#------------------------------------------------------------------------------
#$Date: 2025-06-25 11:07:24 +0300 (Wed, 25 Jun 2025) $
#$Revision: 300184 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/25/7052517.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7052517
loop_
_publ_author_name
'Sumod George'
'Ashwini Nangia'
'Meiyappan Muthuraman'
'Muriel Bagieu-Beucher'
'René Masse'
'Jean-François Nicoud'
_publ_section_title
;
 Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3
 adducts with a C--H⋯O supramolecular synthon. Implications for
 non-linear optics
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1520
_journal_page_last               1527
_journal_paper_doi               10.1039/b104646m
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C13 H15 N3 O4'
_chemical_formula_sum            'C13 H15 N3 O4'
_chemical_formula_weight         277.28
_chemical_name_common
;
(1,2-dihydro-N-tolyl-4,6-dimethylpyrimidin-2-ones) HNO3 salt
;
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_date             2000-03-24
_audit_creation_method           'by teXsan for Windows v1.06'
_audit_update_record
;
?
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.559(3)
_cell_length_b                   6.373(1)
_cell_length_c                   8.079(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    569.4
_cell_measurement_theta_max      14.0
_cell_measurement_theta_min      10.0
_cell_volume                     1367.5(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows v. 1.06 (MSC, 1997-1999)'
_computing_publication_material  'teXsan for Windows v. 1.06 (MSC, 1997-1999)'
_computing_structure_refinement  'teXsan for Windows v. 1.06 (MSC, 1997-1999)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      569.4
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.03466
_diffrn_orient_matrix_UB_12      -0.02254
_diffrn_orient_matrix_UB_13      0.04500
_diffrn_orient_matrix_UB_21      0.01449
_diffrn_orient_matrix_UB_22      0.02749
_diffrn_orient_matrix_UB_23      -0.11215
_diffrn_orient_matrix_UB_31      0.00252
_diffrn_orient_matrix_UB_32      0.15283
_diffrn_orient_matrix_UB_33      0.02683
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_av_sigmaI/netI    0.075
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4314
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         29.96
_diffrn_reflns_theta_min         3.07
_diffrn_standards_decay_%        -1.25
_diffrn_standards_interval_count 0
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            transparent
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_description       NONE
_exptl_crystal_F_000             584.00
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.43
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.835
_refine_ls_goodness_of_fit_ref   3.830
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     115
_refine_ls_number_reflns         773
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.0200
_refine_ls_shift/su_mean         0.0026
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00006|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0610
_refine_ls_wR_factor_ref         0.0610
_reflns_number_gt                773
_reflns_number_total             2333
_reflns_threshold_expression     I>3.00σ(I)
_cod_data_source_file            b104646m.txt
_cod_data_source_block           '__1Me.HNO3___'
_cod_depositor_comments
;
 Changing the values of the '_atom_site_label' and related data items
 (e. g. '_atom_site_aniso_label') to match each other in order to relate
 data from different loops.

 Antanas Vaitkus,
 2017-03-03

The following automatic conversions were performed:
data name '_geom_bond_atom_site_label_D' replaced with
'_geom_hbond_atom_site_label_D' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_bond_atom_site_label_H' replaced with
'_geom_hbond_atom_site_label_H' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_atom_site_label_a' replaced with
'_geom_hbond_atom_site_label_A' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_bond_distance_DH' replaced with '_geom_hbond_distance_DH'
as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_distance_HA' replaced with
'_geom_hbond_distance_HA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_distance_DA' replaced with
'_geom_hbond_distance_DA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_angle_DHA' replaced with '_geom_hbond_angle_DHA' as
specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_site_symmetry_A' replaced with
'_geom_hbond_site_symmetry_A' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 

 Adding authors' name manually from the paper's Web landing page.
;
_cod_original_cell_volume        1367.4(1)
_cod_original_sg_symbol_H-M      'P n m a    '
_cod_database_code               7052517
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
1/2+x,1/2-y,1/2-z
'   -x,1/2+y,   -z'
'1/2-x,   -y,1/2+z'
'   -x,   -y,   -z'
1/2-x,1/2+y,1/2+z
'   +x,1/2-y,   +z'
'1/2+x,   +y,1/2-z'
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_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
O1 0.35406(5) 0.2500 -0.0218(2) 0.0725(6) 0.500 ST Uani d
O2 0.34022(6) -0.2500 0.4220(2) 0.0870(7) 0.500 ST Uani d
O3 0.32838(6) -0.2500 0.1633(2) 0.0972(7) 0.500 ST Uani d
O4 0.26467(6) -0.2500 0.3222(2) 0.0756(6) 0.500 ST Uani d
N1 0.36180(6) 0.2500 0.2610(2) 0.0496(6) 0.500 ST Uani d
N2 0.28240(6) 0.2500 0.1385(2) 0.0523(6) 0.500 ST Uani d
N3 0.31188(7) -0.2500 0.3016(3) 0.0582(7) 0.500 ST Uani d
C1 0.33400(7) 0.2500 0.1151(3) 0.0518(8) 0.500 ST Uani d
C2 0.25939(7) 0.2500 0.2874(3) 0.0518(7) 0.500 ST Uani d
C3 0.28844(8) 0.2500 0.4257(3) 0.0492(7) 0.500 ST Uani d
C4 0.33949(8) 0.2500 0.4133(3) 0.0505(7) 0.500 ST Uani d
C5 0.37075(9) 0.2500 0.5623(3) 0.0685(9) 0.500 ST Uani d
C6 0.20396(8) 0.2500 0.2868(3) 0.0736(9) 0.500 ST Uani d
C7 0.41603(7) 0.2500 0.2442(3) 0.0510(7) 0.500 ST Uani d
C8 0.44118(6) 0.0685(3) 0.2367(3) 0.0914(7) 1.000 . Uani d
C9 0.49278(6) 0.0698(3) 0.2209(3) 0.1010(8) 1.000 . Uani d
C10 0.51973(7) 0.2500 0.2114(3) 0.0689(9) 0.500 ST Uani d
C11 0.57630(9) 0.2500 0.1957(4) 0.0980(11) 0.500 ST Uani d
H1 0.2676 0.2500 0.5473 0.048 0.500 S Uiso d
H2 0.3501 0.2500 0.6573 0.083 0.500 S Uiso d
H3 0.3912 0.1271 0.5633 0.083 1.000 . Uiso c
H4 0.1920 0.2500 0.1753 0.089 0.500 S Uiso d
H5 0.1923 0.1237 0.3345 0.089 1.000 . Uiso c
H6 0.4239 -0.0618 0.2428 0.110 1.000 . Uiso c
H7 0.5104 -0.0601 0.2157 0.121 1.000 . Uiso c
H8 0.5894 0.1283 0.2479 0.117 1.000 . Uiso c
H9 0.5853 0.2500 0.0822 0.117 0.500 S Uiso d
H10 0.2612 0.2500 0.0399 0.062 0.500 S Uiso d
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 52 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
H 0 60 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N 0 12 0.004 0.003
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O 0 16 0.008 0.006
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 O1 O3 125.4(2) . . . ?
O3 O1 O4 88.7(4) . . . ?
O3 O1 N1 66.5(8) . . . ?
O3 O1 N2 66.9(4) . . . ?
O3 O1 C1 62.7(7) . . . ?
O3 O1 C2 64.6(5) . . . ?
O3 O1 C4 64.2(8) . . . ?
O3 O1 C5 116.0(8) . . . ?
O3 O1 C6 50.04(10) . . . ?
O3 O1 C6 145.5(3) . . . ?
O3 O1 C7 77.6(7) . . . ?
O3 O1 C8 64.0(5) . . . ?
O3 O1 C8 100.3(5) . . . ?
O3 O1 C11 61.28(10) . . . ?
O3 O1 C11 162.9(2) . . . ?
O3 O1 H2 114.1 . . . no
O3 O1 H3 104.4 . . . no
O3 O1 H3 129.6 . . . no
O3 O1 H5 50.3 . . . no
O3 O1 H5 144.1 . . . no
O3 O1 H6 48.2 . . . no
O3 O1 H6 110.8 . . . no
O3 O1 H8 160.8 . . . no
O3 O1 H8 71.1 . . . no
O3 O1 H9 49.9 . . . no
O3 O1 H9 158.0 . . . no
O3 O1 H10 74.4 . . . no
O3 O1 O4 88.7(4) 1_565 1_565 1_565 ?
O3 O1 N1 66.5(8) 1_565 1_565 1_565 ?
O3 O1 N2 66.9(4) 1_565 1_565 1_565 ?
O3 O1 C1 62.7(7) 1_565 1_565 1_565 ?
O3 O1 C2 64.6(5) 1_565 1_565 1_565 ?
O3 O1 C4 64.2(8) 1_565 1_565 1_565 ?
O3 O1 C5 116.0(8) 1_565 1_565 1_565 ?
O3 O1 C6 145.5(3) 1_565 1_565 1_565 ?
O3 O1 C6 50.04(10) 1_565 1_565 1_565 ?
O3 O1 C7 77.6(7) 1_565 1_565 1_565 ?
O3 O1 C8 100.3(5) 1_565 1_565 1_565 ?
O3 O1 C8 64.0(5) 1_565 1_565 1_565 ?
O3 O1 C11 162.9(2) 1_565 1_565 1_565 ?
O3 O1 C11 61.28(10) 1_565 1_565 1_565 ?
O3 O1 H2 114.1 1_565 1_565 1_565 no
O3 O1 H3 129.6 1_565 1_565 1_565 no
O3 O1 H3 104.4 1_565 1_565 1_565 no
O3 O1 H5 144.1 1_565 1_565 1_565 no
O3 O1 H5 50.3 1_565 1_565 1_565 no
O3 O1 H6 110.8 1_565 1_565 1_565 no
O3 O1 H6 48.2 1_565 1_565 1_565 no
O3 O1 H8 71.1 1_565 1_565 1_565 no
O3 O1 H8 160.8 1_565 1_565 1_565 no
O3 O1 H9 158.0 1_565 1_565 1_565 no
O3 O1 H9 49.9 1_565 1_565 1_565 no
O3 O1 H10 74.4 1_565 1_565 1_565 no
O4 O1 N1 116.9(2) 4_554 4_554 4_554 ?
O4 O1 N2 56.03(13) 4_554 4_554 4_554 ?
O4 O1 C1 86.1(3) 4_554 4_554 4_554 ?
O4 O1 C2 66.60(12) 4_554 4_554 4_554 ?
O4 O1 C4 105.5(1) 4_554 4_554 4_554 ?
O4 O1 C5 75.73(13) 4_554 4_554 4_554 ?
O4 O1 C6 58.7(2) 4_554 4_554 4_554 ?
O4 O1 C6 58.7(2) 4_554 4_554 4_554 ?
O4 O1 C7 149.2(2) 4_554 4_554 4_554 ?
O4 O1 C8 151.6(2) 4_554 4_554 4_554 ?
O4 O1 C8 151.6(2) 4_554 4_554 4_554 ?
O4 O1 C11 107.7(4) 4_554 4_554 4_554 ?
O4 O1 C11 107.7(4) 4_554 4_554 4_554 ?
O4 O1 H2 65.9 4_554 4_554 4_554 no
O4 O1 H3 84.8 4_554 4_554 4_554 no
O4 O1 H3 84.8 4_554 4_554 4_554 no
O4 O1 H5 57.4 4_554 4_554 4_554 no
O4 O1 H5 57.4 4_554 4_554 4_554 no
O4 O1 H6 136.7 4_554 4_554 4_554 no
O4 O1 H6 136.7 4_554 4_554 4_554 no
O4 O1 H8 102.3 4_554 4_554 4_554 no
O4 O1 H8 102.3 4_554 4_554 4_554 no
O4 O1 H9 111.4 4_554 4_554 4_554 no
O4 O1 H9 111.4 4_554 4_554 4_554 no
O4 O1 H10 33.2 4_554 4_554 4_554 no
N1 O1 N2 60.9(2) . . . ?
N1 O1 C1 30.9(3) . . . ?
N1 O1 C2 50.3(2) . . . ?
N1 O1 C4 11.42(13) . . . ?
N1 O1 C5 167.3(2) . . . ?
N1 O1 C6 115.7(8) . . . ?
N1 O1 C6 115.7(8) . . . ?
N1 O1 C7 32.3(2) . . . ?
N1 O1 C8 46.5(3) . . . ?
N1 O1 C8 46.5(3) . . . ?
N1 O1 C11 108.2(8) . . . ?
N1 O1 C11 108.2(8) . . . ?
N1 O1 H2 177.2 . . . no
N1 O1 H3 155.2 . . . no
N1 O1 H3 155.2 . . . no
N1 O1 H5 115.7 . . . no
N1 O1 H5 115.7 . . . no
N1 O1 H6 48.4 . . . no
N1 O1 H6 48.4 . . . no
N1 O1 H8 119.9 . . . no
N1 O1 H8 119.9 . . . no
N1 O1 H9 95.4 . . . no
N1 O1 H9 95.4 . . . no
N1 O1 H10 83.7 . . . no
N2 O1 C1 30.0(3) . . . ?
N2 O1 C2 10.6(1) . . . ?
N2 O1 C4 49.5(1) . . . ?
N2 O1 C5 131.8(2) . . . ?
N2 O1 C6 84.0(5) . . . ?
N2 O1 C6 84.0(5) . . . ?
N2 O1 C7 93.2(2) . . . ?
N2 O1 C8 102.8(3) . . . ?
N2 O1 C8 102.8(3) . . . ?
N2 O1 C11 126.0(4) . . . ?
N2 O1 C11 126.0(4) . . . ?
N2 O1 H2 121.9 . . . no
N2 O1 H3 139.0 . . . no
N2 O1 H3 139.0 . . . no
N2 O1 H5 82.8 . . . no
N2 O1 H5 82.8 . . . no
N2 O1 H6 95.5 . . . no
N2 O1 H6 95.5 . . . no
N2 O1 H8 132.2 . . . no
N2 O1 H8 132.2 . . . no
N2 O1 H9 116.5 . . . no
N2 O1 H9 116.5 . . . no
N2 O1 H10 22.8 . . . no
C1 O1 C2 19.5(3) . . . ?
C1 O1 C4 19.4(3) . . . ?
C1 O1 C5 161.8(3) . . . ?
C1 O1 C6 100.8(7) . . . ?
C1 O1 C6 100.8(7) . . . ?
C1 O1 C7 63.2(3) . . . ?
C1 O1 C8 74.7(4) . . . ?
C1 O1 C8 74.7(4) . . . ?
C1 O1 C11 121.6(7) . . . ?
C1 O1 C11 121.6(7) . . . ?
C1 O1 H2 152.0 . . . no
C1 O1 H3 164.3 . . . no
C1 O1 H3 164.3 . . . no
C1 O1 H5 100.1 . . . no
C1 O1 H5 100.1 . . . no
C1 O1 H6 71.1 . . . no
C1 O1 H6 71.1 . . . no
C1 O1 H8 132.9 . . . no
C1 O1 H8 132.9 . . . no
C1 O1 H9 108.4 . . . no
C1 O1 H9 108.4 . . . no
C1 O1 H10 52.8 . . . no
C2 O1 C4 38.90(12) . . . ?
C2 O1 C5 142.3(2) . . . ?
C2 O1 C6 89.9(6) . . . ?
C2 O1 C6 89.9(6) . . . ?
C2 O1 C7 82.6(2) . . . ?
C2 O1 C8 92.9(3) . . . ?
C2 O1 C8 92.9(3) . . . ?
C2 O1 C11 125.7(5) . . . ?
C2 O1 C11 125.7(5) . . . ?
C2 O1 H2 132.5 . . . no
C2 O1 H3 148.8 . . . no
C2 O1 H3 148.8 . . . no
C2 O1 H5 88.9 . . . no
C2 O1 H5 88.9 . . . no
C2 O1 H6 86.8 . . . no
C2 O1 H6 86.8 . . . no
C2 O1 H8 134.2 . . . no
C2 O1 H8 134.2 . . . no
C2 O1 H9 114.4 . . . no
C2 O1 H9 114.4 . . . no
C2 O1 H10 33.4 . . . no
C4 O1 C5 178.8(2) . . . ?
C4 O1 C6 110.7(8) . . . ?
C4 O1 C6 110.7(8) . . . ?
C4 O1 C7 43.73(13) . . . ?
C4 O1 C8 56.8(3) . . . ?
C4 O1 C8 56.8(3) . . . ?
C4 O1 C11 113.9(8) . . . ?
C4 O1 C11 113.9(8) . . . ?
C4 O1 H2 171.4 . . . no
C4 O1 H3 163.9 . . . no
C4 O1 H3 163.9 . . . no
C4 O1 H5 110.4 . . . no
C4 O1 H5 110.4 . . . no
C4 O1 H6 56.2 . . . no
C4 O1 H6 56.2 . . . no
C4 O1 H8 125.9 . . . no
C4 O1 H8 125.9 . . . no
C4 O1 H9 100.6 . . . no
C4 O1 H9 100.6 . . . no
C4 O1 H10 72.3 . . . no
C5 O1 C6 69.8(8) 1_554 1_554 1_554 ?
C5 O1 C6 69.8(8) 1_554 1_554 1_554 ?
C5 O1 C7 135.0(2) 1_554 1_554 1_554 ?
C5 O1 C8 122.1(3) 1_554 1_554 1_554 ?
C5 O1 C8 122.1(3) 1_554 1_554 1_554 ?
C5 O1 C11 65.5(8) 1_554 1_554 1_554 ?
C5 O1 C11 65.5(8) 1_554 1_554 1_554 ?
C5 O1 H2 9.8 1_554 1_554 1_554 no
C5 O1 H3 15.4 1_554 1_554 1_554 no
C5 O1 H3 15.4 1_554 1_554 1_554 no
C5 O1 H5 70.2 1_554 1_554 1_554 no
C5 O1 H5 70.2 1_554 1_554 1_554 no
C5 O1 H6 122.9 1_554 1_554 1_554 no
C5 O1 H6 122.9 1_554 1_554 1_554 no
C5 O1 H8 53.5 1_554 1_554 1_554 no
C5 O1 H8 53.5 1_554 1_554 1_554 no
C5 O1 H9 78.9 1_554 1_554 1_554 no
C5 O1 H9 78.9 1_554 1_554 1_554 no
C5 O1 H10 109.0 1_554 1_554 1_554 no
C6 O1 C6 111.2(2) 4_554 4_554 4_554 ?
C6 O1 C7 124.1(6) 4_554 4_554 4_554 ?
C6 O1 C8 104.0(4) 4_554 4_554 4_554 ?
C6 O1 C8 144.7(4) 4_554 4_554 4_554 ?
C6 O1 C11 51.5(3) 4_554 4_554 4_554 ?
C6 O1 C11 135.3(2) 4_554 4_554 4_554 ?
C6 O1 H2 65.4 4_554 4_554 4_554 no
C6 O1 H3 63.6 4_554 4_554 4_554 no
C6 O1 H3 85.2 4_554 4_554 4_554 no
C6 O1 H5 1.4 4_554 4_554 4_554 no
C6 O1 H5 110.2 4_554 4_554 4_554 no
C6 O1 H6 89.3 4_554 4_554 4_554 no
C6 O1 H6 159.3 4_554 4_554 4_554 no
C6 O1 H8 123.4 4_554 4_554 4_554 no
C6 O1 H8 51.1 4_554 4_554 4_554 no
C6 O1 H9 52.7 4_554 4_554 4_554 no
C6 O1 H9 148.6 4_554 4_554 4_554 no
C6 O1 H10 71.8 4_554 4_554 4_554 no
C6 O1 C7 124.1(6) 4_564 4_564 4_564 ?
C6 O1 C8 144.7(4) 4_564 4_564 4_564 ?
C6 O1 C8 104.0(4) 4_564 4_564 4_564 ?
C6 O1 C11 135.3(2) 4_564 4_564 4_564 ?
C6 O1 C11 51.5(3) 4_564 4_564 4_564 ?
C6 O1 H2 65.4 4_564 4_564 4_564 no
C6 O1 H3 85.2 4_564 4_564 4_564 no
C6 O1 H3 63.6 4_564 4_564 4_564 no
C6 O1 H5 110.2 4_564 4_564 4_564 no
C6 O1 H5 1.4 4_564 4_564 4_564 no
C6 O1 H6 159.3 4_564 4_564 4_564 no
C6 O1 H6 89.3 4_564 4_564 4_564 no
C6 O1 H8 51.1 4_564 4_564 4_564 no
C6 O1 H8 123.4 4_564 4_564 4_564 no
C6 O1 H9 148.6 4_564 4_564 4_564 no
C6 O1 H9 52.7 4_564 4_564 4_564 no
C6 O1 H10 71.8 4_564 4_564 4_564 no
C7 O1 C8 22.8(2) . . . ?
C7 O1 C8 22.8(2) . . . ?
C7 O1 C11 89.9(7) . . . ?
C7 O1 C11 89.9(7) . . . ?
C7 O1 H2 144.9 . . . no
C7 O1 H3 125.1 . . . no
C7 O1 H3 125.1 . . . no
C7 O1 H5 124.9 . . . no
C7 O1 H5 124.9 . . . no
C7 O1 H6 35.2 . . . no
C7 O1 H6 35.2 . . . no
C7 O1 H8 99.1 . . . no
C7 O1 H8 99.1 . . . no
C7 O1 H9 80.5 . . . no
C7 O1 H9 80.5 . . . no
C7 O1 H10 116.0 . . . no
C8 O1 C8 40.7(2) . . . ?
C8 O1 C11 67.4(5) . . . ?
C8 O1 C11 100.3(6) . . . ?
C8 O1 H2 131.0 . . . no
C8 O1 H3 108.7 . . . no
C8 O1 H3 118.2 . . . no
C8 O1 H5 105.0 . . . no
C8 O1 H5 145.7 . . . no
C8 O1 H6 15.9 . . . no
C8 O1 H6 55.8 . . . no
C8 O1 H8 106.2 . . . no
C8 O1 H8 77.4 . . . no
C8 O1 H9 57.7 . . . no
C8 O1 H9 94.7 . . . no
C8 O1 H10 123.9 . . . no
C8 O1 C11 100.3(6) 7 7 7 ?
C8 O1 C11 67.4(5) 7 7 7 ?
C8 O1 H2 131.0 7 7 7 no
C8 O1 H3 118.2 7 7 7 no
C8 O1 H3 108.7 7 7 7 no
C8 O1 H5 145.7 7 7 7 no
C8 O1 H5 105.0 7 7 7 no
C8 O1 H6 55.8 7 7 7 no
C8 O1 H6 15.9 7 7 7 no
C8 O1 H8 77.4 7 7 7 no
C8 O1 H8 106.2 7 7 7 no
C8 O1 H9 94.7 7 7 7 no
C8 O1 H9 57.7 7 7 7 no
C8 O1 H10 123.9 7 7 7 no
C11 O1 C11 107.8(2) 3_645 3_645 3_645 ?
C11 O1 H2 70.3 3_645 3_645 3_645 no
C11 O1 H3 50.2 3_645 3_645 3_645 no
C11 O1 H3 73.4 3_645 3_645 3_645 no
C11 O1 H5 52.9 3_645 3_645 3_645 no
C11 O1 H5 135.6 3_645 3_645 3_645 no
C11 O1 H6 60.3 3_645 3_645 3_645 no
C11 O1 H6 115.6 3_645 3_645 3_645 no
C11 O1 H8 100.1 3_645 3_645 3_645 no
C11 O1 H8 12.0 3_645 3_645 3_645 no
C11 O1 H9 13.5 3_645 3_645 3_645 no
C11 O1 H9 117.2 3_645 3_645 3_645 no
C11 O1 H10 122.0 3_645 3_645 3_645 no
C11 O1 H2 70.3 3_655 3_655 3_655 no
C11 O1 H3 73.4 3_655 3_655 3_655 no
C11 O1 H3 50.2 3_655 3_655 3_655 no
C11 O1 H5 135.6 3_655 3_655 3_655 no
C11 O1 H5 52.9 3_655 3_655 3_655 no
C11 O1 H6 115.6 3_655 3_655 3_655 no
C11 O1 H6 60.3 3_655 3_655 3_655 no
C11 O1 H8 12.0 3_655 3_655 3_655 no
C11 O1 H8 100.1 3_655 3_655 3_655 no
C11 O1 H9 117.2 3_655 3_655 3_655 no
C11 O1 H9 13.5 3_655 3_655 3_655 no
C11 O1 H10 122.0 3_655 3_655 3_655 no
H2 O1 H3 22.5 1_554 1_554 1_554 no
H2 O1 H3 22.5 1_554 1_554 1_554 no
H2 O1 H5 65.6 1_554 1_554 1_554 no
H2 O1 H5 65.6 1_554 1_554 1_554 no
H2 O1 H6 129.7 1_554 1_554 1_554 no
H2 O1 H6 129.7 1_554 1_554 1_554 no
H2 O1 H8 58.5 1_554 1_554 1_554 no
H2 O1 H8 58.5 1_554 1_554 1_554 no
H2 O1 H9 83.3 1_554 1_554 1_554 no
H2 O1 H9 83.3 1_554 1_554 1_554 no
H2 O1 H10 99.1 1_554 1_554 1_554 no
H3 O1 H3 25.3 1_554 1_554 1_554 no
H3 O1 H5 64.3 1_554 1_554 1_554 no
H3 O1 H5 85.6 1_554 1_554 1_554 no
H3 O1 H6 107.8 1_554 1_554 1_554 no
H3 O1 H6 123.8 1_554 1_554 1_554 no
H3 O1 H8 61.8 1_554 1_554 1_554 no
H3 O1 H8 38.3 1_554 1_554 1_554 no
H3 O1 H9 63.7 1_554 1_554 1_554 no
H3 O1 H9 86.8 1_554 1_554 1_554 no
H3 O1 H10 117.1 1_554 1_554 1_554 no
H3 O1 H5 85.6 7_554 7_554 7_554 no
H3 O1 H5 64.3 7_554 7_554 7_554 no
H3 O1 H6 123.8 7_554 7_554 7_554 no
H3 O1 H6 107.8 7_554 7_554 7_554 no
H3 O1 H8 38.3 7_554 7_554 7_554 no
H3 O1 H8 61.8 7_554 7_554 7_554 no
H3 O1 H9 86.8 7_554 7_554 7_554 no
H3 O1 H9 63.7 7_554 7_554 7_554 no
H3 O1 H10 117.1 7_554 7_554 7_554 no
H5 O1 H5 109.2 4_554 4_554 4_554 no
H5 O1 H6 90.2 4_554 4_554 4_554 no
H5 O1 H6 160.0 4_554 4_554 4_554 no
H5 O1 H8 123.7 4_554 4_554 4_554 no
H5 O1 H8 52.4 4_554 4_554 4_554 no
H5 O1 H9 54.1 4_554 4_554 4_554 no
H5 O1 H9 148.8 4_554 4_554 4_554 no
H5 O1 H10 70.5 4_554 4_554 4_554 no
H5 O1 H6 160.0 6_554 6_554 6_554 no
H5 O1 H6 90.2 6_554 6_554 6_554 no
H5 O1 H8 52.4 6_554 6_554 6_554 no
H5 O1 H8 123.7 6_554 6_554 6_554 no
H5 O1 H9 148.8 6_554 6_554 6_554 no
H5 O1 H9 54.1 6_554 6_554 6_554 no
H5 O1 H10 70.5 6_554 6_554 6_554 no
H6 O1 H6 70.1 . . . no
H6 O1 H8 120.4 . . . no
H6 O1 H8 71.7 . . . no
H6 O1 H9 48.4 . . . no
H6 O1 H9 110.6 . . . no
H6 O1 H10 113.8 . . . no
H6 O1 H8 71.7 7 7 7 no
H6 O1 H8 120.4 7 7 7 no
H6 O1 H9 110.6 7 7 7 no
H6 O1 H9 48.4 7 7 7 no
H6 O1 H10 113.8 7 7 7 no
H8 O1 H8 91.1 3_655 3_655 3_655 no
H8 O1 H9 111.1 3_655 3_655 3_655 no
H8 O1 H9 25.4 3_655 3_655 3_655 no
H8 O1 H10 122.9 3_655 3_655 3_655 no
H8 O1 H9 25.4 5_655 5_655 5_655 no
H8 O1 H9 111.1 5_655 5_655 5_655 no
H8 O1 H10 122.9 5_655 5_655 5_655 no
H9 O1 H9 124.3 3_645 3_645 3_645 no
H9 O1 H10 117.7 3_645 3_645 3_645 no
H9 O1 H10 117.7 3_655 3_655 3_655 no
O3 O2 O4 59.6(2) . . . ?
O3 O2 N1 69.9(8) . . . ?
O3 O2 N1 69.9(8) . . . ?
O3 O2 N2 109.7(2) . . . ?
O3 O2 N3 29.2(3) . . . ?
O3 O2 C2 69.6(8) . . . ?
O3 O2 C2 129.6(2) . . . ?
O3 O2 C2 69.6(8) . . . ?
O3 O2 C3 87.1(9) . . . ?
O3 O2 C3 87.1(9) . . . ?
O3 O2 C4 88.7(10) . . . ?
O3 O2 C4 88.7(10) . . . ?
O3 O2 C5 110.9(9) . . . ?
O3 O2 C5 110.9(9) . . . ?
O3 O2 C6 149.7(2) . . . ?
O3 O2 C8 72.9(5) . . . ?
O3 O2 C8 72.9(5) . . . ?
O3 O2 C11 152.9(2) . . . ?
O3 O2 H1 100.7 . . . no
O3 O2 H1 100.7 . . . no
O3 O2 H2 121.1 . . . no
O3 O2 H2 121.1 . . . no
O3 O2 H3 116.5 . . . no
O3 O2 H3 116.5 . . . no
O3 O2 H4 148.7 . . . no
O3 O2 H5 153.6 . . . no
O3 O2 H5 153.6 . . . no
O3 O2 H6 67.8 . . . no
O3 O2 H6 67.8 . . . no
O3 O2 H8 150.5 . . . no
O3 O2 H8 150.5 . . . no
O3 O2 H10 100.9 . . . no
O4 O2 N1 90.8(4) . . . ?
O4 O2 N1 90.8(4) . . . ?
O4 O2 N2 50.1(1) . . . ?
O4 O2 N3 30.4(3) . . . ?
O4 O2 C2 53.1(2) . . . ?
O4 O2 C2 70.0(2) . . . ?
O4 O2 C2 53.1(2) . . . ?
O4 O2 C3 68.6(4) . . . ?
O4 O2 C3 68.6(4) . . . ?
O4 O2 C4 89.2(4) . . . ?
O4 O2 C4 89.2(4) . . . ?
O4 O2 C5 109.7(3) . . . ?
O4 O2 C5 109.7(3) . . . ?
O4 O2 C6 90.2(2) . . . ?
O4 O2 C8 121.6(4) . . . ?
O4 O2 C8 121.6(4) . . . ?
O4 O2 C11 147.6(2) . . . ?
O4 O2 H1 68.6 . . . no
O4 O2 H1 68.6 . . . no
O4 O2 H2 104.8 . . . no
O4 O2 H2 104.8 . . . no
O4 O2 H3 124.3 . . . no
O4 O2 H3 124.3 . . . no
O4 O2 H4 89.2 . . . no
O4 O2 H5 97.2 . . . no
O4 O2 H5 97.2 . . . no
O4 O2 H6 121.5 . . . no
O4 O2 H6 121.5 . . . no
O4 O2 H8 144.6 . . . no
O4 O2 H8 144.6 . . . no
O4 O2 H10 41.4 . . . no
N1 O2 N1 131.9(2) . . . ?
