uani 1 1 d . . . . .
C6 C 0.0788(9) 0.3728(9) 0.5202(9) 0.073(3) Uani 1 1 d . . . . .
F7 F -0.0222(7) 0.3699(10) 0.5118(8) 0.153(4) Uani 1 1 d . . . . .
F8 F 0.1397(9) 0.4798(9) 0.5993(7) 0.167(5) Uani 1 1 d . . . . .
F9 F 0.0919(13) 0.3060(11) 0.5637(9) 0.200(6) Uani 1 1 d . . . . .
N1 N 0.3207(6) 0.7401(7) 0.4694(6) 0.0606(19) Uani 1 1 d . . . . .
C7 C 0.3342(9) 0.8681(9) 0.5126(9) 0.069(3) Uani 1 1 d . . . . .
H7A H 0.359(8) 0.890(8) 0.450(8) 0.06(3) Uiso 1 1 d . . . . .
H7B H 0.412(8) 0.912(9) 0.572(9) 0.07(3) Uiso 1 1 d . . . . .
C8 C 0.2380(12) 0.9049(12) 0.5397(13) 0.083(3) Uani 1 1 d . . . . .
H8A H 0.173(12) 0.891(13) 0.496(13) 0.13(6) Uiso 1 1 d . . . . .
H8B H 0.228(11) 0.890(12) 0.600(12) 0.12(5) Uiso 1 1 d . . . . .
C9 C 0.2602(11) 1.0343(11) 0.5721(13) 0.086(4) Uani 1 1 d . . . . .
H9A H 0.305(9) 1.069(9) 0.645(10) 0.07(3) Uiso 1 1 d . . . . .
H9B H 0.267(8) 1.047(8) 0.505(9) 0.06(3) Uiso 1 1 d . . . . .
C10 C 0.1672(13) 1.0774(14) 0.6001(14) 0.118(5) Uani 1 1 d . . . . .
H10A H 0.1862 1.1602 0.6200 0.141 Uiso 1 1 calc R U . . .
H10B H 0.0988 1.0302 0.5319 0.141 Uiso 1 1 calc R U . . .
H10C H 0.1567 1.0696 0.6664 0.141 Uiso 1 1 calc R U . . .
C11 C 0.3020(8) 0.7037(9) 0.5588(8) 0.063(2) Uani 1 1 d . . . . .
H11A H 0.2882 0.6182 0.5248 0.076 Uiso 1 1 calc R U . . .
H11B H 0.2343 0.7171 0.5727 0.076 Uiso 1 1 calc R U . . .
C12 C 0.3971(9) 0.7682(11) 0.6769(9) 0.084(3) Uani 1 1 d . . . . .
H12A H 0.4655 0.7557 0.6644 0.101 Uiso 1 1 calc R U . . .
H12B H 0.4103 0.8537 0.7133 0.101 Uiso 1 1 calc R U . . .
C13 C 0.3711(11) 0.7243(13) 0.7585(10) 0.099(4) Uani 1 1 d . . . . .
H13A H 0.3024 0.7366 0.7699 0.119 Uiso 1 1 calc R U . . .
H13B H 0.3569 0.6385 0.7207 0.119 Uiso 1 1 calc R U . . .
C14 C 0.4577(14) 0.7811(19) 0.8717(14) 0.156(8) Uani 1 1 d . . . . .
H14A H 0.4350 0.7483 0.9193 0.188 Uiso 1 1 calc R U . . .
H14B H 0.5256 0.7676 0.8617 0.188 Uiso 1 1 calc R U . . .
H14C H 0.4710 0.8658 0.9109 0.188 Uiso 1 1 calc R U . . .
C15 C 0.2172(9) 0.6611(9) 0.3585(8) 0.063(2) Uani 1 1 d . . . . .
H15A H 0.222(8) 0.582(9) 0.325(8) 0.07(3) Uiso 1 1 d . . . . .
H15B H 0.157(7) 0.672(7) 0.388(7) 0.05(2) Uiso 1 1 d . . . . .
C16 C 0.2100(11) 0.6897(11) 0.2587(10) 0.079(3) Uani 1 1 d . . . . .
H16A H 0.215(8) 0.765(9) 0.278(8) 0.06(3) Uiso 1 1 d . . . . .
H16B H 0.274(13) 0.677(14) 0.227(14) 0.15(6) Uiso 1 1 d . . . . .
C17 C 0.1019(11) 0.6079(11) 0.1546(10) 0.080(3) Uani 1 1 d . . . . .