N1 O2 N2 108.7(4) . . . ?
N1 O2 N3 78.8(7) . . . ?
N1 O2 C2 42.1(2) . . . ?
N1 O2 C2 112.8(6) . . . ?
N1 O2 C2 135.7(2) . . . ?
N1 O2 C3 39.6(2) . . . ?
N1 O2 C3 155.1(2) . . . ?
N1 O2 C4 23.0(2) . . . ?
N1 O2 C4 154.9(2) . . . ?
N1 O2 C5 41.10(11) . . . ?
N1 O2 C5 156.9(2) . . . ?
N1 O2 C6 114.0(8) . . . ?
N1 O2 C8 39.2(2) . . . ?
N1 O2 C8 103.4(2) . . . ?
N1 O2 C11 101.9(7) . . . ?
N1 O2 H1 55.0 . . . no
N1 O2 H1 159.0 . . . no
N1 O2 H2 52.9 . . . no
N1 O2 H2 164.0 . . . no
N1 O2 H3 48.1 . . . no
N1 O2 H3 143.4 . . . no
N1 O2 H4 114.0 . . . no
N1 O2 H5 100.6 . . . no
N1 O2 H5 126.8 . . . no
N1 O2 H6 46.6 . . . no
N1 O2 H6 93.8 . . . no
N1 O2 H8 114.6 . . . no
N1 O2 H8 89.6 . . . no
N1 O2 H10 106.2 . . . no
N1 O2 N2 108.7(4) 1_545 1_545 1_545 ?
N1 O2 N3 78.8(7) 1_545 1_545 1_545 ?
N1 O2 C2 135.7(2) 1_545 1_545 1_545 ?
N1 O2 C2 112.8(6) 1_545 1_545 1_545 ?
N1 O2 C2 42.1(2) 1_545 1_545 1_545 ?
N1 O2 C3 155.1(2) 1_545 1_545 1_545 ?
N1 O2 C3 39.6(2) 1_545 1_545 1_545 ?
N1 O2 C4 154.9(2) 1_545 1_545 1_545 ?
N1 O2 C4 23.0(2) 1_545 1_545 1_545 ?
N1 O2 C5 156.9(2) 1_545 1_545 1_545 ?
N1 O2 C5 41.10(11) 1_545 1_545 1_545 ?
N1 O2 C6 114.0(8) 1_545 1_545 1_545 ?
N1 O2 C8 103.4(2) 1_545 1_545 1_545 ?
N1 O2 C8 39.2(2) 1_545 1_545 1_545 ?
N1 O2 C11 101.9(7) 1_545 1_545 1_545 ?
N1 O2 H1 159.0 1_545 1_545 1_545 no
N1 O2 H1 55.0 1_545 1_545 1_545 no
N1 O2 H2 164.0 1_545 1_545 1_545 no
N1 O2 H2 52.9 1_545 1_545 1_545 no
N1 O2 H3 143.4 1_545 1_545 1_545 no
N1 O2 H3 48.1 1_545 1_545 1_545 no
N1 O2 H4 114.0 1_545 1_545 1_545 no
N1 O2 H5 126.8 1_545 1_545 1_545 no
N1 O2 H5 100.6 1_545 1_545 1_545 no
N1 O2 H6 93.8 1_545 1_545 1_545 no
N1 O2 H6 46.6 1_545 1_545 1_545 no
N1 O2 H8 89.6 1_545 1_545 1_545 no
N1 O2 H8 114.6 1_545 1_545 1_545 no
N1 O2 H10 106.2 1_545 1_545 1_545 no
N2 O2 N3 80.5(3) 4 4 4 ?
N2 O2 C2 69.8(5) 4 4 4 ?
N2 O2 C2 19.89(9) 4 4 4 ?
N2 O2 C2 69.8(5) 4 4 4 ?
N2 O2 C3 69.3(5) 4 4 4 ?
N2 O2 C3 69.3(5) 4 4 4 ?
N2 O2 C4 90.3(5) 4 4 4 ?
N2 O2 C4 90.3(5) 4 4 4 ?
N2 O2 C5 92.9(5) 4 4 4 ?
N2 O2 C5 92.9(5) 4 4 4 ?
N2 O2 C6 40.05(12) 4 4 4 ?
N2 O2 C8 146.5(2) 4 4 4 ?
N2 O2 C8 146.5(2) 4 4 4 ?
N2 O2 C11 97.4(2) 4 4 4 ?
N2 O2 H1 55.7 4 4 4 no
N2 O2 H1 55.7 4 4 4 no
N2 O2 H2 79.7 4 4 4 no
N2 O2 H2 79.7 4 4 4 no
N2 O2 H3 102.6 4 4 4 no
N2 O2 H3 102.6 4 4 4 no
N2 O2 H4 39.0 4 4 4 no
N2 O2 H5 48.6 4 4 4 no
N2 O2 H5 48.6 4 4 4 no
N2 O2 H6 155.2 4 4 4 no
N2 O2 H6 155.2 4 4 4 no
N2 O2 H8 96.6 4 4 4 no
N2 O2 H8 96.6 4 4 4 no
N2 O2 H10 8.8 4 4 4 no
N3 O2 C2 57.0(6) . . . ?
N3 O2 C2 100.4(3) . . . ?
N3 O2 C2 57.0(6) . . . ?
N3 O2 C3 76.4(8) . . . ?
N3 O2 C3 76.4(8) . . . ?
N3 O2 C4 88.8(8) . . . ?
N3 O2 C4 88.8(8) . . . ?
N3 O2 C5 113.6(7) . . . ?
N3 O2 C5 113.6(7) . . . ?
N3 O2 C6 120.6(3) . . . ?
N3 O2 C8 97.1(5) . . . ?
N3 O2 C8 97.1(5) . . . ?
N3 O2 C11 177.9(3) . . . ?
N3 O2 H1 84.4 . . . no
N3 O2 H1 84.4 . . . no
N3 O2 H2 116.6 . . . no
N3 O2 H2 116.6 . . . no
N3 O2 H3 125.5 . . . no
N3 O2 H3 125.5 . . . no
N3 O2 H4 119.6 . . . no
N3 O2 H5 126.6 . . . no
N3 O2 H5 126.6 . . . no
N3 O2 H6 94.2 . . . no
N3 O2 H6 94.2 . . . no
N3 O2 H8 166.3 . . . no
N3 O2 H8 166.3 . . . no
N3 O2 H10 71.7 . . . no
C2 O2 C2 81.0(6) . . . ?
C2 O2 C2 105.9(2) . . . ?
C2 O2 C3 19.4(2) . . . ?
C2 O2 C3 121.5(2) . . . ?
C2 O2 C4 36.2(2) . . . ?
C2 O2 C4 142.1(2) . . . ?
C2 O2 C5 58.87(11) . . . ?
C2 O2 C5 160.9(2) . . . ?
C2 O2 C6 93.1(7) . . . ?
C2 O2 C8 80.8(4) . . . ?
C2 O2 C8 136.1(3) . . . ?
C2 O2 C11 122.3(6) . . . ?
C2 O2 H1 31.1 . . . no
C2 O2 H1 117.5 . . . no
C2 O2 H2 59.6 . . . no
C2 O2 H2 149.4 . . . no
C2 O2 H3 72.9 . . . no
C2 O2 H3 172.1 . . . no
C2 O2 H4 92.5 . . . no
C2 O2 H5 86.8 . . . no
C2 O2 H5 107.9 . . . no
C2 O2 H6 86.9 . . . no
C2 O2 H6 127.1 . . . no
C2 O2 H8 134.6 . . . no
C2 O2 H8 109.4 . . . no
C2 O2 H10 65.4 . . . no
C2 O2 C2 81.0(6) 4 4 4 ?
C2 O2 C3 74.3(7) 4 4 4 ?
C2 O2 C3 74.3(7) 4 4 4 ?
C2 O2 C4 90.7(8) 4 4 4 ?
C2 O2 C4 90.7(8) 4 4 4 ?
C2 O2 C5 85.0(7) 4 4 4 ?
C2 O2 C5 85.0(7) 4 4 4 ?
C2 O2 C6 20.16(12) 4 4 4 ?
C2 O2 C8 142.1(4) 4 4 4 ?
C2 O2 C8 142.1(4) 4 4 4 ?
C2 O2 C11 77.5(1) 4 4 4 ?
C2 O2 H1 58.1 4 4 4 no
C2 O2 H1 58.1 4 4 4 no
C2 O2 H2 70.5 4 4 4 no
C2 O2 H2 70.5 4 4 4 no
C2 O2 H3 91.0 4 4 4 no
C2 O2 H3 91.0 4 4 4 no
C2 O2 H4 19.2 4 4 4 no
C2 O2 H5 30.1 4 4 4 no
C2 O2 H5 30.1 4 4 4 no
C2 O2 H6 151.6 4 4 4 no
C2 O2 H6 151.6 4 4 4 no
C2 O2 H8 77.3 4 4 4 no
C2 O2 H8 77.3 4 4 4 no
C2 O2 H10 28.7 4 4 4 no
C2 O2 C3 121.5(2) 1_545 1_545 1_545 ?
C2 O2 C3 19.4(2) 1_545 1_545 1_545 ?
C2 O2 C4 142.1(2) 1_545 1_545 1_545 ?
C2 O2 C4 36.2(2) 1_545 1_545 1_545 ?
C2 O2 C5 160.9(2) 1_545 1_545 1_545 ?
C2 O2 C5 58.87(11) 1_545 1_545 1_545 ?
C2 O2 C6 93.1(7) 1_545 1_545 1_545 ?
C2 O2 C8 136.1(3) 1_545 1_545 1_545 ?
C2 O2 C8 80.8(4) 1_545 1_545 1_545 ?
C2 O2 C11 122.3(6) 1_545 1_545 1_545 ?
C2 O2 H1 117.5 1_545 1_545 1_545 no
C2 O2 H1 31.1 1_545 1_545 1_545 no
C2 O2 H2 149.4 1_545 1_545 1_545 no
C2 O2 H2 59.6 1_545 1_545 1_545 no
C2 O2 H3 172.1 1_545 1_545 1_545 no
C2 O2 H3 72.9 1_545 1_545 1_545 no
C2 O2 H4 92.5 1_545 1_545 1_545 no
C2 O2 H5 107.9 1_545 1_545 1_545 no
C2 O2 H5 86.8 1_545 1_545 1_545 no
C2 O2 H6 127.1 1_545 1_545 1_545 no
C2 O2 H6 86.9 1_545 1_545 1_545 no
C2 O2 H8 109.4 1_545 1_545 1_545 no
C2 O2 H8 134.6 1_545 1_545 1_545 no
C2 O2 H10 65.4 1_545 1_545 1_545 no
C3 O2 C3 133.3(2) . . . ?
C3 O2 C4 23.06(10) . . . ?
C3 O2 C4 156.3(2) . . . ?
C3 O2 C5 41.3(2) . . . ?
C3 O2 C5 158.5(2) . . . ?
C3 O2 C6 81.1(9) . . . ?
C3 O2 C8 77.6(3) . . . ?
C3 O2 C8 143.0(4) . . . ?
C3 O2 C11 102.9(8) . . . ?
C3 O2 H1 16.6 . . . no
C3 O2 H1 123.9 . . . no
C3 O2 H2 40.3 . . . no
C3 O2 H2 144.1 . . . no
C3 O2 H3 55.8 . . . no
C3 O2 H3 156.3 . . . no
C3 O2 H4 80.7 . . . no
C3 O2 H5 71.7 . . . no
C3 O2 H5 96.0 . . . no
C3 O2 H6 85.9 . . . no
C3 O2 H6 133.2 . . . no
C3 O2 H8 115.3 . . . no
C3 O2 H8 90.1 . . . no
C3 O2 H10 67.9 . . . no
C3 O2 C4 156.3(2) 1_545 1_545 1_545 ?
C3 O2 C4 23.06(10) 1_545 1_545 1_545 ?
C3 O2 C5 158.5(2) 1_545 1_545 1_545 ?
C3 O2 C5 41.3(2) 1_545 1_545 1_545 ?
C3 O2 C6 81.1(9) 1_545 1_545 1_545 ?
C3 O2 C8 143.0(4) 1_545 1_545 1_545 ?
C3 O2 C8 77.6(3) 1_545 1_545 1_545 ?
C3 O2 C11 102.9(8) 1_545 1_545 1_545 ?
C3 O2 H1 123.9 1_545 1_545 1_545 no
C3 O2 H1 16.6 1_545 1_545 1_545 no
C3 O2 H2 144.1 1_545 1_545 1_545 no
C3 O2 H2 40.3 1_545 1_545 1_545 no
C3 O2 H3 156.3 1_545 1_545 1_545 no
C3 O2 H3 55.8 1_545 1_545 1_545 no
C3 O2 H4 80.7 1_545 1_545 1_545 no
C3 O2 H5 96.0 1_545 1_545 1_545 no
C3 O2 H5 71.7 1_545 1_545 1_545 no
C3 O2 H6 133.2 1_545 1_545 1_545 no
C3 O2 H6 85.9 1_545 1_545 1_545 no
C3 O2 H8 90.1 1_545 1_545 1_545 no
C3 O2 H8 115.3 1_545 1_545 1_545 no
C3 O2 H10 67.9 1_545 1_545 1_545 no
C4 O2 C4 177.4(2) . . . ?
C4 O2 C5 24.9(2) . . . ?
C4 O2 C5 157.6(2) . . . ?
C4 O2 C6 91.0(9) . . . ?
C4 O2 C8 56.2(4) . . . ?
C4 O2 C8 123.1(4) . . . ?
C4 O2 C11 91.2(8) . . . ?
C4 O2 H1 34.6 . . . no
C4 O2 H1 145.9 . . . no
C4 O2 H2 32.4 . . . no
C4 O2 H2 150.2 . . . no
C4 O2 H3 37.5 . . . no
C4 O2 H3 144.7 . . . no
C4 O2 H4 91.0 . . . no
C4 O2 H5 78.0 . . . no
C4 O2 H5 104.3 . . . no
C4 O2 H6 65.3 . . . no
C4 O2 H6 113.9 . . . no
C4 O2 H8 104.6 . . . no
C4 O2 H8 77.8 . . . no
C4 O2 H10 90.1 . . . no
C4 O2 C5 157.6(2) 1_545 1_545 1_545 ?
C4 O2 C5 24.9(2) 1_545 1_545 1_545 ?
C4 O2 C6 91.0(9) 1_545 1_545 1_545 ?
C4 O2 C8 123.1(4) 1_545 1_545 1_545 ?
C4 O2 C8 56.2(4) 1_545 1_545 1_545 ?
C4 O2 C11 91.2(8) 1_545 1_545 1_545 ?
C4 O2 H1 145.9 1_545 1_545 1_545 no
C4 O2 H1 34.6 1_545 1_545 1_545 no
C4 O2 H2 150.2 1_545 1_545 1_545 no
C4 O2 H2 32.4 1_545 1_545 1_545 no
C4 O2 H3 144.7 1_545 1_545 1_545 no
C4 O2 H3 37.5 1_545 1_545 1_545 no
C4 O2 H4 91.0 1_545 1_545 1_545 no
C4 O2 H5 104.3 1_545 1_545 1_545 no
C4 O2 H5 78.0 1_545 1_545 1_545 no
C4 O2 H6 113.9 1_545 1_545 1_545 no
C4 O2 H6 65.3 1_545 1_545 1_545 no
C4 O2 H8 77.8 1_545 1_545 1_545 no
C4 O2 H8 104.6 1_545 1_545 1_545 no
C4 O2 H10 90.1 1_545 1_545 1_545 no
C5 O2 C5 132.7(2) . . . ?
C5 O2 C6 77.5(8) . . . ?
C5 O2 C8 57.1(3) . . . ?
C5 O2 C8 117.9(4) . . . ?
C5 O2 C11 66.4(7) . . . ?
C5 O2 H1 43.5 . . . no
C5 O2 H1 141.9 . . . no
C5 O2 H2 14.6 . . . no
C5 O2 H2 127.0 . . . no
C5 O2 H3 14.6 . . . no
C5 O2 H3 120.5 . . . no
C5 O2 H4 77.8 . . . no
C5 O2 H5 62.7 . . . no
C5 O2 H5 87.6 . . . no
C5 O2 H6 66.8 . . . no
C5 O2 H6 111.2 . . . no
C5 O2 H8 79.8 . . . no
C5 O2 H8 53.0 . . . no
C5 O2 H10 96.4 . . . no
C5 O2 C6 77.5(8) 1_545 1_545 1_545 ?
C5 O2 C8 117.9(4) 1_545 1_545 1_545 ?
C5 O2 C8 57.1(3) 1_545 1_545 1_545 ?
C5 O2 C11 66.4(7) 1_545 1_545 1_545 ?
C5 O2 H1 141.9 1_545 1_545 1_545 no
C5 O2 H1 43.5 1_545 1_545 1_545 no
C5 O2 H2 127.0 1_545 1_545 1_545 no
C5 O2 H2 14.6 1_545 1_545 1_545 no
C5 O2 H3 120.5 1_545 1_545 1_545 no
C5 O2 H3 14.6 1_545 1_545 1_545 no
C5 O2 H4 77.8 1_545 1_545 1_545 no
C5 O2 H5 87.6 1_545 1_545 1_545 no
C5 O2 H5 62.7 1_545 1_545 1_545 no
C5 O2 H6 111.2 1_545 1_545 1_545 no
C5 O2 H6 66.8 1_545 1_545 1_545 no
C5 O2 H8 53.0 1_545 1_545 1_545 no
C5 O2 H8 79.8 1_545 1_545 1_545 no
C5 O2 H10 96.4 1_545 1_545 1_545 no
C6 O2 C8 130.3(5) 4 4 4 ?
C6 O2 C8 130.3(5) 4 4 4 ?
C6 O2 C11 57.4(2) 4 4 4 ?
C6 O2 H1 64.6 4 4 4 no
C6 O2 H1 64.6 4 4 4 no
C6 O2 H2 63.3 4 4 4 no
C6 O2 H2 63.3 4 4 4 no
C6 O2 H3 79.2 4 4 4 no
C6 O2 H3 79.2 4 4 4 no
C6 O2 H4 1.0 4 4 4 no
C6 O2 H5 15.0 4 4 4 no
C6 O2 H5 15.0 4 4 4 no
C6 O2 H6 138.1 4 4 4 no
C6 O2 H6 138.1 4 4 4 no
C6 O2 H8 57.8 4 4 4 no
C6 O2 H8 57.8 4 4 4 no
C6 O2 H10 48.8 4 4 4 no
C8 O2 C8 66.9(2) . . . ?
C8 O2 C11 84.6(5) . . . ?
C8 O2 H1 90.9 . . . no
C8 O2 H1 157.8 . . . no
C8 O2 H2 71.6 . . . no
C8 O2 H2 128.9 . . . no
C8 O2 H3 51.8 . . . no
C8 O2 H3 105.6 . . . no
C8 O2 H4 131.0 . . . no
C8 O2 H5 115.8 . . . no
C8 O2 H5 133.4 . . . no
C8 O2 H6 9.7 . . . no
C8 O2 H6 57.9 . . . no
C8 O2 H8 92.6 . . . no
C8 O2 H8 77.8 . . . no
C8 O2 H10 145.3 . . . no
C8 O2 C11 84.6(5) 7_545 7_545 7_545 ?
C8 O2 H1 157.8 7_545 7_545 7_545 no
C8 O2 H1 90.9 7_545 7_545 7_545 no
C8 O2 H2 128.9 7_545 7_545 7_545 no
C8 O2 H2 71.6 7_545 7_545 7_545 no
C8 O2 H3 105.6 7_545 7_545 7_545 no
C8 O2 H3 51.8 7_545 7_545 7_545 no
C8 O2 H4 131.0 7_545 7_545 7_545 no
C8 O2 H5 133.4 7_545 7_545 7_545 no
C8 O2 H5 115.8 7_545 7_545 7_545 no
C8 O2 H6 57.9 7_545 7_545 7_545 no
C8 O2 H6 9.7 7_545 7_545 7_545 no
C8 O2 H8 77.8 7_545 7_545 7_545 no
C8 O2 H8 92.6 7_545 7_545 7_545 no
C8 O2 H10 145.3 7_545 7_545 7_545 no
C11 O2 H1 94.5 3_646 3_646 3_646 no
C11 O2 H1 94.5 3_646 3_646 3_646 no
C11 O2 H2 62.8 3_646 3_646 3_646 no
C11 O2 H2 62.8 3_646 3_646 3_646 no
C11 O2 H3 54.9 3_646 3_646 3_646 no
C11 O2 H3 54.9 3_646 3_646 3_646 no
C11 O2 H4 58.4 3_646 3_646 3_646 no
C11 O2 H5 51.4 3_646 3_646 3_646 no
C11 O2 H5 51.4 3_646 3_646 3_646 no
C11 O2 H6 87.6 3_646 3_646 3_646 no
C11 O2 H6 87.6 3_646 3_646 3_646 no
C11 O2 H8 13.4 3_646 3_646 3_646 no
C11 O2 H8 13.4 3_646 3_646 3_646 no
C11 O2 H10 106.2 3_646 3_646 3_646 no
H1 O2 H1 111.3 . . . no
H1 O2 H2 36.3 . . . no
H1 O2 H2 127.5 . . . no
H1 O2 H3 57.4 . . . no
H1 O2 H3 142.3 . . . no
H1 O2 H4 64.2 . . . no
H1 O2 H5 56.1 . . . no
H1 O2 H5 79.6 . . . no
H1 O2 H6 99.9 . . . no
H1 O2 H6 148.4 . . . no
H1 O2 H8 105.1 . . . no
H1 O2 H8 83.0 . . . no
H1 O2 H10 56.1 . . . no
H1 O2 H2 127.5 1_545 1_545 1_545 no
H1 O2 H2 36.3 1_545 1_545 1_545 no
H1 O2 H3 142.3 1_545 1_545 1_545 no
H1 O2 H3 57.4 1_545 1_545 1_545 no
H1 O2 H4 64.2 1_545 1_545 1_545 no
H1 O2 H5 79.6 1_545 1_545 1_545 no
H1 O2 H5 56.1 1_545 1_545 1_545 no
H1 O2 H6 148.4 1_545 1_545 1_545 no
H1 O2 H6 99.9 1_545 1_545 1_545 no
H1 O2 H8 83.0 1_545 1_545 1_545 no
H1 O2 H8 105.1 1_545 1_545 1_545 no
H1 O2 H10 56.1 1_545 1_545 1_545 no
H2 O2 H2 117.9 . . . no
H2 O2 H3 23.5 . . . no
H2 O2 H3 117.5 . . . no
H2 O2 H4 63.6 . . . no
H2 O2 H5 48.7 . . . no
H2 O2 H5 74.4 . . . no
H2 O2 H6 81.2 . . . no
H2 O2 H6 123.6 . . . no
H2 O2 H8 75.6 . . . no
H2 O2 H8 49.8 . . . no
H2 O2 H10 84.0 . . . no
H2 O2 H3 117.5 1_545 1_545 1_545 no
H2 O2 H3 23.5 1_545 1_545 1_545 no
H2 O2 H4 63.6 1_545 1_545 1_545 no
H2 O2 H5 74.4 1_545 1_545 1_545 no
H2 O2 H5 48.7 1_545 1_545 1_545 no
H2 O2 H6 123.6 1_545 1_545 1_545 no
H2 O2 H6 81.2 1_545 1_545 1_545 no
H2 O2 H8 49.8 1_545 1_545 1_545 no
H2 O2 H8 75.6 1_545 1_545 1_545 no
H2 O2 H10 84.0 1_545 1_545 1_545 no
H3 O2 H3 107.2 . . . no
H3 O2 H4 79.8 . . . no
H3 O2 H5 64.3 . . . no
H3 O2 H5 86.2 . . . no
H3 O2 H6 60.8 . . . no
H3 O2 H6 100.1 . . . no
H3 O2 H8 68.2 . . . no
H3 O2 H8 41.9 . . . no
H3 O2 H10 107.5 . . . no
H3 O2 H4 79.8 7_545 7_545 7_545 no
H3 O2 H5 86.2 7_545 7_545 7_545 no
H3 O2 H5 64.3 7_545 7_545 7_545 no
H3 O2 H6 100.1 7_545 7_545 7_545 no
H3 O2 H6 60.8 7_545 7_545 7_545 no
H3 O2 H8 41.9 7_545 7_545 7_545 no
H3 O2 H8 68.2 7_545 7_545 7_545 no
H3 O2 H10 107.5 7_545 7_545 7_545 no
H4 O2 H5 15.5 4 4 4 no
H4 O2 H5 15.5 4 4 4 no
H4 O2 H6 138.9 4 4 4 no
H4 O2 H6 138.9 4 4 4 no
H4 O2 H8 58.7 4 4 4 no
H4 O2 H8 58.7 4 4 4 no
H4 O2 H10 47.8 4 4 4 no
H5 O2 H5 26.3 4 4 4 no
H5 O2 H6 124.1 4 4 4 no
H5 O2 H6 138.5 4 4 4 no
H5 O2 H8 55.8 4 4 4 no
H5 O2 H8 48.1 4 4 4 no
H5 O2 H10 57.0 4 4 4 no
H5 O2 H6 138.5 6_545 6_545 6_545 no
H5 O2 H6 124.1 6_545 6_545 6_545 no
H5 O2 H8 48.1 6_545 6_545 6_545 no
H5 O2 H8 55.8 6_545 6_545 6_545 no
H5 O2 H10 57.0 6_545 6_545 6_545 no
H6 O2 H6 48.7 . . . no
H6 O2 H8 93.7 . . . no
H6 O2 H8 82.8 . . . no
H6 O2 H10 152.3 . . . no
H6 O2 H8 82.8 7_545 7_545 7_545 no
H6 O2 H8 93.7 7_545 7_545 7_545 no
H6 O2 H10 152.3 7_545 7_545 7_545 no
H8 O2 H8 26.8 3_646 3_646 3_646 no
H8 O2 H10 105.1 3_646 3_646 3_646 no
H8 O2 H10 105.1 5_656 5_656 5_656 no
O1 O3 O1 125.4(2) . . . ?
O1 O3 O2 112.6(8) . . . ?
O1 O3 O4 113.8(4) . . . ?
O1 O3 N1 38.23(13) . . . ?
O1 O3 N1 151.6(2) . . . ?
O1 O3 N2 38.3(2) . . . ?
O1 O3 N2 150.7(2) . . . ?
O1 O3 N3 117.2(7) . . . ?
O1 O3 C1 19.9(2) . . . ?
O1 O3 C1 145.3(3) . . . ?
O1 O3 C2 57.18(9) . . . ?
O1 O3 C2 160.8(2) . . . ?
O1 O3 C2 77.6(7) . . . ?
O1 O3 C3 63.9(2) . . . ?
O1 O3 C3 170.6(2) . . . ?
O1 O3 C3 86.7(5) . . . ?
O1 O3 C4 57.28(13) . . . ?
O1 O3 C4 163.0(2) . . . ?
O1 O3 C6 69.5(8) . . . ?
O1 O3 C7 41.36(8) . . . ?
O1 O3 C7 131.7(2) . . . ?
O1 O3 C8 54.6(1) . . . ?
O1 O3 C8 113.8(3) . . . ?
O1 O3 C11 63.9(6) . . . ?
O1 O3 H1 92.0 . . . no
O1 O3 H4 67.2 . . . no
O1 O3 H5 84.2 . . . no
O1 O3 H5 52.6 . . . no
O1 O3 H6 63.6 . . . no
O1 O3 H6 107.2 . . . no
O1 O3 H9 65.4 . . . no
O1 O3 H10 39.8 . . . no
O1 O3 H10 116.5 . . . no
O1 O3 H10 136.7 . . . no
O1 O3 O2 112.6(8) 1_545 1_545 1_545 ?
O1 O3 O4 113.8(4) 1_545 1_545 1_545 ?
O1 O3 N1 151.6(2) 1_545 1_545 1_545 ?
O1 O3 N1 38.23(13) 1_545 1_545 1_545 ?
O1 O3 N2 150.7(2) 1_545 1_545 1_545 ?
O1 O3 N2 38.3(2) 1_545 1_545 1_545 ?
O1 O3 N3 117.2(7) 1_545 1_545 1_545 ?
O1 O3 C1 145.3(3) 1_545 1_545 1_545 ?
O1 O3 C1 19.9(2) 1_545 1_545 1_545 ?
O1 O3 C2 160.8(2) 1_545 1_545 1_545 ?
O1 O3 C2 57.18(9) 1_545 1_545 1_545 ?
O1 O3 C2 77.6(7) 1_545 1_545 1_545 ?
O1 O3 C3 170.6(2) 1_545 1_545 1_545 ?
O1 O3 C3 63.9(2) 1_545 1_545 1_545 ?
O1 O3 C3 86.7(5) 1_545 1_545 1_545 ?
O1 O3 C4 163.0(2) 1_545 1_545 1_545 ?
O1 O3 C4 57.28(13) 1_545 1_545 1_545 ?
O1 O3 C6 69.5(8) 1_545 1_545 1_545 ?
O1 O3 C7 131.7(2) 1_545 1_545 1_545 ?
O1 O3 C7 41.36(8) 1_545 1_545 1_545 ?
O1 O3 C8 113.8(3) 1_545 1_545 1_545 ?
O1 O3 C8 54.6(1) 1_545 1_545 1_545 ?
O1 O3 C11 63.9(6) 1_545 1_545 1_545 ?
O1 O3 H1 92.0 1_545 1_545 1_545 no
O1 O3 H4 67.2 1_545 1_545 1_545 no
O1 O3 H5 52.6 1_545 1_545 1_545 no
O1 O3 H5 84.2 1_545 1_545 1_545 no
O1 O3 H6 107.2 1_545 1_545 1_545 no
O1 O3 H6 63.6 1_545 1_545 1_545 no
O1 O3 H9 65.4 1_545 1_545 1_545 no
O1 O3 H10 136.7 1_545 1_545 1_545 no
O1 O3 H10 116.5 1_545 1_545 1_545 no
O1 O3 H10 39.8 1_545 1_545 1_545 no
O2 O3 O4 61.4(2) . . . ?
O2 O3 N1 74.4(9) . . . ?
O2 O3 N1 74.4(9) . . . ?
O2 O3 N2 96.4(9) . . . ?
O2 O3 N2 96.4(9) . . . ?
O2 O3 N3 30.0(3) . . . ?
O2 O3 C1 96.5(10) . . . ?
O2 O3 C1 96.5(10) . . . ?
O2 O3 C2 79.1(8) . . . ?
O2 O3 C2 79.1(8) . . . ?
O2 O3 C2 151.0(2) . . . ?
O2 O3 C3 60.8(7) . . . ?
O2 O3 C3 60.8(7) . . . ?
O2 O3 C3 130.3(2) . . . ?
O2 O3 C4 57.4(7) . . . ?
O2 O3 C4 57.4(7) . . . ?
O2 O3 C6 172.8(2) . . . ?
O2 O3 C7 75.6(8) . . . ?
O2 O3 C7 75.6(8) . . . ?
O2 O3 C8 73.7(6) . . . ?
O2 O3 C8 73.7(6) . . . ?
O2 O3 C11 130.3(2) . . . ?
O2 O3 H1 118.7 . . . no
O2 O3 H4 179.3 . . . no
O2 O3 H5 163.2 . . . no
O2 O3 H5 163.2 . . . no
O2 O3 H6 69.4 . . . no
O2 O3 H6 69.4 . . . no
O2 O3 H9 122.3 . . . no
O2 O3 H10 109.3 . . . no
O2 O3 H10 46.6 . . . no
O2 O3 H10 109.3 . . . no
O4 O3 N1 93.9(6) . . . ?
O4 O3 N1 93.9(6) . . . ?
O4 O3 N2 75.6(6) . . . ?
O4 O3 N2 75.6(6) . . . ?
O4 O3 N3 31.4(3) . . . ?
O4 O3 C1 96.3(6) . . . ?
O4 O3 C1 96.3(6) . . . ?
O4 O3 C2 57.2(5) . . . ?
O4 O3 C2 57.2(5) . . . ?
O4 O3 C2 89.7(2) . . . ?
O4 O3 C3 57.6(3) . . . ?
O4 O3 C3 57.6(3) . . . ?
O4 O3 C3 68.9(2) . . . ?
O4 O3 C4 74.9(4) . . . ?
O4 O3 C4 74.9(4) . . . ?
O4 O3 C6 111.4(2) . . . ?
O4 O3 C7 111.4(6) . . . ?
O4 O3 C7 111.4(6) . . . ?
O4 O3 C8 123.6(5) . . . ?
O4 O3 C8 123.6(5) . . . ?
O4 O3 C11 168.3(2) . . . ?
O4 O3 H1 57.4 . . . no
O4 O3 H4 119.3 . . . no
O4 O3 H5 114.4 . . . no
O4 O3 H5 114.4 . . . no
O4 O3 H6 124.6 . . . no
O4 O3 H6 124.6 . . . no
O4 O3 H9 176.3 . . . no
O4 O3 H10 77.5 . . . no
O4 O3 H10 14.8 . . . no
O4 O3 H10 77.5 . . . no
N1 O3 N1 139.1(2) . . . ?
N1 O3 N2 39.95(10) . . . ?
N1 O3 N2 168.6(2) . . . ?
N1 O3 N3 83.1(9) . . . ?
N1 O3 C1 24.07(12) . . . ?
N1 O3 C1 160.9(2) . . . ?
N1 O3 C2 44.0(2) . . . ?
N1 O3 C2 148.0(2) . . . ?
N1 O3 C2 110.1(7) . . . ?
N1 O3 C3 36.3(3) . . . ?
N1 O3 C3 134.2(3) . . . ?
N1 O3 C3 110.1(5) . . . ?
N1 O3 C4 21.0(2) . . . ?
N1 O3 C4 130.1(3) . . . ?
N1 O3 C6 107.1(9) . . . ?
N1 O3 C7 20.57(9) . . . ?
N1 O3 C7 123.8(1) . . . ?
N1 O3 C8 39.70(12) . . . ?
N1 O3 C8 105.5(2) . . . ?
N1 O3 C11 90.2(7) . . . ?
N1 O3 H1 109.0 . . . no
N1 O3 H4 105.4 . . . no
N1 O3 H5 122.4 . . . no
N1 O3 H5 90.1 . . . no
N1 O3 H6 47.8 . . . no
N1 O3 H6 96.2 . . . no
N1 O3 H9 87.4 . . . no
N1 O3 H10 52.8 . . . no
N1 O3 H10 88.7 . . . no
N1 O3 H10 166.6 . . . no
N1 O3 N2 168.6(2) 1_545 1_545 1_545 ?
N1 O3 N2 39.95(10) 1_545 1_545 1_545 ?
N1 O3 N3 83.1(9) 1_545 1_545 1_545 ?
N1 O3 C1 160.9(2) 1_545 1_545 1_545 ?
N1 O3 C1 24.07(12) 1_545 1_545 1_545 ?
N1 O3 C2 148.0(2) 1_545 1_545 1_545 ?
N1 O3 C2 44.0(2) 1_545 1_545 1_545 ?
N1 O3 C2 110.1(7) 1_545 1_545 1_545 ?
N1 O3 C3 134.2(3) 1_545 1_545 1_545 ?
N1 O3 C3 36.3(3) 1_545 1_545 1_545 ?
N1 O3 C3 110.1(5) 1_545 1_545 1_545 ?
N1 O3 C4 130.1(3) 1_545 1_545 1_545 ?
N1 O3 C4 21.0(2) 1_545 1_545 1_545 ?
N1 O3 C6 107.1(9) 1_545 1_545 1_545 ?
N1 O3 C7 123.8(1) 1_545 1_545 1_545 ?
N1 O3 C7 20.57(9) 1_545 1_545 1_545 ?
N1 O3 C8 105.5(2) 1_545 1_545 1_545 ?
N1 O3 C8 39.70(12) 1_545 1_545 1_545 ?
N1 O3 C11 90.2(7) 1_545 1_545 1_545 ?
N1 O3 H1 109.0 1_545 1_545 1_545 no
N1 O3 H4 105.4 1_545 1_545 1_545 no
N1 O3 H5 90.1 1_545 1_545 1_545 no
N1 O3 H5 122.4 1_545 1_545 1_545 no
N1 O3 H6 96.2 1_545 1_545 1_545 no
N1 O3 H6 47.8 1_545 1_545 1_545 no
N1 O3 H9 87.4 1_545 1_545 1_545 no
N1 O3 H10 166.6 1_545 1_545 1_545 no
N1 O3 H10 88.7 1_545 1_545 1_545 no
N1 O3 H10 52.8 1_545 1_545 1_545 no
N2 O3 N2 137.6(2) . . . ?
N2 O3 N3 85.6(9) . . . ?
N2 O3 C1 23.82(10) . . . ?
N2 O3 C1 159.0(2) . . . ?
N2 O3 C2 20.6(2) . . . ?
N2 O3 C2 128.5(2) . . . ?
N2 O3 C2 74.7(8) . . . ?
N2 O3 C3 35.7(3) . . . ?
N2 O3 C3 133.1(3) . . . ?
N2 O3 C3 70.5(5) . . . ?
N2 O3 C4 43.5(3) . . . ?
N2 O3 C4 147.6(3) . . . ?
N2 O3 C6 81.2(9) . . . ?
N2 O3 C7 58.32(11) . . . ?
N2 O3 C7 163.8(2) . . . ?
N2 O3 C8 77.6(2) . . . ?
N2 O3 C8 144.8(2) . . . ?
N2 O3 C11 101.0(7) . . . ?
N2 O3 H1 69.2 . . . no
N2 O3 H4 83.9 . . . no
N2 O3 H5 98.1 . . . no
N2 O3 H5 67.1 . . . no
N2 O3 H6 86.5 . . . no
N2 O3 H6 135.7 . . . no
N2 O3 H9 103.4 . . . no
N2 O3 H10 14.4 . . . no
N2 O3 H10 80.0 . . . no
N2 O3 H10 126.9 . . . no
N2 O3 N3 85.6(9) 1_545 1_545 1_545 ?
N2 O3 C1 159.0(2) 1_545 1_545 1_545 ?
N2 O3 C1 23.82(10) 1_545 1_545 1_545 ?
N2 O3 C2 128.5(2) 1_545 1_545 1_545 ?
N2 O3 C2 20.6(2) 1_545 1_545 1_545 ?
N2 O3 C2 74.7(8) 1_545 1_545 1_545 ?
N2 O3 C3 133.1(3) 1_545 1_545 1_545 ?
N2 O3 C3 35.7(3) 1_545 1_545 1_545 ?
N2 O3 C3 70.5(5) 1_545 1_545 1_545 ?
N2 O3 C4 147.6(3) 1_545 1_545 1_545 ?
N2 O3 C4 43.5(3) 1_545 1_545 1_545 ?
N2 O3 C6 81.2(9) 1_545 1_545 1_545 ?
N2 O3 C7 163.8(2) 1_545 1_545 1_545 ?
N2 O3 C7 58.32(11) 1_545 1_545 1_545 ?
N2 O3 C8 144.8(2) 1_545 1_545 1_545 ?
N2 O3 C8 77.6(2) 1_545 1_545 1_545 ?
N2 O3 C11 101.0(7) 1_545 1_545 1_545 ?
N2 O3 H1 69.2 1_545 1_545 1_545 no
N2 O3 H4 83.9 1_545 1_545 1_545 no
N2 O3 H5 67.1 1_545 1_545 1_545 no
N2 O3 H5 98.1 1_545 1_545 1_545 no
N2 O3 H6 135.7 1_545 1_545 1_545 no
N2 O3 H6 86.5 1_545 1_545 1_545 no
N2 O3 H9 103.4 1_545 1_545 1_545 no
N2 O3 H10 126.9 1_545 1_545 1_545 no
N2 O3 H10 80.0 1_545 1_545 1_545 no
N2 O3 H10 14.4 1_545 1_545 1_545 no
N3 O3 C1 97.5(9) . . . ?
N3 O3 C1 97.5(9) . . . ?
N3 O3 C2 65.1(8) . . . ?
N3 O3 C2 65.1(8) . . . ?
N3 O3 C2 121.1(3) . . . ?
N3 O3 C3 53.5(6) . . . ?
N3 O3 C3 53.5(6) . . . ?
N3 O3 C3 100.3(3) . . . ?
N3 O3 C4 62.1(7) . . . ?
N3 O3 C4 62.1(7) . . . ?
N3 O3 C6 142.8(3) . . . ?
N3 O3 C7 93.5(8) . . . ?
N3 O3 C7 93.5(8) . . . ?
N3 O3 C8 98.5(6) . . . ?
N3 O3 C8 98.5(6) . . . ?
N3 O3 C11 160.3(4) . . . ?
N3 O3 H1 88.8 . . . no
N3 O3 H4 150.7 . . . no
N3 O3 H5 143.4 . . . no
N3 O3 H5 143.4 . . . no
N3 O3 H6 96.5 . . . no
N3 O3 H6 96.5 . . . no
N3 O3 H9 152.3 . . . no
N3 O3 H10 94.2 . . . no
N3 O3 H10 16.6 . . . no
N3 O3 H10 94.2 . . . no
C1 O3 C1 165.1(2) . . . ?
C1 O3 C2 39.2(2) . . . ?
C1 O3 C2 152.1(2) . . . ?
C1 O3 C2 86.1(8) . . . ?
C1 O3 C3 44.1(3) . . . ?
C1 O3 C3 150.8(3) . . . ?
C1 O3 C3 88.6(5) . . . ?
C1 O3 C4 39.3(3) . . . ?
C1 O3 C4 153.6(3) . . . ?
C1 O3 C6 84.0(10) . . . ?
C1 O3 C7 37.1(1) . . . ?
C1 O3 C7 141.5(2) . . . ?
C1 O3 C8 55.4(2) . . . ?
C1 O3 C8 122.0(2) . . . ?
C1 O3 C11 83.0(8) . . . ?
C1 O3 H1 90.1 . . . no
C1 O3 H4 83.5 . . . no
C1 O3 H5 100.2 . . . no
C1 O3 H5 67.2 . . . no
C1 O3 H6 64.7 . . . no
C1 O3 H6 113.5 . . . no
C1 O3 H9 83.4 . . . no
C1 O3 H10 32.4 . . . no
C1 O3 H10 97.1 . . . no
C1 O3 H10 145.6 . . . no
C1 O3 C2 152.1(2) 1_545 1_545 1_545 ?
C1 O3 C2 39.2(2) 1_545 1_545 1_545 ?
C1 O3 C2 86.1(8) 1_545 1_545 1_545 ?
C1 O3 C3 150.8(3) 1_545 1_545 1_545 ?
C1 O3 C3 44.1(3) 1_545 1_545 1_545 ?
C1 O3 C3 88.6(5) 1_545 1_545 1_545 ?
C1 O3 C4 153.6(3) 1_545 1_545 1_545 ?
C1 O3 C4 39.3(3) 1_545 1_545 1_545 ?
C1 O3 C6 84.0(10) 1_545 1_545 1_545 ?
C1 O3 C7 141.5(2) 1_545 1_545 1_545 ?
C1 O3 C7 37.1(1) 1_545 1_545 1_545 ?
C1 O3 C8 122.0(2) 1_545 1_545 1_545 ?
C1 O3 C8 55.4(2) 1_545 1_545 1_545 ?
C1 O3 C11 83.0(8) 1_545 1_545 1_545 ?
C1 O3 H1 90.1 1_545 1_545 1_545 no
C1 O3 H4 83.5 1_545 1_545 1_545 no
C1 O3 H5 67.2 1_545 1_545 1_545 no
C1 O3 H5 100.2 1_545 1_545 1_545 no
C1 O3 H6 113.5 1_545 1_545 1_545 no
C1 O3 H6 64.7 1_545 1_545 1_545 no
C1 O3 H9 83.4 1_545 1_545 1_545 no
C1 O3 H10 145.6 1_545 1_545 1_545 no
C1 O3 H10 97.1 1_545 1_545 1_545 no
C1 O3 H10 32.4 1_545 1_545 1_545 no
C2 O3 C2 113.5(2) . . . ?
C2 O3 C2 85.2(7) . . . ?
C2 O3 C3 20.0(2) . . . ?
C2 O3 C3 113.7(2) . . . ?
C2 O3 C3 74.3(5) . . . ?
C2 O3 C4 36.2(2) . . . ?
C2 O3 C4 127.0(2) . . . ?
C2 O3 C6 97.0(8) . . . ?
C2 O3 C7 64.6(2) . . . ?
C2 O3 C7 154.6(2) . . . ?
C2 O3 C8 83.5(3) . . . ?
C2 O3 C8 144.4(2) . . . ?
C2 O3 C11 121.0(6) . . . ?
C2 O3 H1 68.9 . . . no
C2 O3 H4 101.3 . . . no
C2 O3 H5 113.1 . . . no
C2 O3 H5 85.2 . . . no
C2 O3 H6 91.0 . . . no
C2 O3 H6 135.5 . . . no
C2 O3 H9 122.4 . . . no
C2 O3 H10 30.5 . . . no
C2 O3 H10 59.8 . . . no
C2 O3 H10 123.1 . . . no
C2 O3 C2 85.2(7) 1_545 1_545 1_545 ?
C2 O3 C3 113.7(2) 1_545 1_545 1_545 ?
C2 O3 C3 20.0(2) 1_545 1_545 1_545 ?
C2 O3 C3 74.3(5) 1_545 1_545 1_545 ?
C2 O3 C4 127.0(2) 1_545 1_545 1_545 ?
C2 O3 C4 36.2(2) 1_545 1_545 1_545 ?
C2 O3 C6 97.0(8) 1_545 1_545 1_545 ?
C2 O3 C7 154.6(2) 1_545 1_545 1_545 ?
C2 O3 C7 64.6(2) 1_545 1_545 1_545 ?
C2 O3 C8 144.4(2) 1_545 1_545 1_545 ?
C2 O3 C8 83.5(3) 1_545 1_545 1_545 ?
C2 O3 C11 121.0(6) 1_545 1_545 1_545 ?
C2 O3 H1 68.9 1_545 1_545 1_545 no
C2 O3 H4 101.3 1_545 1_545 1_545 no
C2 O3 H5 85.2 1_545 1_545 1_545 no
C2 O3 H5 113.1 1_545 1_545 1_545 no
C2 O3 H6 135.5 1_545 1_545 1_545 no
C2 O3 H6 91.0 1_545 1_545 1_545 no
C2 O3 H9 122.4 1_545 1_545 1_545 no
C2 O3 H10 123.1 1_545 1_545 1_545 no
C2 O3 H10 59.8 1_545 1_545 1_545 no
C2 O3 H10 30.5 1_545 1_545 1_545 no
C2 O3 C3 105.1(6) 4_554 4_554 4_554 ?
C2 O3 C3 105.1(6) 4_554 4_554 4_554 ?
C2 O3 C3 20.75(10) 4_554 4_554 4_554 ?
C2 O3 C4 118.1(5) 4_554 4_554 4_554 ?
C2 O3 C4 118.1(5) 4_554 4_554 4_554 ?
C2 O3 C6 21.74(12) 4_554 4_554 4_554 ?
C2 O3 C7 118.9(7) 4_554 4_554 4_554 ?
C2 O3 C7 118.9(7) 4_554 4_554 4_554 ?
C2 O3 C8 128.7(5) 4_554 4_554 4_554 ?
C2 O3 C8 128.7(5) 4_554 4_554 4_554 ?
C2 O3 C11 78.6(1) 4_554 4_554 4_554 ?
C2 O3 H1 32.3 4_554 4_554 4_554 no
C2 O3 H4 29.7 4_554 4_554 4_554 no
C2 O3 H5 30.4 4_554 4_554 4_554 no
C2 O3 H5 30.4 4_554 4_554 4_554 no
C2 O3 H6 135.5 4_554 4_554 4_554 no
C2 O3 H6 135.5 4_554 4_554 4_554 no
C2 O3 H9 86.6 4_554 4_554 4_554 no
C2 O3 H10 60.3 4_554 4_554 4_554 no
C2 O3 H10 104.5 4_554 4_554 4_554 no
C2 O3 H10 60.3 4_554 4_554 4_554 no
C3 O3 C3 106.7(2) . . . ?
C3 O3 C3 93.1(4) . . . ?
C3 O3 C4 20.0(2) . . . ?
C3 O3 C4 114.3(1) . . . ?
C3 O3 C6 116.2(7) . . . ?
C3 O3 C7 55.2(3) . . . ?
C3 O3 C7 135.0(2) . . . ?
C3 O3 C8 71.8(3) . . . ?
C3 O3 C8 125.2(2) . . . ?
C3 O3 C11 125.3(4) . . . ?
C3 O3 H1 86.2 . . . no
C3 O3 H4 119.5 . . . no
C3 O3 H5 132.7 . . . no
C3 O3 H5 102.8 . . . no
C3 O3 H6 77.4 . . . no
C3 O3 H6 116.8 . . . no
C3 O3 H9 123.5 . . . no
C3 O3 H10 48.6 . . . no
C3 O3 H10 54.2 . . . no
C3 O3 H10 133.6 . . . no
C3 O3 C3 93.1(4) 1_545 1_545 1_545 ?
C3 O3 C4 114.3(1) 1_545 1_545 1_545 ?
C3 O3 C4 20.0(2) 1_545 1_545 1_545 ?
C3 O3 C6 116.2(7) 1_545 1_545 1_545 ?
C3 O3 C7 135.0(2) 1_545 1_545 1_545 ?
C3 O3 C7 55.2(3) 1_545 1_545 1_545 ?
C3 O3 C8 125.2(2) 1_545 1_545 1_545 ?
C3 O3 C8 71.8(3) 1_545 1_545 1_545 ?
C3 O3 C11 125.3(4) 1_545 1_545 1_545 ?
C3 O3 H1 86.2 1_545 1_545 1_545 no
C3 O3 H4 119.5 1_545 1_545 1_545 no
C3 O3 H5 102.8 1_545 1_545 1_545 no
C3 O3 H5 132.7 1_545 1_545 1_545 no
C3 O3 H6 116.8 1_545 1_545 1_545 no
C3 O3 H6 77.4 1_545 1_545 1_545 no
C3 O3 H9 123.5 1_545 1_545 1_545 no
C3 O3 H10 133.6 1_545 1_545 1_545 no
C3 O3 H10 54.2 1_545 1_545 1_545 no
C3 O3 H10 48.6 1_545 1_545 1_545 no
C3 O3 C4 110.3(3) 4_554 4_554 4_554 ?
C3 O3 C4 110.3(3) 4_554 4_554 4_554 ?
C3 O3 C6 42.48(13) 4_554 4_554 4_554 ?
C3 O3 C7 125.5(4) 4_554 4_554 4_554 ?
C3 O3 C7 125.5(4) 4_554 4_554 4_554 ?
C3 O3 C8 141.2(4) 4_554 4_554 4_554 ?
C3 O3 C8 141.2(4) 4_554 4_554 4_554 ?
C3 O3 C11 99.4(2) 4_554 4_554 4_554 ?
C3 O3 H1 11.6 4_554 4_554 4_554 no
C3 O3 H4 50.4 4_554 4_554 4_554 no
C3 O3 H5 48.8 4_554 4_554 4_554 no
C3 O3 H5 48.8 4_554 4_554 4_554 no
C3 O3 H6 150.1 4_554 4_554 4_554 no
C3 O3 H6 150.1 4_554 4_554 4_554 no
C3 O3 H9 107.4 4_554 4_554 4_554 no
C3 O3 H10 57.4 4_554 4_554 4_554 no
C3 O3 H10 83.7 4_554 4_554 4_554 no
C3 O3 H10 57.4 4_554 4_554 4_554 no
C4 O3 C4 114.7(2) . . . ?
C4 O3 C6 122.3(7) . . . ?
C4 O3 C7 36.5(2) . . . ?
C4 O3 C7 122.6(2) . . . ?
C4 O3 C8 52.0(2) . . . ?
C4 O3 C8 108.4(2) . . . ?
C4 O3 C11 110.5(5) . . . ?
C4 O3 H1 104.9 . . . no
C4 O3 H4 122.6 . . . no
C4 O3 H5 139.1 . . . no
C4 O3 H5 106.1 . . . no
C4 O3 H6 57.4 . . . no
C4 O3 H6 99.4 . . . no
C4 O3 H9 106.9 . . . no
C4 O3 H10 57.9 . . . no
C4 O3 H10 68.1 . . . no
C4 O3 H10 152.4 . . . no
C4 O3 C6 122.3(7) 1_545 1_545 1_545 ?
C4 O3 C7 122.6(2) 1_545 1_545 1_545 ?
C4 O3 C7 36.5(2) 1_545 1_545 1_545 ?
C4 O3 C8 108.4(2) 1_545 1_545 1_545 ?
C4 O3 C8 52.0(2) 1_545 1_545 1_545 ?
C4 O3 C11 110.5(5) 1_545 1_545 1_545 ?
C4 O3 H1 104.9 1_545 1_545 1_545 no
C4 O3 H4 122.6 1_545 1_545 1_545 no
C4 O3 H5 106.1 1_545 1_545 1_545 no
C4 O3 H5 139.1 1_545 1_545 1_545 no
C4 O3 H6 99.4 1_545 1_545 1_545 no
C4 O3 H6 57.4 1_545 1_545 1_545 no
C4 O3 H9 106.9 1_545 1_545 1_545 no
C4 O3 H10 152.4 1_545 1_545 1_545 no
C4 O3 H10 68.1 1_545 1_545 1_545 no
C4 O3 H10 57.9 1_545 1_545 1_545 no
C6 O3 C7 108.4(8) 4_554 4_554 4_554 ?
C6 O3 C7 108.4(8) 4_554 4_554 4_554 ?
C6 O3 C8 112.2(6) 4_554 4_554 4_554 ?
C6 O3 C8 112.2(6) 4_554 4_554 4_554 ?
C6 O3 C11 56.9(1) 4_554 4_554 4_554 ?
C6 O3 H1 54.1 4_554 4_554 4_554 no
C6 O3 H4 7.9 4_554 4_554 4_554 no
C6 O3 H5 17.0 4_554 4_554 4_554 no
C6 O3 H5 17.0 4_554 4_554 4_554 no
C6 O3 H6 117.0 4_554 4_554 4_554 no
C6 O3 H6 117.0 4_554 4_554 4_554 no
C6 O3 H9 64.9 4_554 4_554 4_554 no
C6 O3 H10 67.6 4_554 4_554 4_554 no
C6 O3 H10 126.2 4_554 4_554 4_554 no
C6 O3 H10 67.6 4_554 4_554 4_554 no
C7 O3 C7 105.6(1) . . . ?
C7 O3 C8 19.47(9) . . . ?
C7 O3 C8 86.51(13) . . . ?
C7 O3 C11 75.0(7) . . . ?
C7 O3 H1 127.1 . . . no
C7 O3 H4 104.0 . . . no
C7 O3 H5 119.5 . . . no
C7 O3 H5 92.3 . . . no
C7 O3 H6 28.2 . . . no
C7 O3 H6 77.4 . . . no
C7 O3 H9 70.5 . . . no
C7 O3 H10 69.3 . . . no
C7 O3 H10 103.3 . . . no
C7 O3 H10 171.1 . . . no
C7 O3 C8 86.51(13) 1_545 1_545 1_545 ?
C7 O3 C8 19.47(9) 1_545 1_545 1_545 ?
C7 O3 C11 75.0(7) 1_545 1_545 1_545 ?
C7 O3 H1 127.1 1_545 1_545 1_545 no
C7 O3 H4 104.0 1_545 1_545 1_545 no
C7 O3 H5 92.3 1_545 1_545 1_545 no
C7 O3 H5 119.5 1_545 1_545 1_545 no
C7 O3 H6 77.4 1_545 1_545 1_545 no
C7 O3 H6 28.2 1_545 1_545 1_545 no
C7 O3 H9 70.5 1_545 1_545 1_545 no
C7 O3 H10 171.1 1_545 1_545 1_545 no
C7 O3 H10 103.3 1_545 1_545 1_545 no
C7 O3 H10 69.3 1_545 1_545 1_545 no
C8 O3 C8 67.2(2) . . . ?
C8 O3 C11 65.5(5) . . . ?
C8 O3 H1 145.4 . . . no
C8 O3 H4 105.8 . . . no
C8 O3 H5 117.9 . . . no
C8 O3 H5 98.8 . . . no
C8 O3 H6 9.4 . . . no
C8 O3 H6 58.3 . . . no
C8 O3 H9 59.2 . . . no
C8 O3 H10 87.8 . . . no
C8 O3 H10 112.1 . . . no
C8 O3 H10 153.3 . . . no
C8 O3 C11 65.5(5) 7_545 7_545 7_545 ?
C8 O3 H1 145.4 7_545 7_545 7_545 no
C8 O3 H4 105.8 7_545 7_545 7_545 no
C8 O3 H5 98.8 7_545 7_545 7_545 no
C8 O3 H5 117.9 7_545 7_545 7_545 no
C8 O3 H6 58.3 7_545 7_545 7_545 no
C8 O3 H6 9.4 7_545 7_545 7_545 no
C8 O3 H9 59.2 7_545 7_545 7_545 no
C8 O3 H10 153.3 7_545 7_545 7_545 no
C8 O3 H10 112.1 7_545 7_545 7_545 no
C8 O3 H10 87.8 7_545 7_545 7_545 no
C11 O3 H1 111.0 3_645 3_645 3_645 no
C11 O3 H4 49.0 3_645 3_645 3_645 no
C11 O3 H5 54.6 3_645 3_645 3_645 no
C11 O3 H5 54.6 3_645 3_645 3_645 no
C11 O3 H6 65.7 3_645 3_645 3_645 no
C11 O3 H6 65.7 3_645 3_645 3_645 no
C11 O3 H9 8.0 3_645 3_645 3_645 no
C11 O3 H10 96.4 3_645 3_645 3_645 no
C11 O3 H10 176.9 3_645 3_645 3_645 no
C11 O3 H10 96.4 3_645 3_645 3_645 no
H1 O3 H4 62.0 4_554 4_554 4_554 no
H1 O3 H5 59.6 4_554 4_554 4_554 no
H1 O3 H5 59.6 4_554 4_554 4_554 no
H1 O3 H6 154.7 4_554 4_554 4_554 no
H1 O3 H6 154.7 4_554 4_554 4_554 no
H1 O3 H9 119.0 4_554 4_554 4_554 no
H1 O3 H10 57.8 4_554 4_554 4_554 no
H1 O3 H10 72.1 4_554 4_554 4_554 no
H1 O3 H10 57.8 4_554 4_554 4_554 no
H4 O3 H5 17.0 4_554 4_554 4_554 no
H4 O3 H5 17.0 4_554 4_554 4_554 no
H4 O3 H6 109.9 4_554 4_554 4_554 no
H4 O3 H6 109.9 4_554 4_554 4_554 no
H4 O3 H9 57.0 4_554 4_554 4_554 no
H4 O3 H10 71.0 4_554 4_554 4_554 no
H4 O3 H10 134.1 4_554 4_554 4_554 no
H4 O3 H10 71.0 4_554 4_554 4_554 no
H5 O3 H5 33.1 6_544 6_544 6_544 no
H5 O3 H6 119.9 6_544 6_544 6_544 no
H5 O3 H6 105.2 6_544 6_544 6_544 no
H5 O3 H9 62.1 6_544 6_544 6_544 no
H5 O3 H10 84.3 6_544 6_544 6_544 no
H5 O3 H10 128.3 6_544 6_544 6_544 no
H5 O3 H10 54.7 6_544 6_544 6_544 no
H5 O3 H6 105.2 4_554 4_554 4_554 no
H5 O3 H6 119.9 4_554 4_554 4_554 no
H5 O3 H9 62.1 4_554 4_554 4_554 no
H5 O3 H10 54.7 4_554 4_554 4_554 no
H5 O3 H10 128.3 4_554 4_554 4_554 no
H5 O3 H10 84.3 4_554 4_554 4_554 no
H6 O3 H6 49.2 . . . no
H6 O3 H9 58.6 . . . no
H6 O3 H10 97.1 . . . no
H6 O3 H10 111.5 . . . no
H6 O3 H10 145.6 . . . no
H6 O3 H9 58.6 7_545 7_545 7_545 no
H6 O3 H10 145.6 7_545 7_545 7_545 no
H6 O3 H10 111.5 7_545 7_545 7_545 no
H6 O3 H10 97.1 7_545 7_545 7_545 no
H9 O3 H10 100.6 3_645 3_645 3_645 no
H9 O3 H10 168.9 3_645 3_645 3_645 no
H9 O3 H10 100.6 3_645 3_645 3_645 no
H10 O3 H10 85.2 . . . no
H10 O3 H10 114.7 . . . no
H10 O3 H10 85.2 4 4 4 no
O1 O4 O2 136.3(2) 4 4 4 ?
O1 O4 O3 164.6(2) 4 4 4 ?
O1 O4 N2 106.2(3) 4 4 4 ?
O1 O4 N2 42.15(11) 4 4 4 ?
O1 O4 N2 106.2(3) 4 4 4 ?
O1 O4 N3 165.8(3) 4 4 4 ?
O1 O4 C1 20.30(9) 4 4 4 ?
O1 O4 C2 89.5(4) 4 4 4 ?
O1 O4 C2 58.57(10) 4 4 4 ?
O1 O4 C2 89.5(4) 4 4 4 ?
O1 O4 C3 94.7(4) 4 4 4 ?
O1 O4 C3 94.7(4) 4 4 4 ?
O1 O4 C3 88.01(13) 4 4 4 ?
O1 O4 C4 114.3(4) 4 4 4 ?
O1 O4 C4 114.3(4) 4 4 4 ?
O1 O4 C6 67.1(4) 4 4 4 ?
O1 O4 C6 80.73(13) 4 4 4 ?
O1 O4 C6 67.1(4) 4 4 4 ?