H17A H 0.107(9) 0.635(9) 0.080(10) 0.09(3) Uiso 1 1 d . . . . .
H17B H 0.103(7) 0.533(8) 0.133(8) 0.05(3) Uiso 1 1 d . . . . .
C18 C -0.0041(10) 0.6104(11) 0.1799(11) 0.096(4) Uani 1 1 d . . . . .
H18A H -0.0678 0.5555 0.1082 0.115 Uiso 1 1 calc R U . . .
H18B H -0.0060 0.5872 0.2395 0.115 Uiso 1 1 calc R U . . .
H18C H -0.0069 0.6902 0.2083 0.115 Uiso 1 1 calc R U . . .
C19 C 0.4251(10) 0.7236(12) 0.4463(11) 0.078(3) Uani 1 1 d . . . . .
H19A H 0.424(8) 0.727(9) 0.386(9) 0.07(3) Uiso 1 1 d . . . . .
H19B H 0.483(9) 0.782(10) 0.522(11) 0.09(4) Uiso 1 1 d . . . . .
C20 C 0.4364(12) 0.6033(13) 0.4117(13) 0.108(4) Uani 1 1 d D . . . .
H20A H 0.3804 0.5452 0.3336 0.130 Uiso 1 1 calc R U . . .
H20B H 0.4212 0.5785 0.4680 0.130 Uiso 1 1 calc R U . . .
C21 C 0.558(2) 0.602(3) 0.408(2) 0.232(16) Uani 1 1 d D . . . .
H21A H 0.6160 0.6716 0.4789 0.278 Uiso 1 1 calc R U . . .
H21B H 0.5685 0.5302 0.4058 0.278 Uiso 1 1 calc R U . . .
C22 C 0.565(3) 0.606(3) 0.315(3) 0.259(15) Uani 1 1 d D . . . .
H22A H 0.6376 0.6055 0.3106 0.311 Uiso 1 1 calc R U . . .
H22B H 0.5072 0.5370 0.2460 0.311 Uiso 1 1 calc R U . . .
H22C H 0.5545 0.6778 0.3189 0.311 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O1 2.112(6) . ?
W1 W3 2.6467(4) . ?
W1 W3 2.6488(5) 2 ?
W1 W2 2.6557(5) . ?
W1 W2 2.6580(5) 2 ?
W1 I2 2.7981(6) . ?
W1 I3 2.8030(7) . ?
W1 I4 2.8100(6) . ?
W1 I1 2.8192(7) . ?
W2 O3 2.122(6) . ?
W2 W3 2.6531(5) 2 ?
W2 W3 2.6541(5) . ?
W2 W1 2.6580(5) 2 ?
W2 I2 2.7848(6) . ?
W2 I3 2.7942(6) 2 ?
W2 I4 2.7960(6) 2 ?
W2 I1 2.8094(6) . ?
W3 O5 2.114(6) . ?
W3 W1 2.6488(5) 2 ?
W3 W2 2.6530(5) 2 ?
W3 I3 2.7909(6) . ?
W3 I2 2.7971(6) . ?
W3 I4 2.8077(6) 2 ?
W3 I1 2.8224(6) 2 ?
I1 W3 2.8224(6) 2 ?
I3 W2 2.7941(6) 2 ?
I4 W2 2.7961(6) 2 ?
I4 W3 2.8076(6) 2 ?
O1 C1 1.254(11) . ?
C1 O2 1.219(12) . ?
C1 C2 1.485(14) . ?
C2 F3 1.255(14) . ?
C2 F2 1.257(15) . ?
C2 F1 1.286(16) . ?
O3 C3 1.275(10) . ?
C3 O4 1.202(11) . ?
C3 C4 1.517(13) . ?
C4 F5 1.312(11) . ?
C4 F6 1.316(11) . ?
C4 F4 1.344(11) . ?
O5 C5 1.275(11) . ?
C5 O6 1.226(11) . ?
C5 C6 1.492(14) . ?
C6 F9 1.263(14) . ?
C6 F8 1.280(12) . ?
C6 F7 1.293(13) . ?
N1 C7 1.493(13) . ?
N1 C19 1.504(14) . ?
N1 C11 1.512(11) . ?
N1 C15 1.524(11) . ?
C7 C8 1.505(17) . ?
C8 C9 1.518(18) . ?
C9 C10 1.504(18) . ?
C11 C12 1.518(13) . ?
C12 C13 1.502(15) . ?
C13 C14 1.433(18) . ?
C15 C16 1.521(14) . ?
C16 C17 1.521(15) . ?