O1 O4 H1 80.6 4 4 4 no
O1 O4 H1 80.6 4 4 4 no
O1 O4 H1 90.7 4 4 4 no
O1 O4 H2 45.4 4 4 4 no
O1 O4 H4 69.8 4 4 4 no
O1 O4 H4 90.2 4 4 4 no
O1 O4 H4 69.8 4 4 4 no
O1 O4 H5 53.5 4 4 4 no
O1 O4 H5 53.5 4 4 4 no
O1 O4 H10 101.2 4 4 4 no
O1 O4 H10 46.9 4 4 4 no
O1 O4 H10 101.2 4 4 4 no
O2 O4 O3 59.1(2) . . . ?
O2 O4 N2 91.9(3) . . . ?
O2 O4 N2 94.2(2) . . . ?
O2 O4 N2 91.9(3) . . . ?
O2 O4 N3 29.4(3) . . . ?
O2 O4 C1 116.0(2) . . . ?
O2 O4 C2 94.2(4) . . . ?
O2 O4 C2 77.8(2) . . . ?
O2 O4 C2 94.2(4) . . . ?
O2 O4 C3 74.5(3) . . . ?
O2 O4 C3 74.5(3) . . . ?
O2 O4 C3 135.7(2) . . . ?
O2 O4 C4 56.4(3) . . . ?
O2 O4 C4 56.4(3) . . . ?
O2 O4 C6 116.6(4) . . . ?
O2 O4 C6 55.6(2) . . . ?
O2 O4 C6 116.6(4) . . . ?
O2 O4 H1 78.2 . . . no
O2 O4 H1 78.2 . . . no
O2 O4 H1 133.0 . . . no
O2 O4 H2 178.3 . . . no
O2 O4 H4 124.8 . . . no
O2 O4 H4 46.2 . . . no
O2 O4 H4 124.8 . . . no
O2 O4 H5 124.8 . . . no
O2 O4 H5 124.8 . . . no
O2 O4 H10 103.8 . . . no
O2 O4 H10 89.5 . . . no
O2 O4 H10 103.8 . . . no
O3 O4 N2 69.0(5) . . . ?
O3 O4 N2 153.3(2) . . . ?
O3 O4 N2 69.0(5) . . . ?
O3 O4 N3 29.6(3) . . . ?
O3 O4 C1 175.1(2) . . . ?
O3 O4 C2 89.0(6) . . . ?
O3 O4 C2 136.8(2) . . . ?
O3 O4 C2 89.0(6) . . . ?
O3 O4 C3 90.0(6) . . . ?
O3 O4 C3 90.0(6) . . . ?
O3 O4 C3 76.6(2) . . . ?
O3 O4 C4 72.7(6) . . . ?
O3 O4 C4 72.7(6) . . . ?
O3 O4 C6 108.1(6) . . . ?
O3 O4 C6 114.7(2) . . . ?
O3 O4 C6 108.1(6) . . . ?
O3 O4 H1 106.4 . . . no
O3 O4 H1 106.4 . . . no
O3 O4 H1 73.9 . . . no
O3 O4 H2 119.2 . . . no
O3 O4 H4 102.1 . . . no
O3 O4 H4 105.2 . . . no
O3 O4 H4 102.1 . . . no
O3 O4 H5 121.3 . . . no
O3 O4 H5 121.3 . . . no
O3 O4 H10 70.5 . . . no
O3 O4 H10 148.5 . . . no
O3 O4 H10 70.5 . . . no
N2 O4 N2 115.7(7) . . . ?
N2 O4 N2 127.9(2) . . . ?
N2 O4 N3 79.2(2) . . . ?
N2 O4 C1 112.3(5) . . . ?
N2 O4 C2 22.3(2) . . . ?
N2 O4 C2 115.8(8) . . . ?
N2 O4 C2 149.7(2) . . . ?
N2 O4 C3 39.3(2) . . . ?
N2 O4 C3 158.9(2) . . . ?
N2 O4 C3 70.8(7) . . . ?
N2 O4 C4 42.55(10) . . . ?
N2 O4 C4 139.4(2) . . . ?
N2 O4 C6 39.4(2) . . . ?
N2 O4 C6 112.3(8) . . . ?
N2 O4 C6 145.6(2) . . . ?
N2 O4 H1 54.9 . . . no
N2 O4 H1 170.0 . . . no
N2 O4 H1 70.0 . . . no
N2 O4 H2 87.4 . . . no
N2 O4 H4 37.5 . . . no
N2 O4 H4 109.8 . . . no
N2 O4 H4 132.1 . . . no
N2 O4 H5 53.0 . . . no
N2 O4 H5 142.7 . . . no
N2 O4 H10 13.9 . . . no
N2 O4 H10 116.0 . . . no
N2 O4 H10 119.4 . . . no
N2 O4 N2 115.7(7) 4 4 4 ?
N2 O4 N3 123.6(3) 4 4 4 ?
N2 O4 C1 21.85(11) 4 4 4 ?
N2 O4 C2 93.4(9) 4 4 4 ?
N2 O4 C2 16.42(10) 4 4 4 ?
N2 O4 C2 93.4(9) 4 4 4 ?
N2 O4 C3 81.9(8) 4 4 4 ?
N2 O4 C3 81.9(8) 4 4 4 ?
N2 O4 C3 130.2(2) 4 4 4 ?
N2 O4 C4 93.2(8) 4 4 4 ?
N2 O4 C4 93.2(8) 4 4 4 ?
N2 O4 C6 82.8(8) 4 4 4 ?
N2 O4 C6 38.58(12) 4 4 4 ?
N2 O4 C6 82.8(8) 4 4 4 ?
N2 O4 H1 64.2 4 4 4 no
N2 O4 H1 64.2 4 4 4 no
N2 O4 H1 132.8 4 4 4 no
N2 O4 H2 87.5 4 4 4 no
N2 O4 H4 93.2 4 4 4 no
N2 O4 H4 48.0 4 4 4 no
N2 O4 H4 93.2 4 4 4 no
N2 O4 H5 72.2 4 4 4 no
N2 O4 H5 72.2 4 4 4 no
N2 O4 H10 120.8 4 4 4 no
N2 O4 H10 4.7 4 4 4 no
N2 O4 H10 120.8 4 4 4 no
N2 O4 N3 79.2(2) 1_545 1_545 1_545 ?
N2 O4 C1 112.3(5) 1_545 1_545 1_545 ?
N2 O4 C2 149.7(2) 1_545 1_545 1_545 ?
N2 O4 C2 115.8(8) 1_545 1_545 1_545 ?
N2 O4 C2 22.3(2) 1_545 1_545 1_545 ?
N2 O4 C3 158.9(2) 1_545 1_545 1_545 ?
N2 O4 C3 39.3(2) 1_545 1_545 1_545 ?
N2 O4 C3 70.8(7) 1_545 1_545 1_545 ?
N2 O4 C4 139.4(2) 1_545 1_545 1_545 ?
N2 O4 C4 42.55(10) 1_545 1_545 1_545 ?
N2 O4 C6 145.6(2) 1_545 1_545 1_545 ?
N2 O4 C6 112.3(8) 1_545 1_545 1_545 ?
N2 O4 C6 39.4(2) 1_545 1_545 1_545 ?
N2 O4 H1 170.0 1_545 1_545 1_545 no
N2 O4 H1 54.9 1_545 1_545 1_545 no
N2 O4 H1 70.0 1_545 1_545 1_545 no
N2 O4 H2 87.4 1_545 1_545 1_545 no
N2 O4 H4 132.1 1_545 1_545 1_545 no
N2 O4 H4 109.8 1_545 1_545 1_545 no
N2 O4 H4 37.5 1_545 1_545 1_545 no
N2 O4 H5 142.7 1_545 1_545 1_545 no
N2 O4 H5 53.0 1_545 1_545 1_545 no
N2 O4 H10 119.4 1_545 1_545 1_545 no
N2 O4 H10 116.0 1_545 1_545 1_545 no
N2 O4 H10 13.9 1_545 1_545 1_545 no
N3 O4 C1 145.5(3) . . . ?
N3 O4 C2 91.8(2) . . . ?
N3 O4 C2 107.2(3) . . . ?
N3 O4 C2 91.8(2) . . . ?
N3 O4 C3 81.2(2) . . . ?
N3 O4 C3 81.2(2) . . . ?
N3 O4 C3 106.2(3) . . . ?
N3 O4 C4 60.7(2) . . . ?
N3 O4 C4 60.7(2) . . . ?
N3 O4 C6 115.8(2) . . . ?
N3 O4 C6 85.0(3) . . . ?
N3 O4 C6 115.8(2) . . . ?
N3 O4 H1 92.5 . . . no
N3 O4 H1 92.5 . . . no
N3 O4 H1 103.6 . . . no
N3 O4 H2 148.8 . . . no
N3 O4 H4 116.7 . . . no
N3 O4 H4 75.6 . . . no
N3 O4 H4 116.7 . . . no
N3 O4 H5 128.8 . . . no
N3 O4 H5 128.8 . . . no
N3 O4 H10 86.9 . . . no
N3 O4 H10 118.9 . . . no
N3 O4 H10 86.9 . . . no
C1 O4 C2 91.5(7) 4 4 4 ?
C1 O4 C2 38.27(11) 4 4 4 ?
C1 O4 C2 91.5(7) 4 4 4 ?
C1 O4 C3 88.4(6) 4 4 4 ?
C1 O4 C3 88.4(6) 4 4 4 ?
C1 O4 C3 108.3(2) 4 4 4 ?
C1 O4 C4 104.9(6) 4 4 4 ?
C1 O4 C4 104.9(6) 4 4 4 ?
C1 O4 C6 73.7(7) 4 4 4 ?
C1 O4 C6 60.43(13) 4 4 4 ?
C1 O4 C6 73.7(7) 4 4 4 ?
C1 O4 H1 71.6 4 4 4 no
C1 O4 H1 71.6 4 4 4 no
C1 O4 H1 111.0 4 4 4 no
C1 O4 H2 65.7 4 4 4 no
C1 O4 H4 80.6 4 4 4 no
C1 O4 H4 69.9 4 4 4 no
C1 O4 H4 80.6 4 4 4 no
C1 O4 H5 60.8 4 4 4 no
C1 O4 H5 60.8 4 4 4 no
C1 O4 H10 111.9 4 4 4 no
C1 O4 H10 26.6 4 4 4 no
C1 O4 H10 111.9 4 4 4 no
C2 O4 C2 94.5(10) . . . ?
C2 O4 C2 168.7(2) . . . ?
C2 O4 C3 23.76(13) . . . ?
C2 O4 C3 167.3(2) . . . ?
C2 O4 C3 84.4(9) . . . ?
C2 O4 C4 37.9(2) . . . ?
C2 O4 C4 150.3(2) . . . ?
C2 O4 C6 24.24(12) . . . ?
C2 O4 C6 95.5(10) . . . ?
C2 O4 C6 149.1(2) . . . ?
C2 O4 H1 35.0 . . . no
C2 O4 H1 155.3 . . . no
C2 O4 H1 84.4 . . . no
C2 O4 H2 85.7 . . . no
C2 O4 H4 30.7 . . . no
C2 O4 H4 95.6 . . . no
C2 O4 H4 139.7 . . . no
C2 O4 H5 37.0 . . . no
C2 O4 H5 138.5 . . . no
C2 O4 H10 30.6 . . . no
C2 O4 H10 93.8 . . . no
C2 O4 H10 139.2 . . . no
C2 O4 C2 94.5(10) 4 4 4 ?
C2 O4 C3 77.6(9) 4 4 4 ?
C2 O4 C3 77.6(9) 4 4 4 ?
C2 O4 C3 146.6(1) 4 4 4 ?
C2 O4 C4 84.1(8) 4 4 4 ?
C2 O4 C4 84.1(8) 4 4 4 ?
C2 O4 C6 90.2(9) 4 4 4 ?
C2 O4 C6 22.16(11) 4 4 4 ?
C2 O4 C6 90.2(9) 4 4 4 ?
C2 O4 H1 61.0 4 4 4 no
C2 O4 H1 61.0 4 4 4 no
C2 O4 H1 149.2 4 4 4 no
C2 O4 H2 103.9 4 4 4 no
C2 O4 H4 102.5 4 4 4 no
C2 O4 H4 31.6 4 4 4 no
C2 O4 H4 102.5 4 4 4 no
C2 O4 H5 82.1 4 4 4 no
C2 O4 H5 82.1 4 4 4 no
C2 O4 H10 124.7 4 4 4 no
C2 O4 H10 11.7 4 4 4 no
C2 O4 H10 124.7 4 4 4 no
C2 O4 C3 167.3(2) 1_545 1_545 1_545 ?
C2 O4 C3 23.76(13) 1_545 1_545 1_545 ?
C2 O4 C3 84.4(9) 1_545 1_545 1_545 ?
C2 O4 C4 150.3(2) 1_545 1_545 1_545 ?
C2 O4 C4 37.9(2) 1_545 1_545 1_545 ?
C2 O4 C6 149.1(2) 1_545 1_545 1_545 ?
C2 O4 C6 95.5(10) 1_545 1_545 1_545 ?
C2 O4 C6 24.24(12) 1_545 1_545 1_545 ?
C2 O4 H1 155.3 1_545 1_545 1_545 no
C2 O4 H1 35.0 1_545 1_545 1_545 no
C2 O4 H1 84.4 1_545 1_545 1_545 no
C2 O4 H2 85.7 1_545 1_545 1_545 no
C2 O4 H4 139.7 1_545 1_545 1_545 no
C2 O4 H4 95.6 1_545 1_545 1_545 no
C2 O4 H4 30.7 1_545 1_545 1_545 no
C2 O4 H5 138.5 1_545 1_545 1_545 no
C2 O4 H5 37.0 1_545 1_545 1_545 no
C2 O4 H10 139.2 1_545 1_545 1_545 no
C2 O4 H10 93.8 1_545 1_545 1_545 no
C2 O4 H10 30.6 1_545 1_545 1_545 no
C3 O4 C3 143.6(2) . . . ?
C3 O4 C3 107.7(8) . . . ?
C3 O4 C4 20.49(11) . . . ?
C3 O4 C4 130.2(2) . . . ?
C3 O4 C6 42.24(12) . . . ?
C3 O4 C6 73.5(9) . . . ?
C3 O4 C6 161.7(2) . . . ?
C3 O4 H1 17.7 . . . no
C3 O4 H1 134.2 . . . no
C3 O4 H1 107.5 . . . no
C3 O4 H2 105.8 . . . no
C3 O4 H4 52.7 . . . no
C3 O4 H4 72.5 . . . no
C3 O4 H4 160.5 . . . no
C3 O4 H5 51.1 . . . no
C3 O4 H5 148.1 . . . no
C3 O4 H10 51.5 . . . no
C3 O4 H10 80.6 . . . no
C3 O4 H10 157.2 . . . no
C3 O4 C3 107.7(8) 1_545 1_545 1_545 ?
C3 O4 C4 130.2(2) 1_545 1_545 1_545 ?
C3 O4 C4 20.49(11) 1_545 1_545 1_545 ?
C3 O4 C6 161.7(2) 1_545 1_545 1_545 ?
C3 O4 C6 73.5(9) 1_545 1_545 1_545 ?
C3 O4 C6 42.24(12) 1_545 1_545 1_545 ?
C3 O4 H1 134.2 1_545 1_545 1_545 no
C3 O4 H1 17.7 1_545 1_545 1_545 no
C3 O4 H1 107.5 1_545 1_545 1_545 no
C3 O4 H2 105.8 1_545 1_545 1_545 no
C3 O4 H4 160.5 1_545 1_545 1_545 no
C3 O4 H4 72.5 1_545 1_545 1_545 no
C3 O4 H4 52.7 1_545 1_545 1_545 no
C3 O4 H5 148.1 1_545 1_545 1_545 no
C3 O4 H5 51.1 1_545 1_545 1_545 no
C3 O4 H10 157.2 1_545 1_545 1_545 no
C3 O4 H10 80.6 1_545 1_545 1_545 no
C3 O4 H10 51.5 1_545 1_545 1_545 no
C3 O4 C4 112.7(8) 4_554 4_554 4_554 ?
C3 O4 C4 112.7(8) 4_554 4_554 4_554 ?
C3 O4 C6 75.3(8) 4_554 4_554 4_554 ?
C3 O4 C6 168.7(2) 4_554 4_554 4_554 ?
C3 O4 C6 75.3(8) 4_554 4_554 4_554 ?
C3 O4 H1 117.5 4_554 4_554 4_554 no
C3 O4 H1 117.5 4_554 4_554 4_554 no
C3 O4 H1 2.6 4_554 4_554 4_554 no
C3 O4 H2 42.6 4_554 4_554 4_554 no
C3 O4 H4 61.5 4_554 4_554 4_554 no
C3 O4 H4 178.2 4_554 4_554 4_554 no
C3 O4 H4 61.5 4_554 4_554 4_554 no
C3 O4 H5 77.1 4_554 4_554 4_554 no
C3 O4 H5 77.1 4_554 4_554 4_554 no
C3 O4 H10 57.2 4_554 4_554 4_554 no
C3 O4 H10 134.9 4_554 4_554 4_554 no
C3 O4 H10 57.2 4_554 4_554 4_554 no
C4 O4 C4 112.8(2) . . . ?
C4 O4 C6 60.55(12) . . . ?
C4 O4 C6 72.5(8) . . . ?
C4 O4 C6 171.8(2) . . . ?
C4 O4 H1 34.0 . . . no
C4 O4 H1 128.1 . . . no
C4 O4 H1 111.5 . . . no
C4 O4 H2 123.6 . . . no
C4 O4 H4 68.6 . . . no
C4 O4 H4 68.1 . . . no
C4 O4 H4 173.4 . . . no
C4 O4 H5 70.9 . . . no
C4 O4 H5 165.3 . . . no
C4 O4 H10 56.4 . . . no
C4 O4 H10 90.6 . . . no
C4 O4 H10 143.2 . . . no
C4 O4 C6 171.8(2) 1_545 1_545 1_545 ?
C4 O4 C6 72.5(8) 1_545 1_545 1_545 ?
C4 O4 C6 60.55(12) 1_545 1_545 1_545 ?
C4 O4 H1 128.1 1_545 1_545 1_545 no
C4 O4 H1 34.0 1_545 1_545 1_545 no
C4 O4 H1 111.5 1_545 1_545 1_545 no
C4 O4 H2 123.6 1_545 1_545 1_545 no
C4 O4 H4 173.4 1_545 1_545 1_545 no
C4 O4 H4 68.1 1_545 1_545 1_545 no
C4 O4 H4 68.6 1_545 1_545 1_545 no
C4 O4 H5 165.3 1_545 1_545 1_545 no
C4 O4 H5 70.9 1_545 1_545 1_545 no
C4 O4 H10 143.2 1_545 1_545 1_545 no
C4 O4 H10 90.6 1_545 1_545 1_545 no
C4 O4 H10 56.4 1_545 1_545 1_545 no
C6 O4 C6 100.1(9) . . . ?
C6 O4 C6 125.6(2) . . . ?
C6 O4 H1 43.7 . . . no
C6 O4 H1 145.2 . . . no
C6 O4 H1 76.3 . . . no
C6 O4 H2 63.6 . . . no
C6 O4 H4 13.8 . . . no
C6 O4 H4 104.0 . . . no
C6 O4 H4 118.6 . . . no
C6 O4 H5 13.7 . . . no
C6 O4 H5 114.3 . . . no
C6 O4 H10 38.7 . . . no
C6 O4 H10 84.9 . . . no
C6 O4 H10 131.8 . . . no
C6 O4 C6 100.1(9) 4 4 4 ?
C6 O4 H1 60.8 4 4 4 no
C6 O4 H1 60.8 4 4 4 no
C6 O4 H1 171.4 4 4 4 no
C6 O4 H2 126.1 4 4 4 no
C6 O4 H4 113.8 4 4 4 no
C6 O4 H4 9.4 4 4 4 no
C6 O4 H4 113.8 4 4 4 no
C6 O4 H5 96.0 4 4 4 no
C6 O4 H5 96.0 4 4 4 no
C6 O4 H10 125.0 4 4 4 no
C6 O4 H10 33.9 4 4 4 no
C6 O4 H10 125.0 4 4 4 no
C6 O4 H1 145.2 1_545 1_545 1_545 no
C6 O4 H1 43.7 1_545 1_545 1_545 no
C6 O4 H1 76.3 1_545 1_545 1_545 no
C6 O4 H2 63.6 1_545 1_545 1_545 no
C6 O4 H4 118.6 1_545 1_545 1_545 no
C6 O4 H4 104.0 1_545 1_545 1_545 no
C6 O4 H4 13.8 1_545 1_545 1_545 no
C6 O4 H5 114.3 1_545 1_545 1_545 no
C6 O4 H5 13.7 1_545 1_545 1_545 no
C6 O4 H10 131.8 1_545 1_545 1_545 no
C6 O4 H10 84.9 1_545 1_545 1_545 no
C6 O4 H10 38.7 1_545 1_545 1_545 no
H1 O4 H1 120.5 . . . no
H1 O4 H1 118.0 . . . no
H1 O4 H2 102.6 . . . no
H1 O4 H4 56.9 . . . no
H1 O4 H4 62.1 . . . no
H1 O4 H4 150.3 . . . no
H1 O4 H5 47.3 . . . no
H1 O4 H5 132.3 . . . no
H1 O4 H10 65.4 . . . no
H1 O4 H10 63.0 . . . no
H1 O4 H10 174.1 . . . no
H1 O4 H1 118.0 1_545 1_545 1_545 no
H1 O4 H2 102.6 1_545 1_545 1_545 no
H1 O4 H4 150.3 1_545 1_545 1_545 no
H1 O4 H4 62.1 1_545 1_545 1_545 no
H1 O4 H4 56.9 1_545 1_545 1_545 no
H1 O4 H5 132.3 1_545 1_545 1_545 no
H1 O4 H5 47.3 1_545 1_545 1_545 no
H1 O4 H10 174.1 1_545 1_545 1_545 no
H1 O4 H10 63.0 1_545 1_545 1_545 no
H1 O4 H10 65.4 1_545 1_545 1_545 no
H1 O4 H2 45.3 4_554 4_554 4_554 no
H1 O4 H4 62.6 4_554 4_554 4_554 no
H1 O4 H4 179.2 4_554 4_554 4_554 no
H1 O4 H4 62.6 4_554 4_554 4_554 no
H1 O4 H5 78.7 4_554 4_554 4_554 no
H1 O4 H5 78.7 4_554 4_554 4_554 no
H1 O4 H10 56.6 4_554 4_554 4_554 no
H1 O4 H10 137.5 4_554 4_554 4_554 no
H1 O4 H10 56.6 4_554 4_554 4_554 no
H2 O4 H4 55.0 4_554 4_554 4_554 no
H2 O4 H4 135.5 4_554 4_554 4_554 no
H2 O4 H4 55.0 4_554 4_554 4_554 no
H2 O4 H5 55.8 4_554 4_554 4_554 no
H2 O4 H5 55.8 4_554 4_554 4_554 no
H2 O4 H10 75.3 4_554 4_554 4_554 no
H2 O4 H10 92.2 4_554 4_554 4_554 no
H2 O4 H10 75.3 4_554 4_554 4_554 no
H4 O4 H4 117.8 . . . no
H4 O4 H4 109.2 . . . no
H4 O4 H5 21.0 . . . no
H4 O4 H5 109.5 . . . no
H4 O4 H10 31.7 . . . no
H4 O4 H10 95.9 . . . no
H4 O4 H10 118.3 . . . no
H4 O4 H4 117.8 4 4 4 no
H4 O4 H5 101.8 4 4 4 no
H4 O4 H5 101.8 4 4 4 no
H4 O4 H10 123.3 4 4 4 no
H4 O4 H10 43.3 4 4 4 no
H4 O4 H10 123.3 4 4 4 no
H4 O4 H5 109.5 1_545 1_545 1_545 no
H4 O4 H5 21.0 1_545 1_545 1_545 no
H4 O4 H10 118.3 1_545 1_545 1_545 no
H4 O4 H10 95.9 1_545 1_545 1_545 no
H4 O4 H10 31.7 1_545 1_545 1_545 no
H5 O4 H5 102.1 . . . no
H5 O4 H10 51.1 . . . no
H5 O4 H10 75.0 . . . no
H5 O4 H10 129.5 . . . no
H5 O4 H10 129.5 7_545 7_545 7_545 no
H5 O4 H10 75.0 7_545 7_545 7_545 no
H5 O4 H10 51.1 7_545 7_545 7_545 no
H10 O4 H10 122.2 . . . no
H10 O4 H10 108.8 . . . no
H10 O4 H10 122.2 4 4 4 no
O1 N1 O2 110.9(9) . . . ?
O1 N1 O2 110.9(9) . . . ?
O1 N1 O3 75.2(9) . . . ?
O1 N1 O3 75.2(9) . . . ?
O1 N1 N2 59.7(2) . . . ?
O1 N1 N3 93.4(9) . . . ?
O1 N1 N3 93.4(9) . . . ?
O1 N1 C1 26.9(2) . . . ?
O1 N1 C2 89.3(2) . . . ?
O1 N1 C3 119.2(2) . . . ?
O1 N1 C4 149.1(4) . . . ?
O1 N1 C5 179.6(3) . . . ?
O1 N1 C7 89.7(3) . . . ?
O1 N1 C8 89.8(5) . . . ?
O1 N1 C8 89.8(5) . . . ?
O1 N1 C9 89.8(4) . . . ?
O1 N1 C9 89.8(4) . . . ?
O1 N1 H1 127.6 . . . no
O1 N1 H2 169.3 . . . no
O1 N1 H3 159.0 . . . no
O1 N1 H3 159.0 . . . no
O1 N1 H6 90.0 . . . no
O1 N1 H6 90.0 . . . no
O1 N1 H10 51.1 . . . no
O2 N1 O2 131.9(2) . . . ?
O2 N1 O3 35.70(12) . . . ?
O2 N1 O3 154.1(2) . . . ?
O2 N1 N2 90.5(4) . . . ?
O2 N1 N3 20.36(12) . . . ?
O2 N1 N3 137.9(2) . . . ?
O2 N1 C1 103.2(7) . . . ?
O2 N1 C2 78.88(10) . . . ?
O2 N1 C3 69.8(4) . . . ?
O2 N1 C4 66.0(8) . . . ?
O2 N1 C5 69.2(9) . . . ?
O2 N1 C7 101.46(13) . . . ?
O2 N1 C8 74.70(13) . . . ?
O2 N1 C8 127.7(2) . . . ?
O2 N1 C9 84.44(11) . . . ?
O2 N1 C9 118.3(1) . . . ?
O2 N1 H1 68.1 . . . no
O2 N1 H2 67.2 . . . no
O2 N1 H3 56.1 . . . no
O2 N1 H3 88.6 . . . no
O2 N1 H6 54.9 . . . no
O2 N1 H6 145.8 . . . no
O2 N1 H10 94.0 . . . no
O2 N1 O3 154.1(2) 1_565 1_565 1_565 ?
O2 N1 O3 35.70(12) 1_565 1_565 1_565 ?
O2 N1 N2 90.5(4) 1_565 1_565 1_565 ?
O2 N1 N3 137.9(2) 1_565 1_565 1_565 ?
O2 N1 N3 20.36(12) 1_565 1_565 1_565 ?
O2 N1 C1 103.2(7) 1_565 1_565 1_565 ?
O2 N1 C2 78.88(10) 1_565 1_565 1_565 ?
O2 N1 C3 69.8(4) 1_565 1_565 1_565 ?
O2 N1 C4 66.0(8) 1_565 1_565 1_565 ?
O2 N1 C5 69.2(9) 1_565 1_565 1_565 ?
O2 N1 C7 101.46(13) 1_565 1_565 1_565 ?
O2 N1 C8 127.7(2) 1_565 1_565 1_565 ?
O2 N1 C8 74.70(13) 1_565 1_565 1_565 ?
O2 N1 C9 118.3(1) 1_565 1_565 1_565 ?
O2 N1 C9 84.44(11) 1_565 1_565 1_565 ?
O2 N1 H1 68.1 1_565 1_565 1_565 no
O2 N1 H2 67.2 1_565 1_565 1_565 no
O2 N1 H3 88.6 1_565 1_565 1_565 no
O2 N1 H3 56.1 1_565 1_565 1_565 no
O2 N1 H6 145.8 1_565 1_565 1_565 no
O2 N1 H6 54.9 1_565 1_565 1_565 no
O2 N1 H10 94.0 1_565 1_565 1_565 no
O3 N1 O3 139.1(2) . . . ?
O3 N1 N2 70.4(4) . . . ?
O3 N1 N3 20.11(9) . . . ?
O3 N1 N3 141.6(2) . . . ?
O3 N1 C1 70.4(8) . . . ?
O3 N1 C2 76.0(2) . . . ?
O3 N1 C3 85.2(6) . . . ?
O3 N1 C4 95.5(8) . . . ?
O3 N1 C5 104.9(9) . . . ?
O3 N1 C7 103.8(2) . . . ?
O3 N1 C8 76.1(2) . . . ?
O3 N1 C8 131.2(2) . . . ?
O3 N1 C9 86.2(2) . . . ?
O3 N1 C9 121.3(2) . . . ?
O3 N1 H1 88.1 . . . no
O3 N1 H2 101.9 . . . no
O3 N1 H3 90.8 . . . no
O3 N1 H3 124.2 . . . no
O3 N1 H6 55.5 . . . no
O3 N1 H6 150.8 . . . no
O3 N1 H10 69.8 . . . no
O3 N1 N2 70.4(4) 1_565 1_565 1_565 ?
O3 N1 N3 141.6(2) 1_565 1_565 1_565 ?
O3 N1 N3 20.11(9) 1_565 1_565 1_565 ?
O3 N1 C1 70.4(8) 1_565 1_565 1_565 ?
O3 N1 C2 76.0(2) 1_565 1_565 1_565 ?
O3 N1 C3 85.2(6) 1_565 1_565 1_565 ?
O3 N1 C4 95.5(8) 1_565 1_565 1_565 ?
O3 N1 C5 104.9(9) 1_565 1_565 1_565 ?
O3 N1 C7 103.8(2) 1_565 1_565 1_565 ?
O3 N1 C8 131.2(2) 1_565 1_565 1_565 ?
O3 N1 C8 76.1(2) 1_565 1_565 1_565 ?
O3 N1 C9 121.3(2) 1_565 1_565 1_565 ?
O3 N1 C9 86.2(2) 1_565 1_565 1_565 ?
O3 N1 H1 88.1 1_565 1_565 1_565 no
O3 N1 H2 101.9 1_565 1_565 1_565 no
O3 N1 H3 124.2 1_565 1_565 1_565 no
O3 N1 H3 90.8 1_565 1_565 1_565 no
O3 N1 H6 150.8 1_565 1_565 1_565 no
O3 N1 H6 55.5 1_565 1_565 1_565 no
O3 N1 H10 69.8 1_565 1_565 1_565 no
N2 N1 N3 72.2(5) . . . ?
N2 N1 N3 72.2(5) . . . ?
N2 N1 C1 32.8(2) . . . ?
N2 N1 C2 29.6(2) . . . ?
N2 N1 C3 59.5(2) . . . ?
N2 N1 C4 89.4(3) . . . ?
N2 N1 C5 120.7(2) . . . ?
N2 N1 C7 149.5(3) . . . ?
N2 N1 C8 139.1(4) . . . ?
N2 N1 C8 139.1(4) . . . ?