C17 C18 1.502(18) . ?
C19 C20 1.507(18) . ?
C20 C21 1.60(2) . ?
C21 C22 1.28(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 W1 W3 138.87(17) . . ?
O1 W1 W3 131.27(17) . 2 ?
W3 W1 W3 89.857(14) . 2 ?
O1 W1 W2 134.06(18) . . ?
W3 W1 W2 60.074(12) . . ?
W3 W1 W2 60.020(12) 2 . ?
O1 W1 W2 135.44(18) . 2 ?
W3 W1 W2 60.016(12) . 2 ?
W3 W1 W2 60.017(12) 2 2 ?
W2 W1 W2 90.252(14) . 2 ?
O1 W1 I2 90.30(17) . . ?
W3 W1 I2 61.750(15) . . ?
W3 W1 I2 121.352(18) 2 . ?
W2 W1 I2 61.344(15) . . ?
W2 W1 I2 121.755(18) 2 . ?
O1 W1 I3 91.31(18) . . ?
W3 W1 I3 61.531(15) . . ?
W3 W1 I3 121.489(18) 2 . ?
W2 W1 I3 121.588(18) . . ?
W2 W1 I3 61.480(15) 2 . ?
I2 W1 I3 90.157(19) . . ?
O1 W1 I4 85.80(17) . . ?
W3 W1 I4 121.434(17) . . ?
W3 W1 I4 61.822(15) 2 . ?
W2 W1 I4 121.829(18) . . ?
W2 W1 I4 61.433(15) 2 . ?
I2 W1 I4 176.10(2) . . ?
I3 W1 I4 89.728(19) . . ?
O1 W1 I1 84.54(18) . . ?
W3 W1 I1 121.716(18) . . ?
W3 W1 I1 62.059(15) 2 . ?
W2 W1 I1 61.661(15) . . ?
W2 W1 I1 122.058(18) 2 . ?
I2 W1 I1 89.451(19) . . ?
I3 W1 I1 175.83(2) . . ?
I4 W1 I1 90.382(19) . . ?
O3 W2 W3 131.12(17) . 2 ?
O3 W2 W3 139.27(17) . . ?
W3 W2 W3 89.605(14) 2 . ?
O3 W2 W1 135.46(17) . . ?
W3 W2 W1 59.861(12) 2 . ?
W3 W2 W1 59.794(12) . . ?
O3 W2 W1 134.50(17) . 2 ?
W3 W2 W1 59.778(12) 2 2 ?
W3 W2 W1 59.819(12) . 2 ?
W1 W2 W1 89.748(14) . 2 ?
O3 W2 I2 91.08(17) . . ?
W3 W2 I2 121.697(18) 2 . ?
W3 W2 I2 61.842(15) . . ?
W1 W2 I2 61.849(15) . . ?
W1 W2 I2 121.643(19) 2 . ?
O3 W2 I3 84.80(17) . 2 ?
W3 W2 I3 61.577(15) 2 2 ?
W3 W2 I3 121.626(18) . 2 ?
W1 W2 I3 121.419(18) . 2 ?
W1 W2 I3 61.815(16) 2 2 ?
I2 W2 I3 175.88(2) . 2 ?
O3 W2 I4 90.28(17) . 2 ?
W3 W2 I4 121.724(18) 2 2 ?
W3 W2 I4 61.951(15) . 2 ?
W1 W2 I4 121.725(18) . 2 ?
W1 W2 I4 61.962(15) 2 2 ?
I2 W2 I4 89.813(19) . 2 ?
I3 W2 I4 90.192(19) 2 2 ?
O3 W2 I1 85.07(17) . . ?
W3 W2 I1 62.143(15) 2 . ?
W3 W2 I1 121.809(18) . . ?
W1 W2 I1 62.033(16) . . ?
W1 W2 I1 121.902(17) 2 . ?
I2 W2 I1 89.920(19) . . ?
I3 W2 I1 89.741(19) 2 . ?
I4 W2 I1 175.34(2) 2 . ?
O5 W3 W1 138.32(16) . . ?
O5 W3 W1 131.54(16) . 2 ?
W1 W3 W1 90.142(14) . 2 ?
O5 W3 W2 134.44(17) . 2 ?
W1 W3 W2 60.204(12) . 2 ?
W1 W3 W2 60.119(12) 2 2 ?
O5 W3 W2 134.96(17) . . ?
W1 W3 W2 60.132(12) . . ?
W1 W3 W2 60.163(12) 2 . ?
W2 W3 W2 90.394(14) 2 . ?