N2 N1 C9 145.0(3) . . . ?
N2 N1 C9 145.0(3) . . . ?
N2 N1 H1 67.9 . . . no
N2 N1 H2 109.6 . . . no
N2 N1 H3 130.6 . . . no
N2 N1 H3 130.6 . . . no
N2 N1 H6 123.6 . . . no
N2 N1 H6 123.6 . . . no
N2 N1 H10 8.6 . . . no
N3 N1 N3 133.6(2) . . . ?
N3 N1 C1 82.9(8) . . . ?
N3 N1 C2 67.13(10) . . . ?
N3 N1 C3 68.3(5) . . . ?
N3 N1 C4 75.5(8) . . . ?
N3 N1 C5 86.7(9) . . . ?
N3 N1 C7 112.93(11) . . . ?
N3 N1 C8 84.33(13) . . . ?
N3 N1 C8 141.5(2) . . . ?
N3 N1 C9 94.77(12) . . . ?
N3 N1 C9 131.1(1) . . . ?
N3 N1 H1 69.8 . . . no
N3 N1 H2 82.5 . . . no
N3 N1 H3 75.9 . . . no
N3 N1 H3 107.1 . . . no
N3 N1 H6 62.8 . . . no
N3 N1 H6 162.8 . . . no
N3 N1 H10 74.6 . . . no
N3 N1 C1 82.9(8) 1_565 1_565 1_565 ?
N3 N1 C2 67.13(10) 1_565 1_565 1_565 ?
N3 N1 C3 68.3(5) 1_565 1_565 1_565 ?
N3 N1 C4 75.5(8) 1_565 1_565 1_565 ?
N3 N1 C5 86.7(9) 1_565 1_565 1_565 ?
N3 N1 C7 112.93(11) 1_565 1_565 1_565 ?
N3 N1 C8 141.5(2) 1_565 1_565 1_565 ?
N3 N1 C8 84.33(13) 1_565 1_565 1_565 ?
N3 N1 C9 131.1(1) 1_565 1_565 1_565 ?
N3 N1 C9 94.77(12) 1_565 1_565 1_565 ?
N3 N1 H1 69.8 1_565 1_565 1_565 no
N3 N1 H2 82.5 1_565 1_565 1_565 no
N3 N1 H3 107.1 1_565 1_565 1_565 no
N3 N1 H3 75.9 1_565 1_565 1_565 no
N3 N1 H6 162.8 1_565 1_565 1_565 no
N3 N1 H6 62.8 1_565 1_565 1_565 no
N3 N1 H10 74.6 1_565 1_565 1_565 no
C1 N1 C2 62.4(3) . . . ?
C1 N1 C3 92.3(3) . . . ?
C1 N1 C4 122.2(4) . . . ?
C1 N1 C5 153.5(4) . . . ?
C1 N1 C7 116.7(4) . . . ?
C1 N1 C8 113.2(5) . . . ?
C1 N1 C8 113.2(5) . . . ?
C1 N1 C9 115.3(4) . . . ?
C1 N1 C9 115.3(4) . . . ?
C1 N1 H1 100.7 . . . no
C1 N1 H2 142.4 . . . no
C1 N1 H3 157.9 . . . no
C1 N1 H3 157.9 . . . no
C1 N1 H6 106.9 . . . no
C1 N1 H6 106.9 . . . no
C1 N1 H10 24.2 . . . no
C2 N1 C3 29.8(2) . . . ?
C2 N1 C4 59.8(3) . . . ?
C2 N1 C5 91.1(2) . . . ?
C2 N1 C7 179.1(3) . . . ?
C2 N1 C8 151.34(11) . . . ?
C2 N1 C8 151.34(11) . . . ?
C2 N1 C9 161.79(8) . . . ?
C2 N1 C9 161.79(8) . . . ?
C2 N1 H1 38.3 . . . no
C2 N1 H2 80.0 . . . no
C2 N1 H3 102.7 . . . no
C2 N1 H3 102.7 . . . no
C2 N1 H6 129.8 . . . no
C2 N1 H6 129.8 . . . no
C2 N1 H10 38.2 . . . no
C3 N1 C4 30.0(3) . . . ?
C3 N1 C5 61.3(2) . . . ?
C3 N1 C7 151.1(3) . . . ?
C3 N1 C8 140.1(4) . . . ?
C3 N1 C8 140.1(4) . . . ?
C3 N1 C9 146.2(3) . . . ?
C3 N1 C9 146.2(3) . . . ?
C3 N1 H1 8.4 . . . no
C3 N1 H2 50.1 . . . no
C3 N1 H3 74.2 . . . no
C3 N1 H3 74.2 . . . no
C3 N1 H6 124.0 . . . no
C3 N1 H6 124.0 . . . no
C3 N1 H10 68.1 . . . no
C4 N1 C5 31.3(3) . . . ?
C4 N1 C7 121.1(4) . . . ?
C4 N1 C8 116.9(6) . . . ?
C4 N1 C8 116.9(6) . . . ?
C4 N1 C9 119.3(4) . . . ?
C4 N1 C9 119.3(4) . . . ?
C4 N1 H1 21.5 . . . no
C4 N1 H2 20.2 . . . no
C4 N1 H3 46.0 . . . no
C4 N1 H3 46.0 . . . no
C4 N1 H6 109.2 . . . no
C4 N1 H6 109.2 . . . no
C4 N1 H10 98.1 . . . no
C5 N1 C7 89.8(3) . . . ?
C5 N1 C8 89.8(5) . . . ?
C5 N1 C8 89.8(5) . . . ?
C5 N1 C9 89.8(4) . . . ?
C5 N1 C9 89.8(4) . . . ?
C5 N1 H1 52.8 . . . no
C5 N1 H2 11.1 . . . no
C5 N1 H3 20.8 . . . no
C5 N1 H3 20.8 . . . no
C5 N1 H6 89.7 . . . no
C5 N1 H6 89.7 . . . no
C5 N1 H10 129.4 . . . no
C7 N1 C8 28.65(12) . . . ?
C7 N1 C8 28.65(12) . . . ?
C7 N1 C9 18.19(8) . . . ?
C7 N1 C9 18.19(8) . . . ?
C7 N1 H1 142.6 . . . no
C7 N1 H2 100.9 . . . no
C7 N1 H3 78.2 . . . no
C7 N1 H3 78.2 . . . no
C7 N1 H6 50.2 . . . no
C7 N1 H6 50.2 . . . no
C7 N1 H10 140.8 . . . no
C8 N1 C8 57.3(2) . . . ?
C8 N1 C9 10.46(13) . . . ?
C8 N1 C9 46.8(2) . . . ?
C8 N1 H1 134.2 . . . no
C8 N1 H2 99.5 . . . no
C8 N1 H3 71.3 . . . no
C8 N1 H3 87.7 . . . no
C8 N1 H6 21.5 . . . no
C8 N1 H6 78.8 . . . no
C8 N1 H10 132.9 . . . no
C8 N1 C9 46.8(2) 7 7 7 ?
C8 N1 C9 10.46(13) 7 7 7 ?
C8 N1 H1 134.2 7 7 7 no
C8 N1 H2 99.5 7 7 7 no
C8 N1 H3 87.7 7 7 7 no
C8 N1 H3 71.3 7 7 7 no
C8 N1 H6 78.8 7 7 7 no
C8 N1 H6 21.5 7 7 7 no
C8 N1 H10 132.9 7 7 7 no
C9 N1 C9 36.4(2) . . . ?
C9 N1 H1 139.0 . . . no
C9 N1 H2 100.3 . . . no
C9 N1 H3 73.3 . . . no
C9 N1 H3 84.0 . . . no
C9 N1 H6 32.0 . . . no
C9 N1 H6 68.4 . . . no
C9 N1 H10 137.5 . . . no
C9 N1 H1 139.0 7 7 7 no
C9 N1 H2 100.3 7 7 7 no
C9 N1 H3 84.0 7 7 7 no
C9 N1 H3 73.3 7 7 7 no
C9 N1 H6 68.4 7 7 7 no
C9 N1 H6 32.0 7 7 7 no
C9 N1 H10 137.5 7 7 7 no
H1 N1 H2 41.7 . . . no
H1 N1 H3 66.1 . . . no
H1 N1 H3 66.1 . . . no
H1 N1 H6 120.5 . . . no
H1 N1 H6 120.5 . . . no
H1 N1 H10 76.5 . . . no
H2 N1 H3 28.5 . . . no
H2 N1 H3 28.5 . . . no
H2 N1 H6 96.8 . . . no
H2 N1 H6 96.8 . . . no
H2 N1 H10 118.2 . . . no
H3 N1 H3 34.0 . . . no
H3 N1 H6 69.0 . . . no
H3 N1 H6 95.2 . . . no
H3 N1 H10 138.5 . . . no
H3 N1 H6 95.2 7 7 7 no
H3 N1 H6 69.0 7 7 7 no
H3 N1 H10 138.5 7 7 7 no
H6 N1 H6 100.4 . . . no
H6 N1 H10 119.9 . . . no
H6 N1 H10 119.9 7 7 7 no
O1 N2 O2 117.5(2) . . . ?
O1 N2 O3 74.8(6) . . . ?
O1 N2 O3 74.8(6) . . . ?
O1 N2 O4 110.2(4) . . . ?
O1 N2 O4 81.8(2) . . . ?
O1 N2 O4 110.2(4) . . . ?
O1 N2 N1 59.4(2) . . . ?
O1 N2 N3 91.5(5) . . . ?
O1 N2 N3 98.4(2) . . . ?
O1 N2 N3 91.5(5) . . . ?
O1 N2 C1 26.4(3) . . . ?
O1 N2 C2 151.2(4) . . . ?
O1 N2 C3 120.3(2) . . . ?
O1 N2 C4 89.9(2) . . . ?
O1 N2 C6 175.7(3) . . . ?
O1 N2 C7 47.77(13) . . . ?
O1 N2 H1 131.0 . . . no
O1 N2 H1 101.2 . . . no
O1 N2 H1 101.2 . . . no
O1 N2 H4 152.8 . . . no
O1 N2 H5 164.3 . . . no
O1 N2 H5 164.3 . . . no
O1 N2 H5 56.2 . . . no
O1 N2 H5 56.2 . . . no
O1 N2 H10 91.0 . . . no
O2 N2 O3 110.0(5) 4_554 4_554 4_554 ?
O2 N2 O3 110.0(5) 4_554 4_554 4_554 ?
O2 N2 O4 94.6(4) 4_554 4_554 4_554 ?
O2 N2 O4 35.68(10) 4_554 4_554 4_554 ?
O2 N2 O4 94.6(4) 4_554 4_554 4_554 ?
O2 N2 N1 176.9(2) 4_554 4_554 4_554 ?
O2 N2 N3 111.8(3) 4_554 4_554 4_554 ?
O2 N2 N3 19.14(8) 4_554 4_554 4_554 ?
O2 N2 N3 111.8(3) 4_554 4_554 4_554 ?
O2 N2 C1 143.9(3) 4_554 4_554 4_554 ?
O2 N2 C2 91.3(3) 4_554 4_554 4_554 ?
O2 N2 C3 122.2(2) 4_554 4_554 4_554 ?
O2 N2 C4 152.6(2) 4_554 4_554 4_554 ?
O2 N2 C6 58.1(2) 4_554 4_554 4_554 ?
O2 N2 C7 165.3(2) 4_554 4_554 4_554 ?
O2 N2 H1 111.5 4_554 4_554 4_554 no
O2 N2 H1 64.5 4_554 4_554 4_554 no
O2 N2 H1 64.5 4_554 4_554 4_554 no
O2 N2 H4 35.3 4_554 4_554 4_554 no
O2 N2 H5 62.9 4_554 4_554 4_554 no
O2 N2 H5 62.9 4_554 4_554 4_554 no
O2 N2 H5 80.6 4_554 4_554 4_554 no
O2 N2 H5 80.6 4_554 4_554 4_554 no
O2 N2 H10 26.5 4_554 4_554 4_554 no
O3 N2 O3 137.6(2) . . . ?
O3 N2 O4 35.5(2) . . . ?
O3 N2 O4 102.1(9) . . . ?
O3 N2 O4 149.4(2) . . . ?
O3 N2 N1 69.6(4) . . . ?
O3 N2 N3 19.79(13) . . . ?
O3 N2 N3 106.6(7) . . . ?
O3 N2 N3 137.7(2) . . . ?
O3 N2 C1 69.8(2) . . . ?
O3 N2 C2 96.3(9) . . . ?
O3 N2 C3 85.2(9) . . . ?
O3 N2 C4 75.5(8) . . . ?
O3 N2 C6 106.3(5) . . . ?
O3 N2 C7 68.8(2) . . . ?
O3 N2 H1 89.1 . . . no
O3 N2 H1 46.0 . . . no
O3 N2 H1 171.1 . . . no
O3 N2 H4 110.3 . . . no
O3 N2 H5 90.2 . . . no
O3 N2 H5 120.5 . . . no
O3 N2 H5 48.4 . . . no
O3 N2 H5 127.5 . . . no
O3 N2 H10 104.7 . . . no
O3 N2 O4 149.4(2) 1_565 1_565 1_565 ?
O3 N2 O4 102.1(9) 1_565 1_565 1_565 ?
O3 N2 O4 35.5(2) 1_565 1_565 1_565 ?
O3 N2 N1 69.6(4) 1_565 1_565 1_565 ?
O3 N2 N3 137.7(2) 1_565 1_565 1_565 ?
O3 N2 N3 106.6(7) 1_565 1_565 1_565 ?
O3 N2 N3 19.79(13) 1_565 1_565 1_565 ?
O3 N2 C1 69.8(2) 1_565 1_565 1_565 ?
O3 N2 C2 96.3(9) 1_565 1_565 1_565 ?
O3 N2 C3 85.2(9) 1_565 1_565 1_565 ?
O3 N2 C4 75.5(8) 1_565 1_565 1_565 ?
O3 N2 C6 106.3(5) 1_565 1_565 1_565 ?
O3 N2 C7 68.8(2) 1_565 1_565 1_565 ?
O3 N2 H1 89.1 1_565 1_565 1_565 no
O3 N2 H1 171.1 1_565 1_565 1_565 no
O3 N2 H1 46.0 1_565 1_565 1_565 no
O3 N2 H4 110.3 1_565 1_565 1_565 no
O3 N2 H5 120.5 1_565 1_565 1_565 no
O3 N2 H5 90.2 1_565 1_565 1_565 no
O3 N2 H5 127.5 1_565 1_565 1_565 no
O3 N2 H5 48.4 1_565 1_565 1_565 no
O3 N2 H10 104.7 1_565 1_565 1_565 no
O4 N2 O4 108.5(7) . . . ?
O4 N2 O4 127.9(2) . . . ?
O4 N2 N1 86.7(4) . . . ?
O4 N2 N3 20.6(2) . . . ?
O4 N2 N3 102.6(6) . . . ?
O4 N2 N3 133.1(1) . . . ?
O4 N2 C1 100.9(2) . . . ?
O4 N2 C2 64.3(7) . . . ?
O4 N2 C3 65.9(8) . . . ?
O4 N2 C4 74.3(7) . . . ?
O4 N2 C6 71.1(4) . . . ?
O4 N2 C7 91.8(2) . . . ?
O4 N2 H1 64.5 . . . no
O4 N2 H1 39.3 . . . no
O4 N2 H1 148.0 . . . no
O4 N2 H4 79.4 . . . no
O4 N2 H5 55.1 . . . no
O4 N2 H5 85.1 . . . no
O4 N2 H5 72.9 . . . no
O4 N2 H5 159.1 . . . no
O4 N2 H10 105.4 . . . no
O4 N2 O4 108.5(7) 4_554 4_554 4_554 ?
O4 N2 N1 141.2(2) 4_554 4_554 4_554 ?
O4 N2 N3 115.6(7) 4_554 4_554 4_554 ?
O4 N2 N3 16.54(10) 4_554 4_554 4_554 ?
O4 N2 N3 115.6(7) 4_554 4_554 4_554 ?
O4 N2 C1 108.2(3) 4_554 4_554 4_554 ?
O4 N2 C2 127.0(3) 4_554 4_554 4_554 ?
O4 N2 C3 157.9(2) 4_554 4_554 4_554 ?
O4 N2 C4 171.7(2) 4_554 4_554 4_554 ?
O4 N2 C6 93.8(2) 4_554 4_554 4_554 ?
O4 N2 C7 129.6(2) 4_554 4_554 4_554 ?
O4 N2 H1 147.2 4_554 4_554 4_554 no
O4 N2 H1 69.3 4_554 4_554 4_554 no
O4 N2 H1 69.3 4_554 4_554 4_554 no
O4 N2 H4 71.0 4_554 4_554 4_554 no
O4 N2 H5 97.1 4_554 4_554 4_554 no
O4 N2 H5 97.1 4_554 4_554 4_554 no
O4 N2 H5 56.8 4_554 4_554 4_554 no
O4 N2 H5 56.8 4_554 4_554 4_554 no
O4 N2 H10 9.2 4_554 4_554 4_554 no
O4 N2 N1 86.7(4) 1_565 1_565 1_565 ?
O4 N2 N3 133.1(1) 1_565 1_565 1_565 ?
O4 N2 N3 102.6(6) 1_565 1_565 1_565 ?
O4 N2 N3 20.6(2) 1_565 1_565 1_565 ?
O4 N2 C1 100.9(2) 1_565 1_565 1_565 ?
O4 N2 C2 64.3(7) 1_565 1_565 1_565 ?
O4 N2 C3 65.9(8) 1_565 1_565 1_565 ?
O4 N2 C4 74.3(7) 1_565 1_565 1_565 ?
O4 N2 C6 71.1(4) 1_565 1_565 1_565 ?
O4 N2 C7 91.8(2) 1_565 1_565 1_565 ?
O4 N2 H1 64.5 1_565 1_565 1_565 no
O4 N2 H1 148.0 1_565 1_565 1_565 no
O4 N2 H1 39.3 1_565 1_565 1_565 no
O4 N2 H4 79.4 1_565 1_565 1_565 no
O4 N2 H5 85.1 1_565 1_565 1_565 no
O4 N2 H5 55.1 1_565 1_565 1_565 no
O4 N2 H5 159.1 1_565 1_565 1_565 no
O4 N2 H5 72.9 1_565 1_565 1_565 no
O4 N2 H10 105.4 1_565 1_565 1_565 no
N1 N2 N3 69.0(3) . . . ?
N1 N2 N3 157.8(2) . . . ?
N1 N2 N3 69.0(3) . . . ?
N1 N2 C1 33.0(3) . . . ?
N1 N2 C2 91.8(3) . . . ?
N1 N2 C3 60.9(2) . . . ?
N1 N2 C4 30.5(1) . . . ?
N1 N2 C6 125.0(2) . . . ?
N1 N2 C7 11.62(13) . . . ?
N1 N2 H1 71.6 . . . no
N1 N2 H1 115.4 . . . no
N1 N2 H1 115.4 . . . no
N1 N2 H4 147.8 . . . no
N1 N2 H5 120.1 . . . no
N1 N2 H5 120.1 . . . no
N1 N2 H5 97.2 . . . no
N1 N2 H5 97.2 . . . no
N1 N2 H10 150.4 . . . no
N3 N2 N3 115.1(6) . . . ?
N3 N2 N3 128.6(2) . . . ?
N3 N2 C1 80.3(2) . . . ?
N3 N2 C2 76.6(8) . . . ?
N3 N2 C3 67.2(8) . . . ?
N3 N2 C4 64.4(7) . . . ?
N3 N2 C6 90.4(5) . . . ?
N3 N2 C7 72.4(2) . . . ?
N3 N2 H1 69.9 . . . no
N3 N2 H1 49.3 . . . no
N3 N2 H1 167.0 . . . no
N3 N2 H4 100.0 . . . no
N3 N2 H5 74.7 . . . no
N3 N2 H5 102.9 . . . no
N3 N2 H5 66.7 . . . no
N3 N2 H5 146.6 . . . no
N3 N2 H10 115.6 . . . no
N3 N2 N3 115.1(6) 4_554 4_554 4_554 ?
N3 N2 C1 124.7(3) 4_554 4_554 4_554 ?
N3 N2 C2 110.4(3) 4_554 4_554 4_554 ?
N3 N2 C3 141.3(2) 4_554 4_554 4_554 ?
N3 N2 C4 171.7(2) 4_554 4_554 4_554 ?
N3 N2 C6 77.3(2) 4_554 4_554 4_554 ?
N3 N2 C7 146.1(2) 4_554 4_554 4_554 ?
N3 N2 H1 130.6 4_554 4_554 4_554 no
N3 N2 H1 65.9 4_554 4_554 4_554 no
N3 N2 H1 65.9 4_554 4_554 4_554 no
N3 N2 H4 54.4 4_554 4_554 4_554 no
N3 N2 H5 81.2 4_554 4_554 4_554 no
N3 N2 H5 81.2 4_554 4_554 4_554 no
N3 N2 H5 67.2 4_554 4_554 4_554 no
N3 N2 H5 67.2 4_554 4_554 4_554 no
N3 N2 H10 7.4 4_554 4_554 4_554 no
N3 N2 C1 80.3(2) 1_565 1_565 1_565 ?
N3 N2 C2 76.6(8) 1_565 1_565 1_565 ?
N3 N2 C3 67.2(8) 1_565 1_565 1_565 ?
N3 N2 C4 64.4(7) 1_565 1_565 1_565 ?
N3 N2 C6 90.4(5) 1_565 1_565 1_565 ?
N3 N2 C7 72.4(2) 1_565 1_565 1_565 ?
N3 N2 H1 69.9 1_565 1_565 1_565 no
N3 N2 H1 167.0 1_565 1_565 1_565 no
N3 N2 H1 49.3 1_565 1_565 1_565 no
N3 N2 H4 100.0 1_565 1_565 1_565 no
N3 N2 H5 102.9 1_565 1_565 1_565 no
N3 N2 H5 74.7 1_565 1_565 1_565 no
N3 N2 H5 146.6 1_565 1_565 1_565 no
N3 N2 H5 66.7 1_565 1_565 1_565 no
N3 N2 H10 115.6 1_565 1_565 1_565 no
C1 N2 C2 124.8(4) . . . ?
C1 N2 C3 93.9(3) . . . ?
C1 N2 C4 63.5(3) . . . ?
C1 N2 C6 158.0(4) . . . ?
C1 N2 C7 21.4(3) . . . ?
C1 N2 H1 104.6 . . . no
C1 N2 H1 110.1 . . . no
C1 N2 H1 110.1 . . . no
C1 N2 H4 179.2 . . . no
C1 N2 H5 150.3 . . . no
C1 N2 H5 150.3 . . . no
C1 N2 H5 73.3 . . . no
C1 N2 H5 73.3 . . . no
C1 N2 H10 117.4 . . . no
C2 N2 C3 30.9(3) . . . ?
C2 N2 C4 61.3(3) . . . ?
C2 N2 C6 33.2(3) . . . ?
C2 N2 C7 103.4(3) . . . ?
C2 N2 H1 20.2 . . . no
C2 N2 H1 90.9 . . . no
C2 N2 H1 90.9 . . . no
C2 N2 H4 56.0 . . . no
C2 N2 H5 33.1 . . . no
C2 N2 H5 33.1 . . . no
C2 N2 H5 135.7 . . . no
C2 N2 H5 135.7 . . . no
C2 N2 H10 117.8 . . . no
C3 N2 C4 30.4(2) . . . ?
C3 N2 C6 64.1(2) . . . ?
C3 N2 C7 72.5(2) . . . ?
C3 N2 H1 10.7 . . . no
C3 N2 H1 103.5 . . . no
C3 N2 H1 103.5 . . . no
C3 N2 H4 86.9 . . . no
C3 N2 H5 61.7 . . . no
C3 N2 H5 61.7 . . . no
C3 N2 H5 133.6 . . . no
C3 N2 H5 133.6 . . . no
C3 N2 H10 148.7 . . . no
C4 N2 C6 94.4(2) . . . ?
C4 N2 C7 42.1(2) . . . ?
C4 N2 H1 41.1 . . . no
C4 N2 H1 112.6 . . . no
C4 N2 H1 112.6 . . . no
C4 N2 H4 117.3 . . . no
C4 N2 H5 90.8 . . . no
C4 N2 H5 90.8 . . . no
C4 N2 H5 118.2 . . . no
C4 N2 H5 118.2 . . . no
C4 N2 H10 179.1 . . . no
C6 N2 C7 136.6(2) . . . ?
C6 N2 H1 53.3 . . . no
C6 N2 H1 77.2 . . . no
C6 N2 H1 77.2 . . . no
C6 N2 H4 22.8 . . . no
C6 N2 H5 16.1 . . . no
C6 N2 H5 16.1 . . . no
C6 N2 H5 121.2 . . . no
C6 N2 H5 121.2 . . . no
C6 N2 H10 84.7 . . . no
C7 N2 H1 83.3 . . . no
C7 N2 H1 114.5 . . . no
C7 N2 H1 114.5 . . . no
C7 N2 H4 159.4 . . . no
C7 N2 H5 131.0 . . . no
C7 N2 H5 131.0 . . . no
C7 N2 H5 88.7 . . . no
C7 N2 H5 88.7 . . . no
C7 N2 H10 138.7 . . . no
H1 N2 H1 99.4 . . . no
H1 N2 H1 99.4 . . . no
H1 N2 H4 76.2 . . . no
H1 N2 H5 51.5 . . . no
H1 N2 H5 51.5 . . . no
H1 N2 H5 136.2 . . . no
H1 N2 H5 136.2 . . . no
H1 N2 H10 138.0 . . . no
H1 N2 H1 129.0 4_554 4_554 4_554 no
H1 N2 H4 69.6 4_554 4_554 4_554 no
H1 N2 H5 64.2 4_554 4_554 4_554 no
H1 N2 H5 93.0 4_554 4_554 4_554 no
H1 N2 H5 46.3 4_554 4_554 4_554 no
H1 N2 H5 122.8 4_554 4_554 4_554 no
H1 N2 H10 67.2 4_554 4_554 4_554 no
H1 N2 H4 69.6 4_564 4_564 4_564 no
H1 N2 H5 93.0 4_564 4_564 4_564 no
H1 N2 H5 64.2 4_564 4_564 4_564 no
H1 N2 H5 122.8 4_564 4_564 4_564 no
H1 N2 H5 46.3 4_564 4_564 4_564 no
H1 N2 H10 67.2 4_564 4_564 4_564 no
H4 N2 H5 30.4 . . . no
H4 N2 H5 30.4 . . . no
H4 N2 H5 106.1 . . . no
H4 N2 H5 106.1 . . . no
H4 N2 H10 61.8 . . . no
H5 N2 H5 31.3 . . . no
H5 N2 H5 110.2 . . . no
H5 N2 H5 135.5 . . . no
H5 N2 H10 88.3 . . . no
H5 N2 H5 135.5 7 7 7 no
H5 N2 H5 110.2 7 7 7 no
H5 N2 H10 88.3 7 7 7 no
H5 N2 H5 86.2 4_554 4_554 4_554 no
H5 N2 H10 62.3 4_554 4_554 4_554 no
H5 N2 H10 62.3 6_554 6_554 6_554 no
O2 N3 O3 120.9(5) . . . ?
O2 N3 O4 120.2(5) . . . ?
O2 N3 N1 80.8(8) . . . ?
O2 N3 N1 80.8(8) . . . ?
O2 N3 N2 115.5(6) . . . ?
O2 N3 N2 80.4(3) . . . ?
O2 N3 N2 115.5(6) . . . ?
O2 N3 C1 103.5(7) . . . ?
O2 N3 C1 103.5(7) . . . ?
O2 N3 C2 105.7(8) . . . ?
O2 N3 C2 105.7(8) . . . ?
O2 N3 C3 83.0(7) . . . ?
O2 N3 C3 83.0(7) . . . ?
O2 N3 C4 70.0(7) . . . ?
O2 N3 C4 70.0(7) . . . ?
O2 N3 C6 43.9(3) . . . ?
O2 N3 H1 77.5 . . . no
O2 N3 H1 77.5 . . . no
O2 N3 H1 171.9 . . . no
O2 N3 H3 39.4 . . . no
O2 N3 H3 39.4 . . . no
O2 N3 H4 39.7 . . . no
O2 N3 H5 115.8 . . . no
O2 N3 H5 142.2 . . . no
O2 N3 H5 115.8 . . . no
O2 N3 H5 142.2 . . . no
O2 N3 H6 63.5 . . . no
O2 N3 H6 63.5 . . . no
O2 N3 H10 83.0 . . . no
O3 N3 O4 119.0(5) . . . ?
O3 N3 N1 76.8(9) . . . ?
O3 N3 N1 76.8(9) . . . ?
O3 N3 N2 74.6(8) . . . ?
O3 N3 N2 158.8(4) . . . ?
O3 N3 N2 74.6(8) . . . ?
O3 N3 C1 63.1(8) . . . ?
O3 N3 C1 63.1(8) . . . ?
O3 N3 C2 96.6(9) . . . ?
O3 N3 C2 96.6(9) . . . ?
O3 N3 C3 110.0(8) . . . ?
O3 N3 C3 110.0(8) . . . ?
O3 N3 C4 99.7(9) . . . ?
O3 N3 C4 99.7(9) . . . ?
O3 N3 C6 164.7(4) . . . ?
O3 N3 H1 125.4 . . . no
O3 N3 H1 125.4 . . . no
O3 N3 H1 67.2 . . . no
O3 N3 H3 108.2 . . . no
O3 N3 H3 108.2 . . . no
O3 N3 H4 160.6 . . . no
O3 N3 H5 110.7 . . . no
O3 N3 H5 25.9 . . . no
O3 N3 H5 110.7 . . . no
O3 N3 H5 25.9 . . . no
O3 N3 H6 61.9 . . . no
O3 N3 H6 61.9 . . . no
O3 N3 H10 156.2 . . . no
O4 N3 N1 113.05(13) . . . ?
O4 N3 N1 113.05(13) . . . ?
O4 N3 N2 80.2(2) . . . ?
O4 N3 N2 39.8(3) . . . ?
O4 N3 N2 80.2(2) . . . ?
O4 N3 C1 102.6(2) . . . ?
O4 N3 C1 102.6(2) . . . ?
O4 N3 C2 66.9(2) . . . ?
O4 N3 C2 66.9(2) . . . ?
O4 N3 C3 77.3(2) . . . ?
O4 N3 C3 77.3(2) . . . ?
O4 N3 C4 100.3(2) . . . ?
O4 N3 C4 100.3(2) . . . ?
O4 N3 C6 76.3(3) . . . ?
O4 N3 H1 68.7 . . . no
O4 N3 H1 68.7 . . . no
O4 N3 H1 51.8 . . . no
O4 N3 H3 118.2 . . . no
O4 N3 H3 118.2 . . . no
O4 N3 H4 80.5 . . . no
O4 N3 H5 36.8 . . . no
O4 N3 H5 95.7 . . . no
O4 N3 H5 36.8 . . . no
O4 N3 H5 95.7 . . . no
O4 N3 H6 158.2 . . . no
O4 N3 H6 158.2 . . . no
O4 N3 H10 37.2 . . . no
N1 N3 N1 133.6(2) . . . ?
N1 N3 N2 38.8(2) . . . ?
N1 N3 N2 109.2(7) . . . ?
N1 N3 N2 151.4(2) . . . ?
N1 N3 C1 22.7(2) . . . ?
N1 N3 C1 135.8(2) . . . ?
N1 N3 C2 46.25(10) . . . ?
N1 N3 C2 172.6(2) . . . ?
N1 N3 C3 40.18(12) . . . ?
N1 N3 C3 163.7(2) . . . ?
N1 N3 C4 22.93(10) . . . ?
N1 N3 C4 143.7(2) . . . ?
N1 N3 C6 97.8(9) . . . ?
N1 N3 H1 54.4 . . . no
N1 N3 H1 155.0 . . . no
N1 N3 H1 102.0 . . . no
N1 N3 H3 42.7 . . . no
N1 N3 H3 114.7 . . . no
N1 N3 H4 96.2 . . . no
N1 N3 H5 76.2 . . . no
N1 N3 H5 96.3 . . . no
N1 N3 H5 149.5 . . . no
N1 N3 H5 74.1 . . . no
N1 N3 H6 45.2 . . . no
N1 N3 H6 88.6 . . . no
N1 N3 H10 109.8 . . . no
N1 N3 N2 151.4(2) 1_545 1_545 1_545 ?
N1 N3 N2 109.2(7) 1_545 1_545 1_545 ?
N1 N3 N2 38.8(2) 1_545 1_545 1_545 ?
N1 N3 C1 135.8(2) 1_545 1_545 1_545 ?
N1 N3 C1 22.7(2) 1_545 1_545 1_545 ?
N1 N3 C2 172.6(2) 1_545 1_545 1_545 ?
N1 N3 C2 46.25(10) 1_545 1_545 1_545 ?
N1 N3 C3 163.7(2) 1_545 1_545 1_545 ?
N1 N3 C3 40.18(12) 1_545 1_545 1_545 ?
N1 N3 C4 143.7(2) 1_545 1_545 1_545 ?
N1 N3 C4 22.93(10) 1_545 1_545 1_545 ?
N1 N3 C6 97.8(9) 1_545 1_545 1_545 ?
N1 N3 H1 155.0 1_545 1_545 1_545 no
N1 N3 H1 54.4 1_545 1_545 1_545 no
N1 N3 H1 102.0 1_545 1_545 1_545 no
N1 N3 H3 114.7 1_545 1_545 1_545 no
N1 N3 H3 42.7 1_545 1_545 1_545 no
N1 N3 H4 96.2 1_545 1_545 1_545 no
N1 N3 H5 149.5 1_545 1_545 1_545 no
N1 N3 H5 74.1 1_545 1_545 1_545 no
N1 N3 H5 76.2 1_545 1_545 1_545 no
N1 N3 H5 96.3 1_545 1_545 1_545 no
N1 N3 H6 88.6 1_545 1_545 1_545 no
N1 N3 H6 45.2 1_545 1_545 1_545 no
N1 N3 H10 109.8 1_545 1_545 1_545 no
N2 N3 N2 97.1(6) . . . ?
N2 N3 N2 128.6(2) . . . ?
N2 N3 C1 22.4(2) . . . ?
N2 N3 C1 133.1(2) . . . ?
N2 N3 C2 22.15(13) . . . ?
N2 N3 C2 136.4(2) . . . ?
N2 N3 C3 39.12(12) . . . ?
N2 N3 C3 156.1(2) . . . ?
N2 N3 C4 45.60(12) . . . ?
N2 N3 C4 173.5(2) . . . ?
N2 N3 C6 110.3(8) . . . ?
N2 N3 H1 52.5 . . . no
N2 N3 H1 148.4 . . . no
N2 N3 H1 65.3 . . . no
N2 N3 H3 76.2 . . . no
N2 N3 H3 153.2 . . . no
N2 N3 H4 111.4 . . . no
N2 N3 H5 46.3 . . . no
N2 N3 H5 79.5 . . . no
N2 N3 H5 112.8 . . . no
N2 N3 H5 56.0 . . . no
N2 N3 H6 79.4 . . . no
N2 N3 H6 118.8 . . . no
N2 N3 H10 96.0 . . . no
N2 N3 N2 97.1(6) 4 4 4 ?
N2 N3 C1 114.9(6) 4 4 4 ?
N2 N3 C1 114.9(6) 4 4 4 ?
N2 N3 C2 75.7(7) 4 4 4 ?
N2 N3 C2 75.7(7) 4 4 4 ?
N2 N3 C3 70.1(6) 4 4 4 ?
N2 N3 C3 70.1(6) 4 4 4 ?
N2 N3 C4 87.2(7) 4 4 4 ?
N2 N3 C4 87.2(7) 4 4 4 ?
N2 N3 C6 36.49(11) 4 4 4 ?
N2 N3 H1 55.0 4 4 4 no
N2 N3 H1 55.0 4 4 4 no
N2 N3 H1 91.6 4 4 4 no
N2 N3 H3 88.1 4 4 4 no
N2 N3 H3 88.1 4 4 4 no
N2 N3 H4 40.6 4 4 4 no
N2 N3 H5 53.9 4 4 4 no
N2 N3 H5 134.4 4 4 4 no
N2 N3 H5 53.9 4 4 4 no
N2 N3 H5 134.4 4 4 4 no
N2 N3 H6 136.8 4 4 4 no
N2 N3 H6 136.8 4 4 4 no
N2 N3 H10 2.6 4 4 4 no
N2 N3 C1 133.1(2) 1_545 1_545 1_545 ?
N2 N3 C1 22.4(2) 1_545 1_545 1_545 ?
N2 N3 C2 136.4(2) 1_545 1_545 1_545 ?
N2 N3 C2 22.15(13) 1_545 1_545 1_545 ?
N2 N3 C3 156.1(2) 1_545 1_545 1_545 ?
N2 N3 C3 39.12(12) 1_545 1_545 1_545 ?
N2 N3 C4 173.5(2) 1_545 1_545 1_545 ?
N2 N3 C4 45.60(12) 1_545 1_545 1_545 ?
N2 N3 C6 110.3(8) 1_545 1_545 1_545 ?
N2 N3 H1 148.4 1_545 1_545 1_545 no
N2 N3 H1 52.5 1_545 1_545 1_545 no
N2 N3 H1 65.3 1_545 1_545 1_545 no
N2 N3 H3 153.2 1_545 1_545 1_545 no
N2 N3 H3 76.2 1_545 1_545 1_545 no
N2 N3 H4 111.4 1_545 1_545 1_545 no
N2 N3 H5 112.8 1_545 1_545 1_545 no
N2 N3 H5 56.0 1_545 1_545 1_545 no
N2 N3 H5 46.3 1_545 1_545 1_545 no
N2 N3 H5 79.5 1_545 1_545 1_545 no
N2 N3 H6 118.8 1_545 1_545 1_545 no
N2 N3 H6 79.4 1_545 1_545 1_545 no
N2 N3 H10 96.0 1_545 1_545 1_545 no
C1 N3 C1 126.2(2) . . . ?
C1 N3 C2 40.1(2) . . . ?
C1 N3 C2 150.3(2) . . . ?
C1 N3 C3 47.0(1) . . . ?
C1 N3 C3 172.2(2) . . . ?
C1 N3 C4 40.4(2) . . . ?
C1 N3 C4 156.1(2) . . . ?
C1 N3 C6 115.9(8) . . . ?
C1 N3 H1 62.6 . . . no
C1 N3 H1 169.8 . . . no
C1 N3 H1 79.9 . . . no
C1 N3 H3 65.4 . . . no
C1 N3 H3 134.5 . . . no
C1 N3 H4 115.3 . . . no
C1 N3 H5 68.0 . . . no
C1 N3 H5 77.2 . . . no
C1 N3 H5 133.9 . . . no
C1 N3 H5 53.6 . . . no
C1 N3 H6 57.2 . . . no
C1 N3 H6 96.7 . . . no
C1 N3 H10 114.4 . . . no
C1 N3 C2 150.3(2) 1_545 1_545 1_545 ?
C1 N3 C2 40.1(2) 1_545 1_545 1_545 ?
C1 N3 C3 172.2(2) 1_545 1_545 1_545 ?
C1 N3 C3 47.0(1) 1_545 1_545 1_545 ?
C1 N3 C4 156.1(2) 1_545 1_545 1_545 ?
C1 N3 C4 40.4(2) 1_545 1_545 1_545 ?
C1 N3 C6 115.9(8) 1_545 1_545 1_545 ?
C1 N3 H1 169.8 1_545 1_545 1_545 no
C1 N3 H1 62.6 1_545 1_545 1_545 no
C1 N3 H1 79.9 1_545 1_545 1_545 no
C1 N3 H3 134.5 1_545 1_545 1_545 no
C1 N3 H3 65.4 1_545 1_545 1_545 no
C1 N3 H4 115.3 1_545 1_545 1_545 no
C1 N3 H5 133.9 1_545 1_545 1_545 no
C1 N3 H5 53.6 1_545 1_545 1_545 no
C1 N3 H5 68.0 1_545 1_545 1_545 no
C1 N3 H5 77.2 1_545 1_545 1_545 no
C1 N3 H6 96.7 1_545 1_545 1_545 no
C1 N3 H6 57.2 1_545 1_545 1_545 no
C1 N3 H10 114.4 1_545 1_545 1_545 no
C2 N3 C2 132.6(2) . . . ?
C2 N3 C3 22.73(11) . . . ?
C2 N3 C3 142.7(2) . . . ?
C2 N3 C4 40.11(13) . . . ?
C2 N3 C4 162.9(2) . . . ?
C2 N3 C6 89.4(9) . . . ?
C2 N3 H1 32.4 . . . no
C2 N3 H1 129.7 . . . no
C2 N3 H1 71.9 . . . no
C2 N3 H3 70.4 . . . no
C2 N3 H3 144.4 . . . no
C2 N3 H4 91.1 . . . no
C2 N3 H5 30.0 . . . no
C2 N3 H5 98.5 . . . no
C2 N3 H5 103.3 . . . no
C2 N3 H5 76.4 . . . no
C2 N3 H6 91.4 . . . no
C2 N3 H6 134.5 . . . no
C2 N3 H10 74.9 . . . no
C2 N3 C3 142.7(2) 1_545 1_545 1_545 ?
C2 N3 C3 22.73(11) 1_545 1_545 1_545 ?
C2 N3 C4 162.9(2) 1_545 1_545 1_545 ?
C2 N3 C4 40.11(13) 1_545 1_545 1_545 ?
C2 N3 C6 89.4(9) 1_545 1_545 1_545 ?
C2 N3 H1 129.7 1_545 1_545 1_545 no
C2 N3 H1 32.4 1_545 1_545 1_545 no
C2 N3 H1 71.9 1_545 1_545 1_545 no
C2 N3 H3 144.4 1_545 1_545 1_545 no
C2 N3 H3 70.4 1_545 1_545 1_545 no
C2 N3 H4 91.1 1_545 1_545 1_545 no
C2 N3 H5 103.3 1_545 1_545 1_545 no
C2 N3 H5 76.4 1_545 1_545 1_545 no
C2 N3 H5 30.0 1_545 1_545 1_545 no
C2 N3 H5 98.5 1_545 1_545 1_545 no
C2 N3 H6 134.5 1_545 1_545 1_545 no
C2 N3 H6 91.4 1_545 1_545 1_545 no
C2 N3 H10 74.9 1_545 1_545 1_545 no
C3 N3 C3 139.4(2) . . . ?
C3 N3 C4 23.1(2) . . . ?
C3 N3 C4 147.4(2) . . . ?
C3 N3 C6 71.8(9) . . . ?
C3 N3 H1 15.6 . . . no
C3 N3 H1 123.8 . . . no
C3 N3 H1 94.3 . . . no
C3 N3 H3 49.5 . . . no
C3 N3 H3 121.7 . . . no
C3 N3 H4 72.5 . . . no
C3 N3 H5 43.3 . . . no
C3 N3 H5 118.6 . . . no
C3 N3 H5 113.3 . . . no
C3 N3 H5 95.0 . . . no
C3 N3 H6 82.2 . . . no
C3 N3 H6 123.9 . . . no
C3 N3 H10 70.3 . . . no
C3 N3 C4 147.4(2) 1_545 1_545 1_545 ?
C3 N3 C4 23.1(2) 1_545 1_545 1_545 ?
C3 N3 C6 71.8(9) 1_545 1_545 1_545 ?
C3 N3 H1 123.8 1_545 1_545 1_545 no
C3 N3 H1 15.6 1_545 1_545 1_545 no
C3 N3 H1 94.3 1_545 1_545 1_545 no
C3 N3 H3 121.7 1_545 1_545 1_545 no
C3 N3 H3 49.5 1_545 1_545 1_545 no
C3 N3 H4 72.5 1_545 1_545 1_545 no
C3 N3 H5 113.3 1_545 1_545 1_545 no
C3 N3 H5 95.0 1_545 1_545 1_545 no
C3 N3 H5 43.3 1_545 1_545 1_545 no
C3 N3 H5 118.6 1_545 1_545 1_545 no
C3 N3 H6 123.9 1_545 1_545 1_545 no
C3 N3 H6 82.2 1_545 1_545 1_545 no
C3 N3 H10 70.3 1_545 1_545 1_545 no
C4 N3 C4 139.9(2) . . . ?
C4 N3 C6 76.0(9) . . . ?
C4 N3 H1 33.8 . . . no
C4 N3 H1 133.7 . . . no
C4 N3 H1 109.9 . . . no
C4 N3 H3 31.3 . . . no
C4 N3 H3 108.9 . . . no
C4 N3 H4 75.0 . . . no
C4 N3 H5 66.0 . . . no
C4 N3 H5 117.5 . . . no
C4 N3 H5 135.8 . . . no
C4 N3 H5 94.0 . . . no
C4 N3 H6 59.6 . . . no
C4 N3 H6 100.8 . . . no
C4 N3 H10 88.1 . . . no
C4 N3 C6 76.0(9) 1_545 1_545 1_545 ?
C4 N3 H1 133.7 1_545 1_545 1_545 no
C4 N3 H1 33.8 1_545 1_545 1_545 no
C4 N3 H1 109.9 1_545 1_545 1_545 no
C4 N3 H3 108.9 1_545 1_545 1_545 no
C4 N3 H3 31.3 1_545 1_545 1_545 no
C4 N3 H4 75.0 1_545 1_545 1_545 no
C4 N3 H5 135.8 1_545 1_545 1_545 no
C4 N3 H5 94.0 1_545 1_545 1_545 no
C4 N3 H5 66.0 1_545 1_545 1_545 no
C4 N3 H5 117.5 1_545 1_545 1_545 no
C4 N3 H6 100.8 1_545 1_545 1_545 no
C4 N3 H6 59.6 1_545 1_545 1_545 no
C4 N3 H10 88.1 1_545 1_545 1_545 no
C6 N3 H1 57.7 4 4 4 no
C6 N3 H1 57.7 4 4 4 no
C6 N3 H1 128.1 4 4 4 no
C6 N3 H3 60.7 4 4 4 no
C6 N3 H3 60.7 4 4 4 no
C6 N3 H4 4.1 4 4 4 no
C6 N3 H5 81.3 4 4 4 no
C6 N3 H5 165.7 4 4 4 no
C6 N3 H5 81.3 4 4 4 no
C6 N3 H5 165.7 4 4 4 no
C6 N3 H6 104.1 4 4 4 no
C6 N3 H6 104.1 4 4 4 no
C6 N3 H10 39.1 4 4 4 no
H1 N3 H1 108.2 . . . no
H1 N3 H1 97.9 . . . no
H1 N3 H3 51.5 . . . no
H1 N3 H3 113.2 . . . no
H1 N3 H4 59.0 . . . no
H1 N3 H5 40.8 . . . no
H1 N3 H5 130.8 . . . no
H1 N3 H5 102.3 . . . no
H1 N3 H5 108.4 . . . no
H1 N3 H6 92.8 . . . no
H1 N3 H6 130.4 . . . no
H1 N3 H10 55.4 . . . no
H1 N3 H1 97.9 1_545 1_545 1_545 no
H1 N3 H3 113.2 1_545 1_545 1_545 no
H1 N3 H3 51.5 1_545 1_545 1_545 no
H1 N3 H4 59.0 1_545 1_545 1_545 no
H1 N3 H5 102.3 1_545 1_545 1_545 no
H1 N3 H5 108.4 1_545 1_545 1_545 no
H1 N3 H5 40.8 1_545 1_545 1_545 no
H1 N3 H5 130.8 1_545 1_545 1_545 no
H1 N3 H6 130.4 1_545 1_545 1_545 no
H1 N3 H6 92.8 1_545 1_545 1_545 no
H1 N3 H10 55.4 1_545 1_545 1_545 no
H1 N3 H3 141.2 4_554 4_554 4_554 no
H1 N3 H3 141.2 4_554 4_554 4_554 no
H1 N3 H4 132.2 4_554 4_554 4_554 no
H1 N3 H5 58.3 4_554 4_554 4_554 no
H1 N3 H5 45.4 4_554 4_554 4_554 no
H1 N3 H5 58.3 4_554 4_554 4_554 no
H1 N3 H5 45.4 4_554 4_554 4_554 no
H1 N3 H6 123.7 4_554 4_554 4_554 no
H1 N3 H6 123.7 4_554 4_554 4_554 no
H1 N3 H10 89.0 4_554 4_554 4_554 no
H3 N3 H3 77.7 . . . no
H3 N3 H4 57.8 . . . no
H3 N3 H5 91.5 . . . no
H3 N3 H5 133.3 . . . no
H3 N3 H5 141.0 . . . no
H3 N3 H5 115.1 . . . no
H3 N3 H6 49.0 . . . no
H3 N3 H6 78.9 . . . no
H3 N3 H10 90.1 . . . no
H3 N3 H4 57.8 7_545 7_545 7_545 no
H3 N3 H5 141.0 7_545 7_545 7_545 no
H3 N3 H5 115.1 7_545 7_545 7_545 no
H3 N3 H5 91.5 7_545 7_545 7_545 no
H3 N3 H5 133.3 7_545 7_545 7_545 no
H3 N3 H6 78.9 7_545 7_545 7_545 no
H3 N3 H6 49.0 7_545 7_545 7_545 no
H3 N3 H10 90.1 7_545 7_545 7_545 no
H4 N3 H5 84.6 4 4 4 no
H4 N3 H5 167.4 4 4 4 no
H4 N3 H5 84.6 4 4 4 no
H4 N3 H5 167.4 4 4 4 no
H4 N3 H6 100.3 4 4 4 no
H4 N3 H6 100.3 4 4 4 no
H4 N3 H10 43.3 4 4 4 no
H5 N3 H5 99.6 . . . no
H5 N3 H5 73.5 . . . no
H5 N3 H5 85.3 . . . no
H5 N3 H6 121.4 . . . no
H5 N3 H6 164.5 . . . no
H5 N3 H10 52.1 . . . no
H5 N3 H5 85.3 6_544 6_544 6_544 no
H5 N3 H5 24.1 6_544 6_544 6_544 no
H5 N3 H6 87.7 6_544 6_544 6_544 no
H5 N3 H6 78.8 6_544 6_544 6_544 no
H5 N3 H10 131.9 6_544 6_544 6_544 no
H5 N3 H5 99.6 7_545 7_545 7_545 no
H5 N3 H6 164.5 7_545 7_545 7_545 no
H5 N3 H6 121.4 7_545 7_545 7_545 no
H5 N3 H10 52.1 7_545 7_545 7_545 no
H5 N3 H6 78.8 4_554 4_554 4_554 no
H5 N3 H6 87.7 4_554 4_554 4_554 no
H5 N3 H10 131.9 4_554 4_554 4_554 no
H6 N3 H6 43.4 . . . no
H6 N3 H10 139.0 . . . no
H6 N3 H10 139.0 7_545 7_545 7_545 no
O1 C1 O3 97.4(9) . . . ?
O1 C1 O3 97.4(9) . . . ?
O1 C1 O4 73.6(3) . . . ?
O1 C1 N1 122.2(4) . . . ?
O1 C1 N2 123.6(5) . . . ?
O1 C1 N3 116.8(7) . . . ?
O1 C1 N3 116.8(7) . . . ?
O1 C1 C2 150.8(4) . . . ?
O1 C1 C3 180.0(4) . . . ?
O1 C1 C4 150.8(4) . . . ?
O1 C1 C5 139.2(4) . . . ?
O1 C1 C6 137.6(4) . . . ?
O1 C1 C7 89.9(3) . . . ?
O1 C1 C8 83.8(4) . . . ?
O1 C1 C8 83.8(4) . . . ?
O1 C1 H1 178.9 . . . no
O1 C1 H2 19.1 . . . no
O1 C1 H4 123.1 . . . no
O1 C1 H5 58.8 . . . no
O1 C1 H5 58.8 . . . no
O1 C1 H6 88.1 . . . no
O1 C1 H6 88.1 . . . no
O1 C1 H10 98.3 . . . no
O3 C1 O3 165.1(2) . . . ?
O3 C1 O4 92.7(7) . . . ?
O3 C1 N1 85.5(8) . . . ?
O3 C1 N2 86.4(2) . . . ?
O3 C1 N3 19.5(2) . . . ?
O3 C1 N3 145.6(3) . . . ?
O3 C1 C2 83.8(6) . . . ?
O3 C1 C3 82.6(9) . . . ?
O3 C1 C4 83.2(10) . . . ?
O3 C1 C5 84.0(10) . . . ?
O3 C1 C6 84.9(4) . . . ?
O3 C1 C7 89.4(4) . . . ?
O3 C1 C8 69.4(3) . . . ?
O3 C1 C8 111.1(3) . . . ?
O3 C1 H1 82.6 . . . no
O3 C1 H2 97.2 . . . no
O3 C1 H4 86.5 . . . no
O3 C1 H5 50.9 . . . no
O3 C1 H5 140.8 . . . no
O3 C1 H6 52.7 . . . no
O3 C1 H6 126.7 . . . no
O3 C1 H10 89.5 . . . no
O3 C1 O4 92.7(7) 1_565 1_565 1_565 ?
O3 C1 N1 85.5(8) 1_565 1_565 1_565 ?
O3 C1 N2 86.4(2) 1_565 1_565 1_565 ?
O3 C1 N3 145.6(3) 1_565 1_565 1_565 ?
O3 C1 N3 19.5(2) 1_565 1_565 1_565 ?
O3 C1 C2 83.8(6) 1_565 1_565 1_565 ?
O3 C1 C3 82.6(9) 1_565 1_565 1_565 ?
O3 C1 C4 83.2(10) 1_565 1_565 1_565 ?
O3 C1 C5 84.0(10) 1_565 1_565 1_565 ?
O3 C1 C6 84.9(4) 1_565 1_565 1_565 ?
O3 C1 C7 89.4(4) 1_565 1_565 1_565 ?
O3 C1 C8 111.1(3) 1_565 1_565 1_565 ?
O3 C1 C8 69.4(3) 1_565 1_565 1_565 ?
O3 C1 H1 82.6 1_565 1_565 1_565 no
O3 C1 H2 97.2 1_565 1_565 1_565 no
O3 C1 H4 86.5 1_565 1_565 1_565 no
O3 C1 H5 140.8 1_565 1_565 1_565 no
O3 C1 H5 50.9 1_565 1_565 1_565 no
O3 C1 H6 126.7 1_565 1_565 1_565 no
O3 C1 H6 52.7 1_565 1_565 1_565 no
O3 C1 H10 89.5 1_565 1_565 1_565 no
O4 C1 N1 164.1(3) 4_554 4_554 4_554 ?
O4 C1 N2 50.0(3) 4_554 4_554 4_554 ?
O4 C1 N3 99.2(6) 4_554 4_554 4_554 ?
O4 C1 N3 99.2(6) 4_554 4_554 4_554 ?
O4 C1 C2 77.2(2) 4_554 4_554 4_554 ?
O4 C1 C3 106.3(2) 4_554 4_554 4_554 ?
O4 C1 C4 135.5(2) 4_554 4_554 4_554 ?
O4 C1 C5 147.2(2) 4_554 4_554 4_554 ?
O4 C1 C6 63.97(13) 4_554 4_554 4_554 ?
O4 C1 C7 163.5(3) 4_554 4_554 4_554 ?
O4 C1 C8 149.2(3) 4_554 4_554 4_554 ?
O4 C1 C8 149.2(3) 4_554 4_554 4_554 ?
O4 C1 H1 105.3 4_554 4_554 4_554 no
O4 C1 H2 54.5 4_554 4_554 4_554 no
O4 C1 H4 49.4 4_554 4_554 4_554 no
O4 C1 H5 52.7 4_554 4_554 4_554 no
O4 C1 H5 52.7 4_554 4_554 4_554 no
O4 C1 H6 138.8 4_554 4_554 4_554 no
O4 C1 H6 138.8 4_554 4_554 4_554 no
O4 C1 H10 24.6 4_554 4_554 4_554 no
N1 C1 N2 114.2(5) . . . ?
N1 C1 N3 74.3(7) . . . ?
N1 C1 N3 74.3(7) . . . ?
N1 C1 C2 87.0(3) . . . ?
N1 C1 C3 57.8(3) . . . ?
N1 C1 C4 28.6(2) . . . ?
N1 C1 C5 16.9(2) . . . ?
N1 C1 C6 100.2(3) . . . ?
N1 C1 C7 32.4(2) . . . ?
N1 C1 C8 43.4(4) . . . ?
N1 C1 C8 43.4(4) . . . ?
N1 C1 H1 58.8 . . . no
N1 C1 H2 141.3 . . . no
N1 C1 H4 114.7 . . . no
N1 C1 H5 133.0 . . . no
N1 C1 H5 133.0 . . . no
N1 C1 H6 49.1 . . . no
N1 C1 H6 49.1 . . . no
N1 C1 H10 139.5 . . . no
N2 C1 N3 77.3(2) . . . ?
N2 C1 N3 77.3(2) . . . ?
N2 C1 C2 27.2(2) . . . ?
N2 C1 C3 56.4(3) . . . ?
N2 C1 C4 85.6(3) . . . ?
N2 C1 C5 97.2(3) . . . ?
N2 C1 C6 14.0(2) . . . ?
N2 C1 C7 146.6(4) . . . ?
N2 C1 C8 146.3(4) . . . ?
N2 C1 C8 146.3(4) . . . ?
N2 C1 H1 55.3 . . . no
N2 C1 H2 104.5 . . . no
N2 C1 H4 0.5 . . . no
N2 C1 H5 83.5 . . . no
N2 C1 H5 83.5 . . . no
N2 C1 H6 132.8 . . . no
N2 C1 H6 132.8 . . . no
N2 C1 H10 25.3 . . . no
N3 C1 N3 126.2(2) . . . ?
N3 C1 C2 67.9(4) . . . ?
N3 C1 C3 63.2(7) . . . ?
N3 C1 C4 65.7(8) . . . ?
N3 C1 C5 68.6(8) . . . ?
N3 C1 C6 72.0(3) . . . ?
N3 C1 C7 88.1(4) . . . ?
N3 C1 C8 72.4(3) . . . ?
N3 C1 C8 109.7(3) . . . ?
N3 C1 H1 63.2 . . . no
N3 C1 H2 116.0 . . . no
N3 C1 H4 77.5 . . . no
N3 C1 H5 67.6 . . . no
N3 C1 H5 151.9 . . . no
N3 C1 H6 56.3 . . . no
N3 C1 H6 121.9 . . . no
N3 C1 H10 88.3 . . . no
N3 C1 C2 67.9(4) 1_565 1_565 1_565 ?
N3 C1 C3 63.2(7) 1_565 1_565 1_565 ?
N3 C1 C4 65.7(8) 1_565 1_565 1_565 ?
N3 C1 C5 68.6(8) 1_565 1_565 1_565 ?
N3 C1 C6 72.0(3) 1_565 1_565 1_565 ?
N3 C1 C7 88.1(4) 1_565 1_565 1_565 ?
N3 C1 C8 109.7(3) 1_565 1_565 1_565 ?
N3 C1 C8 72.4(3) 1_565 1_565 1_565 ?
N3 C1 H1 63.2 1_565 1_565 1_565 no
N3 C1 H2 116.0 1_565 1_565 1_565 no
N3 C1 H4 77.5 1_565 1_565 1_565 no
N3 C1 H5 151.9 1_565 1_565 1_565 no
N3 C1 H5 67.6 1_565 1_565 1_565 no
N3 C1 H6 121.9 1_565 1_565 1_565 no
N3 C1 H6 56.3 1_565 1_565 1_565 no
N3 C1 H10 88.3 1_565 1_565 1_565 no
C2 C1 C3 29.2(2) . . . ?
C2 C1 C4 58.4(2) . . . ?
C2 C1 C5 70.0(2) . . . ?
C2 C1 C6 13.2(2) . . . ?
C2 C1 C7 119.3(3) . . . ?
C2 C1 C8 123.2(4) . . . ?
C2 C1 C8 123.2(4) . . . ?
C2 C1 H1 28.1 . . . no
C2 C1 H2 131.7 . . . no
C2 C1 H4 27.7 . . . no
C2 C1 H5 102.6 . . . no
C2 C1 H5 102.6 . . . no
C2 C1 H6 114.6 . . . no
C2 C1 H6 114.6 . . . no
C2 C1 H10 52.5 . . . no
C3 C1 C4 29.2(2) . . . ?
C3 C1 C5 40.9(2) . . . ?
C3 C1 C6 42.4(2) . . . ?
C3 C1 C7 90.2(2) . . . ?
C3 C1 C8 96.3(4) . . . ?
C3 C1 C8 96.3(4) . . . ?
C3 C1 H1 1.0 . . . no
C3 C1 H2 160.9 . . . no
C3 C1 H4 56.9 . . . no
C3 C1 H5 121.2 . . . no
C3 C1 H5 121.2 . . . no
C3 C1 H6 91.9 . . . no
C3 C1 H6 91.9 . . . no
C3 C1 H10 81.7 . . . no
C4 C1 C5 11.7(2) . . . ?
C4 C1 C6 71.6(2) . . . ?
C4 C1 C7 61.0(2) . . . ?
C4 C1 C8 69.1(4) . . . ?
C4 C1 C8 69.1(4) . . . ?
C4 C1 H1 30.2 . . . no
C4 C1 H2 169.9 . . . no
C4 C1 H4 86.1 . . . no
C4 C1 H5 133.3 . . . no
C4 C1 H5 133.3 . . . no
C4 C1 H6 69.0 . . . no
C4 C1 H6 69.0 . . . no
C4 C1 H10 110.9 . . . no
C5 C1 C6 83.2(2) . . . ?
C5 C1 C7 49.3(2) . . . ?
C5 C1 C8 58.4(4) . . . ?
C5 C1 C8 58.4(4) . . . ?
C5 C1 H1 41.9 . . . no
C5 C1 H2 158.3 . . . no
C5 C1 H4 97.8 . . . no
C5 C1 H5 134.8 . . . no
C5 C1 H5 134.8 . . . no
C5 C1 H6 60.4 . . . no
C5 C1 H6 60.4 . . . no
C5 C1 H10 122.6 . . . no
C6 C1 C7 132.5(3) . . . ?
C6 C1 C8 134.9(4) . . . ?
C6 C1 C8 134.9(4) . . . ?