O5 W3 I3 89.89(16) . . ?
W1 W3 I3 61.994(16) . . ?
W1 W3 I3 121.801(18) 2 . ?
W2 W3 I3 61.701(15) 2 . ?
W2 W3 I3 122.110(18) . . ?
O5 W3 I2 90.53(16) . . ?
W1 W3 I2 61.788(15) . . ?
W1 W3 I2 121.521(19) 2 . ?
W2 W3 I2 121.982(18) 2 . ?
W2 W3 I2 61.376(16) . . ?
I3 W3 I2 90.427(19) . . ?
O5 W3 I4 85.62(16) . 2 ?
W1 W3 I4 121.620(18) . 2 ?
W1 W3 I4 61.911(15) 2 2 ?
W2 W3 I4 122.017(18) 2 2 ?
W2 W3 I4 61.507(15) . 2 ?
I3 W3 I4 175.50(2) . 2 ?
I2 W3 I4 89.326(19) . 2 ?
O5 W3 I1 85.12(16) . 2 ?
W1 W3 I1 121.833(17) . 2 ?
W1 W3 I1 61.935(16) 2 2 ?
W2 W3 I1 61.648(15) 2 2 ?
W2 W3 I1 122.081(18) . 2 ?
I3 W3 I1 89.54(2) . 2 ?
I2 W3 I1 175.65(2) . 2 ?
I4 W3 I1 90.364(19) 2 2 ?
W2 I1 W1 56.306(14) . . ?
W2 I1 W3 56.210(14) . 2 ?
W1 I1 W3 56.006(14) . 2 ?
W2 I2 W3 56.782(14) . . ?
W2 I2 W1 56.807(14) . . ?
W3 I2 W1 56.462(14) . . ?
W3 I3 W2 56.721(14) . 2 ?
W3 I3 W1 56.475(14) . . ?
W2 I3 W1 56.703(14) 2 . ?
W2 I4 W3 56.540(14) 2 2 ?
W2 I4 W1 56.605(14) 2 . ?
W3 I4 W1 56.266(14) 2 . ?
C1 O1 W1 135.1(6) . . ?
O2 C1 O1 127.8(9) . . ?
O2 C1 C2 119.2(10) . . ?
O1 C1 C2 113.0(10) . . ?
F3 C2 F2 105.0(13) . . ?
F3 C2 F1 105.2(13) . . ?
F2 C2 F1 103.4(14) . . ?
F3 C2 C1 115.2(12) . . ?
F2 C2 C1 112.9(12) . . ?
F1 C2 C1 114.0(11) . . ?
C3 O3 W2 136.8(6) . . ?
O4 C3 O3 129.9(9) . . ?
O4 C3 C4 119.1(9) . . ?
O3 C3 C4 111.0(8) . . ?
F5 C4 F6 108.3(9) . . ?
F5 C4 F4 106.6(9) . . ?
F6 C4 F4 105.3(8) . . ?
F5 C4 C3 113.9(8) . . ?
F6 C4 C3 111.5(8) . . ?
F4 C4 C3 110.7(9) . . ?
C5 O5 W3 134.8(6) . . ?
O6 C5 O5 128.9(9) . . ?
O6 C5 C6 118.6(9) . . ?
O5 C5 C6 112.5(9) . . ?
F9 C6 F8 108.0(12) . . ?
F9 C6 F7 102.7(12) . . ?
F8 C6 F7 104.4(11) . . ?
F9 C6 C5 114.3(10) . . ?
F8 C6 C5 113.9(10) . . ?
F7 C6 C5 112.6(10) . . ?
C7 N1 C19 107.5(8) . . ?
C7 N1 C11 111.1(8) . . ?
C19 N1 C11 110.7(8) . . ?
C7 N1 C15 110.4(8) . . ?
C19 N1 C15 111.6(8) . . ?
C11 N1 C15 105.6(7) . . ?
N1 C7 C8 116.8(9) . . ?
C7 C8 C9 110.3(11) . . ?
C10 C9 C8 113.3(12) . . ?
N1 C11 C12 115.3(8) . . ?
C13 C12 C11 111.2(9) . . ?
C14 C13 C12 114.2(12) . . ?
C16 C15 N1 115.8(8) . . ?
C17 C16 C15 111.1(9) . . ?
C18 C17 C16 116.0(11) . . ?
N1 C19 C20 117.8(11) . . ?
C19 C20 C21 112.9(14) . . ?
C22 C21 C20 107(2) . . ?

_refine_diff_density_max         0.667
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.118