C6 C1 H1 41.3 . . . no
C6 C1 H2 118.5 . . . no
C6 C1 H4 14.5 . . . no
C6 C1 H5 93.4 . . . no
C6 C1 H5 93.4 . . . no
C6 C1 H6 124.0 . . . no
C6 C1 H6 124.0 . . . no
C6 C1 H10 39.3 . . . no
C7 C1 C8 22.0(2) . . . ?
C7 C1 C8 22.0(2) . . . ?
C7 C1 H1 91.2 . . . no
C7 C1 H2 109.0 . . . no
C7 C1 H4 147.1 . . . no
C7 C1 H5 118.6 . . . no
C7 C1 H5 118.6 . . . no
C7 C1 H6 37.4 . . . no
C7 C1 H6 37.4 . . . no
C7 C1 H10 171.9 . . . no
C8 C1 C8 42.0(2) . . . ?
C8 C1 H1 97.2 . . . no
C8 C1 H2 101.6 . . . no
C8 C1 H4 146.7 . . . no
C8 C1 H5 97.7 . . . no
C8 C1 H5 130.0 . . . no
C8 C1 H6 16.8 . . . no
C8 C1 H6 58.5 . . . no
C8 C1 H10 158.9 . . . no
C8 C1 H1 97.2 7 7 7 no
C8 C1 H2 101.6 7 7 7 no
C8 C1 H4 146.7 7 7 7 no
C8 C1 H5 130.0 7 7 7 no
C8 C1 H5 97.7 7 7 7 no
C8 C1 H6 58.5 7 7 7 no
C8 C1 H6 16.8 7 7 7 no
C8 C1 H10 158.9 7 7 7 no
H1 C1 H2 159.8 . . . no
H1 C1 H4 55.9 . . . no
H1 C1 H5 120.6 . . . no
H1 C1 H5 120.6 . . . no
H1 C1 H6 92.7 . . . no
H1 C1 H6 92.7 . . . no
H1 C1 H10 80.7 . . . no
H2 C1 H4 104.0 1_554 1_554 1_554 no
H2 C1 H5 49.8 1_554 1_554 1_554 no
H2 C1 H5 49.8 1_554 1_554 1_554 no
H2 C1 H6 103.2 1_554 1_554 1_554 no
H2 C1 H6 103.2 1_554 1_554 1_554 no
H2 C1 H10 79.2 1_554 1_554 1_554 no
H4 C1 H5 83.1 . . . no
H4 C1 H5 83.1 . . . no
H4 C1 H6 133.1 . . . no
H4 C1 H6 133.1 . . . no
H4 C1 H10 24.8 . . . no
H5 C1 H5 90.2 4_554 4_554 4_554 no
H5 C1 H6 86.2 4_554 4_554 4_554 no
H5 C1 H6 142.6 4_554 4_554 4_554 no
H5 C1 H10 66.4 4_554 4_554 4_554 no
H5 C1 H6 142.6 6_554 6_554 6_554 no
H5 C1 H6 86.2 6_554 6_554 6_554 no
H5 C1 H10 66.4 6_554 6_554 6_554 no
H6 C1 H6 74.7 . . . no
H6 C1 H10 142.2 . . . no
H6 C1 H10 142.2 7 7 7 no
O1 C2 O2 79.1(6) . . . ?
O1 C2 O2 87.1(1) . . . ?
O1 C2 O2 79.1(6) . . . ?
O1 C2 O3 58.2(6) . . . ?
O1 C2 O3 172.3(2) . . . ?
O1 C2 O3 58.2(6) . . . ?
O1 C2 O4 91.8(7) . . . ?
O1 C2 O4 54.84(10) . . . ?
O1 C2 O4 91.8(7) . . . ?
O1 C2 N1 40.34(12) . . . ?
O1 C2 N2 18.2(2) . . . ?
O1 C2 N3 74.9(7) . . . ?
O1 C2 N3 74.9(7) . . . ?
O1 C2 C1 9.7(2) . . . ?
O1 C2 C3 100.2(3) . . . ?
O1 C2 C4 70.4(2) . . . ?
O1 C2 C5 81.7(1) . . . ?
O1 C2 C6 135.0(4) . . . ?
O1 C2 H1 128.9 . . . no
O1 C2 H1 76.9 . . . no
O1 C2 H1 76.9 . . . no
O1 C2 H2 95.9 . . . no
O1 C2 H4 108.3 . . . no
O1 C2 H5 140.3 . . . no
O1 C2 H5 140.3 . . . no
O1 C2 H10 43.8 . . . no
O1 C2 H10 118.5 . . . no
O1 C2 H10 118.5 . . . no
O2 C2 O2 124.2(6) . . . ?
O2 C2 O2 105.9(2) . . . ?
O2 C2 O3 31.32(10) . . . ?
O2 C2 O3 96.4(7) . . . ?
O2 C2 O3 118.7(3) . . . ?
O2 C2 O4 32.7(2) . . . ?
O2 C2 O4 111.0(8) . . . ?
O2 C2 O4 138.3(2) . . . ?
O2 C2 N1 59.0(2) . . . ?
O2 C2 N2 89.9(7) . . . ?
O2 C2 N3 17.2(2) . . . ?
O2 C2 N3 120.4(2) . . . ?
O2 C2 C1 73.5(6) . . . ?
O2 C2 C3 58.0(7) . . . ?
O2 C2 C4 53.0(3) . . . ?
O2 C2 C5 53.6(4) . . . ?
O2 C2 C6 122.6(2) . . . ?
O2 C2 H1 70.9 . . . no
O2 C2 H1 64.6 . . . no
O2 C2 H1 155.5 . . . no
O2 C2 H2 56.7 . . . no
O2 C2 H4 127.1 . . . no
O2 C2 H5 96.1 . . . no
O2 C2 H5 138.7 . . . no
O2 C2 H10 105.0 . . . no
O2 C2 H10 42.8 . . . no
O2 C2 H10 126.6 . . . no
O2 C2 O2 124.2(6) 4_554 4_554 4_554 ?
O2 C2 O3 97.2(7) 4_554 4_554 4_554 ?
O2 C2 O3 100.62(13) 4_554 4_554 4_554 ?
O2 C2 O3 97.2(7) 4_554 4_554 4_554 ?
O2 C2 O4 95.4(7) 4_554 4_554 4_554 ?
O2 C2 O4 32.21(9) 4_554 4_554 4_554 ?
O2 C2 O4 95.4(7) 4_554 4_554 4_554 ?
O2 C2 N1 127.4(2) 4_554 4_554 4_554 ?
O2 C2 N2 68.8(3) 4_554 4_554 4_554 ?
O2 C2 N3 107.0(7) 4_554 4_554 4_554 ?
O2 C2 N3 107.0(7) 4_554 4_554 4_554 ?
O2 C2 C1 96.8(2) 4_554 4_554 4_554 ?
O2 C2 C3 172.8(3) 4_554 4_554 4_554 ?
O2 C2 C4 157.4(2) 4_554 4_554 4_554 ?
O2 C2 C5 168.8(2) 4_554 4_554 4_554 ?
O2 C2 C6 48.0(3) 4_554 4_554 4_554 ?
O2 C2 H1 144.1 4_554 4_554 4_554 no
O2 C2 H1 59.6 4_554 4_554 4_554 no
O2 C2 H1 59.6 4_554 4_554 4_554 no
O2 C2 H2 177.0 4_554 4_554 4_554 no
O2 C2 H4 21.3 4_554 4_554 4_554 no
O2 C2 H5 63.0 4_554 4_554 4_554 no
O2 C2 H5 63.0 4_554 4_554 4_554 no
O2 C2 H10 43.3 4_554 4_554 4_554 no
O2 C2 H10 107.6 4_554 4_554 4_554 no
O2 C2 H10 107.6 4_554 4_554 4_554 no
O2 C2 O3 118.7(3) 1_565 1_565 1_565 ?
O2 C2 O3 96.4(7) 1_565 1_565 1_565 ?
O2 C2 O3 31.32(10) 1_565 1_565 1_565 ?
O2 C2 O4 138.3(2) 1_565 1_565 1_565 ?
O2 C2 O4 111.0(8) 1_565 1_565 1_565 ?
O2 C2 O4 32.7(2) 1_565 1_565 1_565 ?
O2 C2 N1 59.0(2) 1_565 1_565 1_565 ?
O2 C2 N2 89.9(7) 1_565 1_565 1_565 ?
O2 C2 N3 120.4(2) 1_565 1_565 1_565 ?
O2 C2 N3 17.2(2) 1_565 1_565 1_565 ?
O2 C2 C1 73.5(6) 1_565 1_565 1_565 ?
O2 C2 C3 58.0(7) 1_565 1_565 1_565 ?
O2 C2 C4 53.0(3) 1_565 1_565 1_565 ?
O2 C2 C5 53.6(4) 1_565 1_565 1_565 ?
O2 C2 C6 122.6(2) 1_565 1_565 1_565 ?
O2 C2 H1 70.9 1_565 1_565 1_565 no
O2 C2 H1 155.5 1_565 1_565 1_565 no
O2 C2 H1 64.6 1_565 1_565 1_565 no
O2 C2 H2 56.7 1_565 1_565 1_565 no
O2 C2 H4 127.1 1_565 1_565 1_565 no
O2 C2 H5 138.7 1_565 1_565 1_565 no
O2 C2 H5 96.1 1_565 1_565 1_565 no
O2 C2 H10 105.0 1_565 1_565 1_565 no
O2 C2 H10 126.6 1_565 1_565 1_565 no
O2 C2 H10 42.8 1_565 1_565 1_565 no
O3 C2 O3 120.1(7) . . . ?
O3 C2 O3 113.5(2) . . . ?
O3 C2 O4 33.9(2) . . . ?
O3 C2 O4 79.7(8) . . . ?
O3 C2 O4 146.5(2) . . . ?
O3 C2 N1 60.00(10) . . . ?
O3 C2 N2 63.1(7) . . . ?
O3 C2 N3 18.24(13) . . . ?
O3 C2 N3 125.6(2) . . . ?
O3 C2 C1 57.0(4) . . . ?
O3 C2 C3 86.7(7) . . . ?
O3 C2 C4 71.3(5) . . . ?
O3 C2 C5 76.9(6) . . . ?
O3 C2 C6 118.7(2) . . . ?
O3 C2 H1 102.2 . . . no
O3 C2 H1 41.8 . . . no
O3 C2 H1 131.2 . . . no
O3 C2 H2 84.4 . . . no
O3 C2 H4 108.1 . . . no
O3 C2 H5 98.2 . . . no
O3 C2 H5 144.9 . . . no
O3 C2 H10 74.1 . . . no
O3 C2 H10 60.8 . . . no
O3 C2 H10 155.0 . . . no
O3 C2 O3 120.1(7) 4 4 4 ?
O3 C2 O4 87.5(8) 4 4 4 ?
O3 C2 O4 132.8(2) 4 4 4 ?
O3 C2 O4 87.5(8) 4 4 4 ?
O3 C2 N1 132.0(2) 4 4 4 ?
O3 C2 N2 169.4(3) 4 4 4 ?
O3 C2 N3 102.6(8) 4 4 4 ?
O3 C2 N3 102.6(8) 4 4 4 ?
O3 C2 C1 162.6(3) 4 4 4 ?
O3 C2 C3 72.1(3) 4 4 4 ?
O3 C2 C4 102.0(2) 4 4 4 ?
O3 C2 C5 90.6(2) 4 4 4 ?
O3 C2 C6 52.7(3) 4 4 4 ?
O3 C2 H1 43.5 4 4 4 no
O3 C2 H1 106.9 4 4 4 no
O3 C2 H1 106.9 4 4 4 no
O3 C2 H2 76.4 4 4 4 no
O3 C2 H4 79.3 4 4 4 no
O3 C2 H5 45.9 4 4 4 no
O3 C2 H5 45.9 4 4 4 no
O3 C2 H10 143.9 4 4 4 no
O3 C2 H10 59.3 4 4 4 no
O3 C2 H10 59.3 4 4 4 no
O3 C2 O4 146.5(2) 1_565 1_565 1_565 ?
O3 C2 O4 79.7(8) 1_565 1_565 1_565 ?
O3 C2 O4 33.9(2) 1_565 1_565 1_565 ?
O3 C2 N1 60.00(10) 1_565 1_565 1_565 ?
O3 C2 N2 63.1(7) 1_565 1_565 1_565 ?
O3 C2 N3 125.6(2) 1_565 1_565 1_565 ?
O3 C2 N3 18.24(13) 1_565 1_565 1_565 ?
O3 C2 C1 57.0(4) 1_565 1_565 1_565 ?
O3 C2 C3 86.7(7) 1_565 1_565 1_565 ?
O3 C2 C4 71.3(5) 1_565 1_565 1_565 ?
O3 C2 C5 76.9(6) 1_565 1_565 1_565 ?
O3 C2 C6 118.7(2) 1_565 1_565 1_565 ?
O3 C2 H1 102.2 1_565 1_565 1_565 no
O3 C2 H1 131.2 1_565 1_565 1_565 no
O3 C2 H1 41.8 1_565 1_565 1_565 no
O3 C2 H2 84.4 1_565 1_565 1_565 no
O3 C2 H4 108.1 1_565 1_565 1_565 no
O3 C2 H5 144.9 1_565 1_565 1_565 no
O3 C2 H5 98.2 1_565 1_565 1_565 no
O3 C2 H10 74.1 1_565 1_565 1_565 no
O3 C2 H10 155.0 1_565 1_565 1_565 no
O3 C2 H10 60.8 1_565 1_565 1_565 no
O4 C2 O4 95.4(10) . . . ?
O4 C2 O4 168.7(2) . . . ?
O4 C2 N1 87.89(13) . . . ?
O4 C2 N2 93.4(9) . . . ?
O4 C2 N3 21.30(8) . . . ?
O4 C2 N3 153.0(2) . . . ?
O4 C2 C1 90.8(6) . . . ?
O4 C2 C3 84.4(8) . . . ?
O4 C2 C4 85.6(4) . . . ?
O4 C2 C5 85.0(6) . . . ?
O4 C2 C6 92.53(11) . . . ?
O4 C2 H1 84.7 . . . no
O4 C2 H1 38.6 . . . no
O4 C2 H1 152.6 . . . no
O4 C2 H2 84.5 . . . no
O4 C2 H4 94.5 . . . no
O4 C2 H5 67.7 . . . no
O4 C2 H5 115.1 . . . no
O4 C2 H10 95.0 . . . no
O4 C2 H10 29.5 . . . no
O4 C2 H10 142.1 . . . no
O4 C2 O4 95.4(10) 4_554 4_554 4_554 ?
O4 C2 N1 95.2(2) 4_554 4_554 4_554 ?
O4 C2 N2 36.6(2) 4_554 4_554 4_554 ?
O4 C2 N3 95.7(9) 4_554 4_554 4_554 ?
O4 C2 N3 95.7(9) 4_554 4_554 4_554 ?
O4 C2 C1 64.6(2) 4_554 4_554 4_554 ?
O4 C2 C3 155.0(3) 4_554 4_554 4_554 ?
O4 C2 C4 125.2(2) 4_554 4_554 4_554 ?
O4 C2 C5 136.6(2) 4_554 4_554 4_554 ?
O4 C2 C6 80.2(3) 4_554 4_554 4_554 ?
O4 C2 H1 176.3 4_554 4_554 4_554 no
O4 C2 H1 57.7 4_554 4_554 4_554 no
O4 C2 H1 57.7 4_554 4_554 4_554 no
O4 C2 H2 150.8 4_554 4_554 4_554 no
O4 C2 H4 53.5 4_554 4_554 4_554 no
O4 C2 H5 92.2 4_554 4_554 4_554 no
O4 C2 H5 92.2 4_554 4_554 4_554 no
O4 C2 H10 11.0 4_554 4_554 4_554 no
O4 C2 H10 120.1 4_554 4_554 4_554 no
O4 C2 H10 120.1 4_554 4_554 4_554 no
O4 C2 N1 87.89(13) 1_565 1_565 1_565 ?
O4 C2 N2 93.4(9) 1_565 1_565 1_565 ?
O4 C2 N3 153.0(2) 1_565 1_565 1_565 ?
O4 C2 N3 21.30(8) 1_565 1_565 1_565 ?
O4 C2 C1 90.8(6) 1_565 1_565 1_565 ?
O4 C2 C3 84.4(8) 1_565 1_565 1_565 ?
O4 C2 C4 85.6(4) 1_565 1_565 1_565 ?
O4 C2 C5 85.0(6) 1_565 1_565 1_565 ?
O4 C2 C6 92.53(11) 1_565 1_565 1_565 ?
O4 C2 H1 84.7 1_565 1_565 1_565 no
O4 C2 H1 152.6 1_565 1_565 1_565 no
O4 C2 H1 38.6 1_565 1_565 1_565 no
O4 C2 H2 84.5 1_565 1_565 1_565 no
O4 C2 H4 94.5 1_565 1_565 1_565 no
O4 C2 H5 115.1 1_565 1_565 1_565 no
O4 C2 H5 67.7 1_565 1_565 1_565 no
O4 C2 H10 95.0 1_565 1_565 1_565 no
O4 C2 H10 142.1 1_565 1_565 1_565 no
O4 C2 H10 29.5 1_565 1_565 1_565 no
N1 C2 N2 58.6(3) . . . ?
N1 C2 N3 66.62(13) . . . ?
N1 C2 N3 66.62(13) . . . ?
N1 C2 C1 30.6(1) . . . ?
N1 C2 C3 59.8(3) . . . ?
N1 C2 C4 30.0(1) . . . ?
N1 C2 C5 41.4(1) . . . ?
N1 C2 C6 175.4(4) . . . ?
N1 C2 H1 88.5 . . . no
N1 C2 H1 98.5 . . . no
N1 C2 H1 98.5 . . . no
N1 C2 H2 55.6 . . . no
N1 C2 H4 148.7 . . . no
N1 C2 H5 155.1 . . . no
N1 C2 H5 155.1 . . . no
N1 C2 H10 84.1 . . . no
N1 C2 H10 100.6 . . . no
N1 C2 H10 100.6 . . . no
N2 C2 N3 81.3(8) . . . ?
N2 C2 N3 81.3(8) . . . ?
N2 C2 C1 28.0(2) . . . ?
N2 C2 C3 118.4(4) . . . ?
N2 C2 C4 88.6(3) . . . ?
N2 C2 C5 100.0(3) . . . ?
N2 C2 C6 116.8(5) . . . ?
N2 C2 H1 147.1 . . . no
N2 C2 H1 68.3 . . . no
N2 C2 H1 68.3 . . . no
N2 C2 H2 114.2 . . . no
N2 C2 H4 90.1 . . . no
N2 C2 H5 125.2 . . . no
N2 C2 H5 125.2 . . . no
N2 C2 H10 25.6 . . . no
N2 C2 H10 122.7 . . . no
N2 C2 H10 122.7 . . . no
N3 C2 N3 132.6(2) . . . ?
N3 C2 C1 72.0(6) . . . ?
N3 C2 C3 75.2(8) . . . ?
N3 C2 C4 67.9(4) . . . ?
N3 C2 C5 70.1(6) . . . ?
N3 C2 C6 113.62(10) . . . ?
N3 C2 H1 85.7 . . . no
N3 C2 H1 47.5 . . . no
N3 C2 H1 149.4 . . . no
N3 C2 H2 73.9 . . . no
N3 C2 H4 111.9 . . . no
N3 C2 H5 89.0 . . . no
N3 C2 H5 136.2 . . . no
N3 C2 H10 91.3 . . . no
N3 C2 H10 43.7 . . . no
N3 C2 H10 143.4 . . . no
N3 C2 C1 72.0(6) 1_565 1_565 1_565 ?
N3 C2 C3 75.2(8) 1_565 1_565 1_565 ?
N3 C2 C4 67.9(4) 1_565 1_565 1_565 ?
N3 C2 C5 70.1(6) 1_565 1_565 1_565 ?
N3 C2 C6 113.62(10) 1_565 1_565 1_565 ?
N3 C2 H1 85.7 1_565 1_565 1_565 no
N3 C2 H1 149.4 1_565 1_565 1_565 no
N3 C2 H1 47.5 1_565 1_565 1_565 no
N3 C2 H2 73.9 1_565 1_565 1_565 no
N3 C2 H4 111.9 1_565 1_565 1_565 no
N3 C2 H5 136.2 1_565 1_565 1_565 no
N3 C2 H5 89.0 1_565 1_565 1_565 no
N3 C2 H10 91.3 1_565 1_565 1_565 no
N3 C2 H10 143.4 1_565 1_565 1_565 no
N3 C2 H10 43.7 1_565 1_565 1_565 no
C1 C2 C3 90.5(3) . . . ?
C1 C2 C4 60.6(2) . . . ?
C1 C2 C5 72.0(2) . . . ?
C1 C2 C6 144.7(4) . . . ?
C1 C2 H1 119.1 . . . no
C1 C2 H1 82.0 . . . no
C1 C2 H1 82.0 . . . no
C1 C2 H2 86.2 . . . no
C1 C2 H4 118.1 . . . no
C1 C2 H5 147.3 . . . no
C1 C2 H5 147.3 . . . no
C1 C2 H10 53.5 . . . no
C1 C2 H10 115.1 . . . no
C1 C2 H10 115.1 . . . no
C3 C2 C4 29.8(3) . . . ?
C3 C2 C5 18.5(3) . . . ?
C3 C2 C6 124.8(5) . . . ?
C3 C2 H1 28.7 . . . no
C3 C2 H1 121.8 . . . no
C3 C2 H1 121.8 . . . no
C3 C2 H2 4.3 . . . no
C3 C2 H4 151.5 . . . no
C3 C2 H5 110.5 . . . no
C3 C2 H5 110.5 . . . no
C3 C2 H10 144.0 . . . no
C3 C2 H10 69.0 . . . no
C3 C2 H10 69.0 . . . no
C4 C2 C5 11.3(2) . . . ?
C4 C2 C6 154.6(4) . . . ?
C4 C2 H1 58.5 . . . no
C4 C2 H1 113.0 . . . no
C4 C2 H1 113.0 . . . no
C4 C2 H2 25.6 . . . no
C4 C2 H4 178.7 . . . no
C4 C2 H5 136.4 . . . no
C4 C2 H5 136.4 . . . no
C4 C2 H10 114.2 . . . no
C4 C2 H10 84.2 . . . no
C4 C2 H10 84.2 . . . no
C5 C2 C6 143.3(4) . . . ?
C5 C2 H1 47.1 . . . no
C5 C2 H1 117.2 . . . no
C5 C2 H1 117.2 . . . no
C5 C2 H2 14.2 . . . no
C5 C2 H4 169.9 . . . no
C5 C2 H5 126.9 . . . no
C5 C2 H5 126.9 . . . no
C5 C2 H10 125.5 . . . no
C5 C2 H10 78.1 . . . no
C5 C2 H10 78.1 . . . no
C6 C2 H1 96.1 . . . no
C6 C2 H1 79.0 . . . no
C6 C2 H1 79.0 . . . no
C6 C2 H2 129.1 . . . no
C6 C2 H4 26.7 . . . no
C6 C2 H5 26.6 . . . no
C6 C2 H5 26.6 . . . no
C6 C2 H10 91.2 . . . no
C6 C2 H10 81.9 . . . no
C6 C2 H10 81.9 . . . no
H1 C2 H1 121.8 . . . no
H1 C2 H1 121.8 . . . no
H1 C2 H2 32.9 . . . no
H1 C2 H4 122.8 . . . no
H1 C2 H5 84.4 . . . no
H1 C2 H5 84.4 . . . no
H1 C2 H10 172.7 . . . no
H1 C2 H10 58.9 . . . no
H1 C2 H10 58.9 . . . no
H1 C2 H1 114.0 4_554 4_554 4_554 no
H1 C2 H2 121.1 4_554 4_554 4_554 no
H1 C2 H4 66.5 4_554 4_554 4_554 no
H1 C2 H5 65.8 4_554 4_554 4_554 no
H1 C2 H5 105.5 4_554 4_554 4_554 no
H1 C2 H10 59.6 4_554 4_554 4_554 no
H1 C2 H10 63.0 4_554 4_554 4_554 no
H1 C2 H10 160.8 4_554 4_554 4_554 no
H1 C2 H2 121.1 4_564 4_564 4_564 no
H1 C2 H4 66.5 4_564 4_564 4_564 no
H1 C2 H5 105.5 4_564 4_564 4_564 no
H1 C2 H5 65.8 4_564 4_564 4_564 no
H1 C2 H10 59.6 4_564 4_564 4_564 no
H1 C2 H10 160.8 4_564 4_564 4_564 no
H1 C2 H10 63.0 4_564 4_564 4_564 no
H2 C2 H4 155.7 . . . no
H2 C2 H5 114.4 . . . no
H2 C2 H5 114.4 . . . no
H2 C2 H10 139.7 . . . no
H2 C2 H10 71.0 . . . no
H2 C2 H10 71.0 . . . no
H4 C2 H5 44.6 . . . no
H4 C2 H5 44.6 . . . no
H4 C2 H10 64.6 . . . no
H4 C2 H10 96.5 . . . no
H4 C2 H10 96.5 . . . no
H5 C2 H5 47.7 . . . no
H5 C2 H10 102.3 . . . no
H5 C2 H10 55.5 . . . no
H5 C2 H10 96.1 . . . no
H5 C2 H10 102.3 7 7 7 no
H5 C2 H10 96.1 7 7 7 no
H5 C2 H10 55.5 7 7 7 no
H10 C2 H10 122.5 . . . no
H10 C2 H10 122.5 . . . no
H10 C2 H10 112.9 4 4 4 no
O2 C3 O2 133.3(2) . . . ?
O2 C3 O3 32.1(3) . . . ?
O2 C3 O3 110.0(5) . . . ?
O2 C3 O3 128.8(3) . . . ?
O2 C3 O4 36.89(11) . . . ?
O2 C3 O4 99.6(9) . . . ?
O2 C3 O4 160.8(2) . . . ?
O2 C3 N1 70.6(6) . . . ?
O2 C3 N2 91.1(9) . . . ?
O2 C3 N3 20.59(9) . . . ?
O2 C3 N3 141.8(2) . . . ?
O2 C3 C1 79.6(9) . . . ?
O2 C3 C2 102.6(8) . . . ?
O2 C3 C4 66.69(12) . . . ?
O2 C3 C5 69.5(5) . . . ?
O2 C3 C6 110.5(5) . . . ?
O2 C3 C7 68.5(4) . . . ?
O2 C3 H1 101.6 . . . no
O2 C3 H2 75.3 . . . no
O2 C3 H3 54.0 . . . no
O2 C3 H3 83.4 . . . no
O2 C3 H4 107.8 . . . no
O2 C3 H4 35.1 . . . no
O2 C3 H4 136.0 . . . no
O2 C3 H5 95.5 . . . no
O2 C3 H5 128.9 . . . no
O2 C3 H10 94.7 . . . no
O2 C3 H10 47.9 . . . no
O2 C3 H10 165.5 . . . no
O2 C3 O3 128.8(3) 1_565 1_565 1_565 ?
O2 C3 O3 110.0(5) 1_565 1_565 1_565 ?
O2 C3 O3 32.1(3) 1_565 1_565 1_565 ?
O2 C3 O4 160.8(2) 1_565 1_565 1_565 ?
O2 C3 O4 99.6(9) 1_565 1_565 1_565 ?
O2 C3 O4 36.89(11) 1_565 1_565 1_565 ?
O2 C3 N1 70.6(6) 1_565 1_565 1_565 ?
O2 C3 N2 91.1(9) 1_565 1_565 1_565 ?
O2 C3 N3 141.8(2) 1_565 1_565 1_565 ?
O2 C3 N3 20.59(9) 1_565 1_565 1_565 ?
O2 C3 C1 79.6(9) 1_565 1_565 1_565 ?
O2 C3 C2 102.6(8) 1_565 1_565 1_565 ?
O2 C3 C4 66.69(12) 1_565 1_565 1_565 ?
O2 C3 C5 69.5(5) 1_565 1_565 1_565 ?
O2 C3 C6 110.5(5) 1_565 1_565 1_565 ?
O2 C3 C7 68.5(4) 1_565 1_565 1_565 ?
O2 C3 H1 101.6 1_565 1_565 1_565 no
O2 C3 H2 75.3 1_565 1_565 1_565 no
O2 C3 H3 83.4 1_565 1_565 1_565 no
O2 C3 H3 54.0 1_565 1_565 1_565 no
O2 C3 H4 107.8 1_565 1_565 1_565 no
O2 C3 H4 136.0 1_565 1_565 1_565 no
O2 C3 H4 35.1 1_565 1_565 1_565 no
O2 C3 H5 128.9 1_565 1_565 1_565 no
O2 C3 H5 95.5 1_565 1_565 1_565 no
O2 C3 H10 94.7 1_565 1_565 1_565 no
O2 C3 H10 165.5 1_565 1_565 1_565 no
O2 C3 H10 47.9 1_565 1_565 1_565 no
O3 C3 O3 120.5(3) . . . ?
O3 C3 O3 106.7(2) . . . ?
O3 C3 O4 32.3(3) . . . ?
O3 C3 O4 126.6(6) . . . ?
O3 C3 O4 132.8(3) . . . ?
O3 C3 N1 58.6(3) . . . ?
O3 C3 N2 59.1(7) . . . ?
O3 C3 N3 16.5(2) . . . ?
O3 C3 N3 123.1(3) . . . ?
O3 C3 C1 53.4(6) . . . ?
O3 C3 C2 73.3(6) . . . ?
O3 C3 C4 72.2(2) . . . ?
O3 C3 C5 90.1(4) . . . ?
O3 C3 C6 90.0(4) . . . ?
O3 C3 C7 62.8(2) . . . ?
O3 C3 H1 126.6 . . . no
O3 C3 H2 103.0 . . . no
O3 C3 H3 75.5 . . . no
O3 C3 H3 99.3 . . . no
O3 C3 H4 83.0 . . . no
O3 C3 H4 64.8 . . . no
O3 C3 H4 156.6 . . . no
O3 C3 H5 82.6 . . . no
O3 C3 H5 109.7 . . . no
O3 C3 H10 62.6 . . . no
O3 C3 H10 61.4 . . . no
O3 C3 H10 162.3 . . . no
O3 C3 O3 120.5(3) 4 4 4 ?
O3 C3 O4 88.3(5) 4 4 4 ?
O3 C3 O4 34.49(10) 4 4 4 ?
O3 C3 O4 88.3(5) 4 4 4 ?
O3 C3 N1 177.4(2) 4 4 4 ?
O3 C3 N2 117.8(2) 4 4 4 ?
O3 C3 N3 108.1(4) 4 4 4 ?
O3 C3 N3 108.1(4) 4 4 4 ?
O3 C3 C1 147.5(2) 4 4 4 ?
O3 C3 C2 87.1(3) 4 4 4 ?
O3 C3 C4 152.5(4) 4 4 4 ?
O3 C3 C5 121.5(2) 4 4 4 ?
O3 C3 C6 58.3(2) 4 4 4 ?
O3 C3 C7 171.7(2) 4 4 4 ?
O3 C3 H1 28.9 4 4 4 no
O3 C3 H2 99.5 4 4 4 no
O3 C3 H3 124.7 4 4 4 no
O3 C3 H3 124.7 4 4 4 no
O3 C3 H4 70.0 4 4 4 no
O3 C3 H4 80.6 4 4 4 no
O3 C3 H4 80.6 4 4 4 no
O3 C3 H5 50.0 4 4 4 no
O3 C3 H5 50.0 4 4 4 no
O3 C3 H10 108.7 4 4 4 no
O3 C3 H10 63.2 4 4 4 no
O3 C3 H10 63.2 4 4 4 no
O3 C3 O4 132.8(3) 1_565 1_565 1_565 ?
O3 C3 O4 126.6(6) 1_565 1_565 1_565 ?
O3 C3 O4 32.3(3) 1_565 1_565 1_565 ?
O3 C3 N1 58.6(3) 1_565 1_565 1_565 ?
O3 C3 N2 59.1(7) 1_565 1_565 1_565 ?
O3 C3 N3 123.1(3) 1_565 1_565 1_565 ?
O3 C3 N3 16.5(2) 1_565 1_565 1_565 ?
O3 C3 C1 53.4(6) 1_565 1_565 1_565 ?
O3 C3 C2 73.3(6) 1_565 1_565 1_565 ?
O3 C3 C4 72.2(2) 1_565 1_565 1_565 ?
O3 C3 C5 90.1(4) 1_565 1_565 1_565 ?
O3 C3 C6 90.0(4) 1_565 1_565 1_565 ?
O3 C3 C7 62.8(2) 1_565 1_565 1_565 ?
O3 C3 H1 126.6 1_565 1_565 1_565 no
O3 C3 H2 103.0 1_565 1_565 1_565 no
O3 C3 H3 99.3 1_565 1_565 1_565 no
O3 C3 H3 75.5 1_565 1_565 1_565 no
O3 C3 H4 83.0 1_565 1_565 1_565 no
O3 C3 H4 156.6 1_565 1_565 1_565 no
O3 C3 H4 64.8 1_565 1_565 1_565 no
O3 C3 H5 109.7 1_565 1_565 1_565 no
O3 C3 H5 82.6 1_565 1_565 1_565 no
O3 C3 H10 62.6 1_565 1_565 1_565 no
O3 C3 H10 162.3 1_565 1_565 1_565 no
O3 C3 H10 61.4 1_565 1_565 1_565 no
O4 C3 O4 98.8(9) . . . ?
O4 C3 O4 143.6(2) . . . ?
O4 C3 N1 90.9(6) . . . ?
O4 C3 N2 74.8(9) . . . ?
O4 C3 N3 21.58(13) . . . ?
O4 C3 N3 148.4(2) . . . ?
O4 C3 C1 81.8(8) . . . ?
O4 C3 C2 71.8(8) . . . ?
O4 C3 C4 99.8(2) . . . ?
O4 C3 C5 106.3(4) . . . ?
O4 C3 C6 73.8(4) . . . ?
O4 C3 C7 94.2(4) . . . ?
O4 C3 H1 97.2 . . . no
O4 C3 H2 108.1 . . . no
O4 C3 H3 90.9 . . . no
O4 C3 H3 120.2 . . . no
O4 C3 H4 72.4 . . . no
O4 C3 H4 50.4 . . . no
O4 C3 H4 162.3 . . . no
O4 C3 H5 59.0 . . . no
O4 C3 H5 92.1 . . . no
O4 C3 H10 73.4 . . . no
O4 C3 H10 31.5 . . . no
O4 C3 H10 147.4 . . . no
O4 C3 O4 98.8(9) 4 4 4 ?
O4 C3 N1 148.1(2) 4 4 4 ?
O4 C3 N2 152.3(2) 4 4 4 ?
O4 C3 N3 110.1(8) 4 4 4 ?
O4 C3 N3 110.1(8) 4 4 4 ?
O4 C3 C1 178.0(2) 4 4 4 ?
O4 C3 C2 121.6(3) 4 4 4 ?
O4 C3 C4 118.0(4) 4 4 4 ?
O4 C3 C5 87.0(2) 4 4 4 ?
O4 C3 C6 92.8(2) 4 4 4 ?
O4 C3 C7 137.2(2) 4 4 4 ?
O4 C3 H1 5.6 4 4 4 no
O4 C3 H2 65.0 4 4 4 no
O4 C3 H3 91.6 4 4 4 no
O4 C3 H3 91.6 4 4 4 no
O4 C3 H4 104.5 4 4 4 no
O4 C3 H4 64.5 4 4 4 no
O4 C3 H4 64.5 4 4 4 no
O4 C3 H5 82.6 4 4 4 no
O4 C3 H5 82.6 4 4 4 no
O4 C3 H10 143.2 4 4 4 no
O4 C3 H10 67.3 4 4 4 no
O4 C3 H10 67.3 4 4 4 no
O4 C3 N1 90.9(6) 1_565 1_565 1_565 ?
O4 C3 N2 74.8(9) 1_565 1_565 1_565 ?
O4 C3 N3 148.4(2) 1_565 1_565 1_565 ?
O4 C3 N3 21.58(13) 1_565 1_565 1_565 ?
O4 C3 C1 81.8(8) 1_565 1_565 1_565 ?
O4 C3 C2 71.8(8) 1_565 1_565 1_565 ?
O4 C3 C4 99.8(2) 1_565 1_565 1_565 ?
O4 C3 C5 106.3(4) 1_565 1_565 1_565 ?
O4 C3 C6 73.8(4) 1_565 1_565 1_565 ?
O4 C3 C7 94.2(4) 1_565 1_565 1_565 ?
O4 C3 H1 97.2 1_565 1_565 1_565 no
O4 C3 H2 108.1 1_565 1_565 1_565 no
O4 C3 H3 120.2 1_565 1_565 1_565 no
O4 C3 H3 90.9 1_565 1_565 1_565 no
O4 C3 H4 72.4 1_565 1_565 1_565 no
O4 C3 H4 162.3 1_565 1_565 1_565 no
O4 C3 H4 50.4 1_565 1_565 1_565 no
O4 C3 H5 92.1 1_565 1_565 1_565 no
O4 C3 H5 59.0 1_565 1_565 1_565 no
O4 C3 H10 73.4 1_565 1_565 1_565 no
O4 C3 H10 147.4 1_565 1_565 1_565 no
O4 C3 H10 31.5 1_565 1_565 1_565 no
N1 C3 N2 59.6(2) . . . ?
N1 C3 N3 71.5(5) . . . ?
N1 C3 N3 71.5(5) . . . ?
N1 C3 C1 29.9(1) . . . ?
N1 C3 C2 90.3(3) . . . ?
N1 C3 C4 30.1(3) . . . ?
N1 C3 C5 61.1(2) . . . ?
N1 C3 C6 119.1(3) . . . ?
N1 C3 C7 10.92(13) . . . ?
N1 C3 H1 153.7 . . . no
N1 C3 H2 83.1 . . . no
N1 C3 H3 57.7 . . . no
N1 C3 H3 57.7 . . . no
N1 C3 H4 107.4 . . . no
N1 C3 H4 100.7 . . . no
N1 C3 H4 100.7 . . . no
N1 C3 H5 127.6 . . . no
N1 C3 H5 127.6 . . . no
N1 C3 H10 68.7 . . . no
N1 C3 H10 116.8 . . . no
N1 C3 H10 116.8 . . . no
N2 C3 N3 73.6(9) . . . ?
N2 C3 N3 73.6(9) . . . ?
N2 C3 C1 29.7(1) . . . ?
N2 C3 C2 30.7(2) . . . ?
N2 C3 C4 89.7(4) . . . ?
N2 C3 C5 120.7(3) . . . ?
N2 C3 C6 59.5(2) . . . ?
N2 C3 C7 70.6(2) . . . ?
N2 C3 H1 146.7 . . . no
N2 C3 H2 142.7 . . . no
N2 C3 H3 115.2 . . . no
N2 C3 H3 115.2 . . . no
N2 C3 H4 47.7 . . . no
N2 C3 H4 122.5 . . . no
N2 C3 H4 122.5 . . . no
N2 C3 H5 70.9 . . . no
N2 C3 H5 70.9 . . . no
N2 C3 H10 9.1 . . . no
N2 C3 H10 103.4 . . . no
N2 C3 H10 103.4 . . . no
N3 C3 N3 139.4(2) . . . ?
N3 C3 C1 69.8(8) . . . ?
N3 C3 C2 82.0(8) . . . ?
N3 C3 C4 78.2(1) . . . ?
N3 C3 C5 88.2(5) . . . ?
N3 C3 C6 91.8(5) . . . ?
N3 C3 C7 73.4(3) . . . ?
N3 C3 H1 110.3 . . . no
N3 C3 H2 95.8 . . . no
N3 C3 H3 72.7 . . . no
N3 C3 H3 100.6 . . . no
N3 C3 H4 87.8 . . . no
N3 C3 H4 49.2 . . . no
N3 C3 H4 156.4 . . . no
N3 C3 H5 79.5 . . . no
N3 C3 H5 111.2 . . . no
N3 C3 H10 75.8 . . . no
N3 C3 H10 46.1 . . . no
N3 C3 H10 168.8 . . . no
N3 C3 C1 69.8(8) 1_565 1_565 1_565 ?
N3 C3 C2 82.0(8) 1_565 1_565 1_565 ?
N3 C3 C4 78.2(1) 1_565 1_565 1_565 ?
N3 C3 C5 88.2(5) 1_565 1_565 1_565 ?
N3 C3 C6 91.8(5) 1_565 1_565 1_565 ?
N3 C3 C7 73.4(3) 1_565 1_565 1_565 ?
N3 C3 H1 110.3 1_565 1_565 1_565 no
N3 C3 H2 95.8 1_565 1_565 1_565 no
N3 C3 H3 100.6 1_565 1_565 1_565 no
N3 C3 H3 72.7 1_565 1_565 1_565 no
N3 C3 H4 87.8 1_565 1_565 1_565 no
N3 C3 H4 156.4 1_565 1_565 1_565 no
N3 C3 H4 49.2 1_565 1_565 1_565 no
N3 C3 H5 111.2 1_565 1_565 1_565 no
N3 C3 H5 79.5 1_565 1_565 1_565 no
N3 C3 H10 75.8 1_565 1_565 1_565 no
N3 C3 H10 168.8 1_565 1_565 1_565 no
N3 C3 H10 46.1 1_565 1_565 1_565 no
C1 C3 C2 60.4(3) . . . ?
C1 C3 C4 60.0(3) . . . ?
C1 C3 C5 91.0(2) . . . ?
C1 C3 C6 89.2(2) . . . ?
C1 C3 C7 40.9(1) . . . ?
C1 C3 H1 176.4 . . . no
C1 C3 H2 113.1 . . . no
C1 C3 H3 86.5 . . . no
C1 C3 H3 86.5 . . . no
C1 C3 H4 77.4 . . . no
C1 C3 H4 114.7 . . . no
C1 C3 H4 114.7 . . . no
C1 C3 H5 99.2 . . . no
C1 C3 H5 99.2 . . . no
C1 C3 H10 38.8 . . . no
C1 C3 H10 113.2 . . . no
C1 C3 H10 113.2 . . . no
C2 C3 C4 120.4(5) . . . ?
C2 C3 C5 151.4(4) . . . ?
C2 C3 C6 28.8(3) . . . ?
C2 C3 C7 101.2(3) . . . ?
C2 C3 H1 116.0 . . . no
C2 C3 H2 173.4 . . . no
C2 C3 H3 144.0 . . . no
C2 C3 H3 144.0 . . . no
C2 C3 H4 17.1 . . . no
C2 C3 H4 120.9 . . . no
C2 C3 H4 120.9 . . . no
C2 C3 H5 42.2 . . . no
C2 C3 H5 42.2 . . . no
C2 C3 H10 21.6 . . . no
C2 C3 H10 90.2 . . . no
C2 C3 H10 90.2 . . . no
C4 C3 C5 31.0(3) . . . ?
C4 C3 C6 149.2(4) . . . ?
C4 C3 C7 19.2(3) . . . ?
C4 C3 H1 123.6 . . . no
C4 C3 H2 53.0 . . . no
C4 C3 H3 30.0 . . . no
C4 C3 H3 30.0 . . . no
C4 C3 H4 137.5 . . . no
C4 C3 H4 84.4 . . . no
C4 C3 H4 84.4 . . . no
C4 C3 H5 153.9 . . . no
C4 C3 H5 153.9 . . . no
C4 C3 H10 98.8 . . . no
C4 C3 H10 112.8 . . . no
C4 C3 H10 112.8 . . . no
C5 C3 C6 179.8(3) . . . ?
C5 C3 C7 50.2(2) . . . ?
C5 C3 H1 92.6 . . . no
C5 C3 H2 22.0 . . . no
C5 C3 H3 15.6 . . . no
C5 C3 H3 15.6 . . . no
C5 C3 H4 168.5 . . . no
C5 C3 H4 68.9 . . . no
C5 C3 H4 68.9 . . . no
C5 C3 H5 160.1 . . . no
C5 C3 H5 160.1 . . . no
C5 C3 H10 129.9 . . . no
C5 C3 H10 102.3 . . . no
C5 C3 H10 102.3 . . . no
C6 C3 C7 130.0(2) . . . ?
C6 C3 H1 87.2 . . . no
C6 C3 H2 157.8 . . . no
C6 C3 H3 164.5 . . . no
C6 C3 H3 164.5 . . . no
C6 C3 H4 11.7 . . . no
C6 C3 H4 111.0 . . . no
C6 C3 H4 111.0 . . . no
C6 C3 H5 19.8 . . . no
C6 C3 H5 19.8 . . . no
C6 C3 H10 50.4 . . . no
C6 C3 H10 77.6 . . . no
C6 C3 H10 77.6 . . . no
C7 C3 H1 142.8 . . . no
C7 C3 H2 72.2 . . . no
C7 C3 H3 47.4 . . . no
C7 C3 H3 47.4 . . . no
C7 C3 H4 118.3 . . . no
C7 C3 H4 94.9 . . . no
C7 C3 H4 94.9 . . . no
C7 C3 H5 137.6 . . . no
C7 C3 H5 137.6 . . . no
C7 C3 H10 79.7 . . . no
C7 C3 H10 116.2 . . . no
C7 C3 H10 116.2 . . . no
H1 C3 H2 70.6 . . . no
H1 C3 H3 97.0 . . . no
H1 C3 H3 97.0 . . . no
H1 C3 H4 98.9 . . . no
H1 C3 H4 66.7 . . . no
H1 C3 H4 66.7 . . . no
H1 C3 H5 77.3 . . . no
H1 C3 H5 77.3 . . . no
H1 C3 H10 137.6 . . . no
H1 C3 H10 66.0 . . . no
H1 C3 H10 66.0 . . . no
H2 C3 H3 30.2 . . . no
H2 C3 H3 30.2 . . . no
H2 C3 H4 169.5 . . . no
H2 C3 H4 60.8 . . . no
H2 C3 H4 60.8 . . . no
H2 C3 H5 143.6 . . . no
H2 C3 H5 143.6 . . . no
H2 C3 H10 151.9 . . . no
H2 C3 H10 92.8 . . . no
H2 C3 H10 92.8 . . . no
H3 C3 H3 29.8 . . . no
H3 C3 H4 158.2 . . . no
H3 C3 H4 58.0 . . . no
H3 C3 H4 84.3 . . . no
H3 C3 H5 147.7 . . . no
H3 C3 H5 173.8 . . . no
H3 C3 H10 123.9 . . . no
H3 C3 H10 90.4 . . . no
H3 C3 H10 117.8 . . . no
H3 C3 H4 158.2 7 7 7 no
H3 C3 H4 84.3 7 7 7 no
H3 C3 H4 58.0 7 7 7 no
H3 C3 H5 173.8 7 7 7 no
H3 C3 H5 147.7 7 7 7 no
H3 C3 H10 123.9 7 7 7 no
H3 C3 H10 117.8 7 7 7 no
H3 C3 H10 90.4 7 7 7 no
H4 C3 H4 115.8 . . . no
H4 C3 H4 115.8 . . . no
H4 C3 H5 27.6 . . . no
H4 C3 H5 27.6 . . . no
H4 C3 H10 38.6 . . . no
H4 C3 H10 82.5 . . . no
H4 C3 H10 82.5 . . . no
H4 C3 H4 113.7 4 4 4 no
H4 C3 H5 91.3 4 4 4 no
H4 C3 H5 120.5 4 4 4 no
H4 C3 H10 123.2 4 4 4 no
H4 C3 H10 33.5 4 4 4 no
H4 C3 H10 131.3 4 4 4 no
H4 C3 H5 120.5 4_565 4_565 4_565 no
H4 C3 H5 91.3 4_565 4_565 4_565 no
H4 C3 H10 123.2 4_565 4_565 4_565 no
H4 C3 H10 131.3 4_565 4_565 4_565 no
H4 C3 H10 33.5 4_565 4_565 4_565 no
H5 C3 H5 33.7 . . . no
H5 C3 H10 62.2 . . . no
H5 C3 H10 58.0 . . . no
H5 C3 H10 89.3 . . . no
H5 C3 H10 62.2 7 7 7 no
H5 C3 H10 89.3 7 7 7 no
H5 C3 H10 58.0 7 7 7 no
H10 C3 H10 99.7 . . . no
H10 C3 H10 99.7 . . . no
H10 C3 H10 126.4 4 4 4 no
O1 C4 O2 91.2(10) . . . ?
O1 C4 O2 91.2(10) . . . ?
O1 C4 O3 58.5(7) . . . ?
O1 C4 O3 58.5(7) . . . ?
O1 C4 O4 82.3(8) . . . ?
O1 C4 O4 82.3(8) . . . ?
O1 C4 N1 19.4(2) . . . ?
O1 C4 N2 40.62(13) . . . ?
O1 C4 N3 76.1(9) . . . ?
O1 C4 N3 76.1(9) . . . ?
O1 C4 C1 9.7(1) . . . ?
O1 C4 C2 70.7(2) . . . ?
O1 C4 C3 100.5(3) . . . ?
O1 C4 C5 139.1(4) . . . ?
O1 C4 C6 80.4(2) . . . ?
O1 C4 C7 49.8(2) . . . ?
O1 C4 C8 58.4(4) . . . ?
O1 C4 C8 58.4(4) . . . ?
O1 C4 H1 125.9 . . . no
O1 C4 H2 165.6 . . . no
O1 C4 H3 121.9 . . . no
O1 C4 H3 121.9 . . . no
O1 C4 H4 124.1 . . . no
O1 C4 H4 124.1 . . . no
O1 C4 H6 60.7 . . . no
O1 C4 H6 60.7 . . . no
O1 C4 H10 40.9 . . . no
O2 C4 O2 177.4(2) . . . ?
O2 C4 O3 33.9(3) . . . ?
O2 C4 O3 148.6(3) . . . ?
O2 C4 O4 34.4(1) . . . ?
O2 C4 O4 147.1(2) . . . ?
O2 C4 N1 91.0(9) . . . ?
O2 C4 N2 91.2(8) . . . ?
O2 C4 N3 21.25(12) . . . ?
O2 C4 N3 161.1(2) . . . ?
O2 C4 C1 91.3(10) . . . ?
O2 C4 C2 90.9(5) . . . ?
O2 C4 C3 90.3(1) . . . ?
O2 C4 C5 88.8(8) . . . ?
O2 C4 C6 90.7(3) . . . ?
O2 C4 C7 90.4(6) . . . ?
O2 C4 C8 69.5(4) . . . ?
O2 C4 C8 111.0(4) . . . ?
O2 C4 H1 89.7 . . . no
O2 C4 H2 88.7 . . . no
O2 C4 H3 65.8 . . . no
O2 C4 H3 112.1 . . . no
O2 C4 H4 34.5 . . . no
O2 C4 H4 143.4 . . . no
O2 C4 H6 53.3 . . . no
O2 C4 H6 127.4 . . . no
O2 C4 H10 91.2 . . . no
O2 C4 O3 148.6(3) 1_565 1_565 1_565 ?
O2 C4 O3 33.9(3) 1_565 1_565 1_565 ?
O2 C4 O4 147.1(2) 1_565 1_565 1_565 ?
O2 C4 O4 34.4(1) 1_565 1_565 1_565 ?
O2 C4 N1 91.0(9) 1_565 1_565 1_565 ?
O2 C4 N2 91.2(8) 1_565 1_565 1_565 ?
O2 C4 N3 161.1(2) 1_565 1_565 1_565 ?
O2 C4 N3 21.25(12) 1_565 1_565 1_565 ?
O2 C4 C1 91.3(10) 1_565 1_565 1_565 ?
O2 C4 C2 90.9(5) 1_565 1_565 1_565 ?
O2 C4 C3 90.3(1) 1_565 1_565 1_565 ?
O2 C4 C5 88.8(8) 1_565 1_565 1_565 ?
O2 C4 C6 90.7(3) 1_565 1_565 1_565 ?
O2 C4 C7 90.4(6) 1_565 1_565 1_565 ?
O2 C4 C8 111.0(4) 1_565 1_565 1_565 ?
O2 C4 C8 69.5(4) 1_565 1_565 1_565 ?
O2 C4 H1 89.7 1_565 1_565 1_565 no
O2 C4 H2 88.7 1_565 1_565 1_565 no
O2 C4 H3 112.1 1_565 1_565 1_565 no
O2 C4 H3 65.8 1_565 1_565 1_565 no
O2 C4 H4 143.4 1_565 1_565 1_565 no
O2 C4 H4 34.5 1_565 1_565 1_565 no
O2 C4 H6 127.4 1_565 1_565 1_565 no
O2 C4 H6 53.3 1_565 1_565 1_565 no
O2 C4 H10 91.2 1_565 1_565 1_565 no
O3 C4 O3 114.7(2) . . . ?
O3 C4 O4 32.4(2) . . . ?
O3 C4 O4 123.9(2) . . . ?
O3 C4 N1 63.4(6) . . . ?
O3 C4 N2 61.0(6) . . . ?
O3 C4 N3 18.2(2) . . . ?
O3 C4 N3 129.2(3) . . . ?
O3 C4 C1 57.5(7) . . . ?
O3 C4 C2 72.5(3) . . . ?
O3 C4 C3 87.8(2) . . . ?
O3 C4 C5 118.9(6) . . . ?
O3 C4 C6 77.3(2) . . . ?
O3 C4 C7 76.5(4) . . . ?
O3 C4 C8 62.2(3) . . . ?
O3 C4 C8 97.4(3) . . . ?
O3 C4 H1 101.3 . . . no
O3 C4 H2 122.6 . . . no
O3 C4 H3 92.7 . . . no
O3 C4 H3 135.2 . . . no
O3 C4 H4 65.6 . . . no
O3 C4 H4 163.1 . . . no
O3 C4 H6 47.4 . . . no
O3 C4 H6 109.7 . . . no
O3 C4 H10 61.1 . . . no
O3 C4 O4 123.9(2) 1_565 1_565 1_565 ?
O3 C4 O4 32.4(2) 1_565 1_565 1_565 ?
O3 C4 N1 63.4(6) 1_565 1_565 1_565 ?
O3 C4 N2 61.0(6) 1_565 1_565 1_565 ?
O3 C4 N3 129.2(3) 1_565 1_565 1_565 ?
O3 C4 N3 18.2(2) 1_565 1_565 1_565 ?
O3 C4 C1 57.5(7) 1_565 1_565 1_565 ?
O3 C4 C2 72.5(3) 1_565 1_565 1_565 ?
O3 C4 C3 87.8(2) 1_565 1_565 1_565 ?
O3 C4 C5 118.9(6) 1_565 1_565 1_565 ?
O3 C4 C6 77.3(2) 1_565 1_565 1_565 ?
O3 C4 C7 76.5(4) 1_565 1_565 1_565 ?
O3 C4 C8 97.4(3) 1_565 1_565 1_565 ?
O3 C4 C8 62.2(3) 1_565 1_565 1_565 ?
O3 C4 H1 101.3 1_565 1_565 1_565 no
O3 C4 H2 122.6 1_565 1_565 1_565 no
O3 C4 H3 135.2 1_565 1_565 1_565 no
O3 C4 H3 92.7 1_565 1_565 1_565 no
O3 C4 H4 163.1 1_565 1_565 1_565 no
O3 C4 H4 65.6 1_565 1_565 1_565 no
O3 C4 H6 109.7 1_565 1_565 1_565 no
O3 C4 H6 47.4 1_565 1_565 1_565 no
O3 C4 H10 61.1 1_565 1_565 1_565 no
O4 C4 O4 112.8(2) . . . ?
O4 C4 N1 93.0(8) . . . ?
O4 C4 N2 63.1(7) . . . ?
O4 C4 N3 18.98(9) . . . ?
O4 C4 N3 128.2(2) . . . ?
O4 C4 C1 77.1(8) . . . ?
O4 C4 C2 56.5(3) . . . ?
O4 C4 C3 59.8(2) . . . ?
O4 C4 C5 116.9(7) . . . ?
O4 C4 C6 56.5(2) . . . ?
O4 C4 C7 108.9(6) . . . ?
O4 C4 C8 92.9(5) . . . ?
O4 C4 C8 129.8(4) . . . ?
O4 C4 H1 69.1 . . . no
O4 C4 H2 105.3 . . . no
O4 C4 H3 98.5 . . . no
O4 C4 H3 143.4 . . . no
O4 C4 H4 46.8 . . . no
O4 C4 H4 132.1 . . . no
O4 C4 H6 76.8 . . . no
O4 C4 H6 140.8 . . . no
O4 C4 H10 63.1 . . . no
O4 C4 N1 93.0(8) 1_565 1_565 1_565 ?
O4 C4 N2 63.1(7) 1_565 1_565 1_565 ?
O4 C4 N3 128.2(2) 1_565 1_565 1_565 ?
O4 C4 N3 18.98(9) 1_565 1_565 1_565 ?
O4 C4 C1 77.1(8) 1_565 1_565 1_565 ?
O4 C4 C2 56.5(3) 1_565 1_565 1_565 ?
O4 C4 C3 59.8(2) 1_565 1_565 1_565 ?
O4 C4 C5 116.9(7) 1_565 1_565 1_565 ?
O4 C4 C6 56.5(2) 1_565 1_565 1_565 ?
O4 C4 C7 108.9(6) 1_565 1_565 1_565 ?
O4 C4 C8 129.8(4) 1_565 1_565 1_565 ?
O4 C4 C8 92.9(5) 1_565 1_565 1_565 ?
O4 C4 H1 69.1 1_565 1_565 1_565 no
O4 C4 H2 105.3 1_565 1_565 1_565 no
O4 C4 H3 143.4 1_565 1_565 1_565 no
O4 C4 H3 98.5 1_565 1_565 1_565 no
O4 C4 H4 132.1 1_565 1_565 1_565 no
O4 C4 H4 46.8 1_565 1_565 1_565 no
O4 C4 H6 140.8 1_565 1_565 1_565 no
O4 C4 H6 76.8 1_565 1_565 1_565 no
O4 C4 H10 63.1 1_565 1_565 1_565 no
N1 C4 N2 60.1(3) . . . ?
N1 C4 N3 81.6(8) . . . ?
N1 C4 N3 81.6(8) . . . ?
N1 C4 C1 29.2(2) . . . ?
N1 C4 C2 90.2(3) . . . ?
N1 C4 C3 119.9(5) . . . ?
N1 C4 C5 119.7(5) . . . ?
N1 C4 C6 99.9(3) . . . ?
N1 C4 C7 30.4(2) . . . ?
N1 C4 C8 41.2(4) . . . ?
N1 C4 C8 41.2(4) . . . ?
N1 C4 H1 145.3 . . . no
N1 C4 H2 146.1 . . . no
N1 C4 H3 104.4 . . . no
N1 C4 H3 104.4 . . . no
N1 C4 H4 125.4 . . . no
N1 C4 H4 125.4 . . . no
N1 C4 H6 47.8 . . . no
N1 C4 H6 47.8 . . . no
N1 C4 H10 60.3 . . . no
N2 C4 N3 70.0(7) . . . ?
N2 C4 N3 70.0(7) . . . ?
N2 C4 C1 30.9(1) . . . ?
N2 C4 C2 30.1(2) . . . ?
N2 C4 C3 59.9(3) . . . ?
N2 C4 C5 179.7(4) . . . ?
N2 C4 C6 39.8(1) . . . ?
N2 C4 C7 90.4(2) . . . ?
N2 C4 C8 96.1(4) . . . ?
N2 C4 C8 96.1(4) . . . ?
N2 C4 H1 85.2 . . . no
N2 C4 H2 153.8 . . . no
N2 C4 H3 153.0 . . . no
N2 C4 H3 153.0 . . . no
N2 C4 H4 109.0 . . . no
N2 C4 H4 109.0 . . . no
N2 C4 H6 92.2 . . . no
N2 C4 H6 92.2 . . . no
N2 C4 H10 0.2 . . . no
N3 C4 N3 139.9(2) . . . ?
N3 C4 C1 73.8(9) . . . ?
N3 C4 C2 72.0(4) . . . ?
N3 C4 C3 78.7(2) . . . ?
N3 C4 C5 110.0(7) . . . ?
N3 C4 C6 73.7(2) . . . ?
N3 C4 C7 91.8(6) . . . ?
N3 C4 C8 74.3(4) . . . ?
N3 C4 C8 113.3(4) . . . ?
N3 C4 H1 86.8 . . . no
N3 C4 H2 107.1 . . . no
N3 C4 H3 86.6 . . . no
N3 C4 H3 132.9 . . . no
N3 C4 H4 48.2 . . . no
N3 C4 H4 149.5 . . . no
N3 C4 H6 58.0 . . . no
N3 C4 H6 127.0 . . . no
N3 C4 H10 70.0 . . . no
N3 C4 C1 73.8(9) 1_565 1_565 1_565 ?
N3 C4 C2 72.0(4) 1_565 1_565 1_565 ?
N3 C4 C3 78.7(2) 1_565 1_565 1_565 ?
N3 C4 C5 110.0(7) 1_565 1_565 1_565 ?
N3 C4 C6 73.7(2) 1_565 1_565 1_565 ?
N3 C4 C7 91.8(6) 1_565 1_565 1_565 ?
N3 C4 C8 113.3(4) 1_565 1_565 1_565 ?
N3 C4 C8 74.3(4) 1_565 1_565 1_565 ?
N3 C4 H1 86.8 1_565 1_565 1_565 no
N3 C4 H2 107.1 1_565 1_565 1_565 no
N3 C4 H3 132.9 1_565 1_565 1_565 no
N3 C4 H3 86.6 1_565 1_565 1_565 no
N3 C4 H4 149.5 1_565 1_565 1_565 no
N3 C4 H4 48.2 1_565 1_565 1_565 no
N3 C4 H6 127.0 1_565 1_565 1_565 no
N3 C4 H6 58.0 1_565 1_565 1_565 no
N3 C4 H10 70.0 1_565 1_565 1_565 no
C1 C4 C2 61.0(2) . . . ?
C1 C4 C3 90.8(4) . . . ?
C1 C4 C5 148.9(4) . . . ?
C1 C4 C6 70.7(2) . . . ?
C1 C4 C7 59.6(2) . . . ?
C1 C4 C8 67.3(4) . . . ?
C1 C4 C8 67.3(4) . . . ?
C1 C4 H1 116.1 . . . no
C1 C4 H2 175.3 . . . no
C1 C4 H3 130.4 . . . no
C1 C4 H3 130.4 . . . no
C1 C4 H4 121.8 . . . no
C1 C4 H4 121.8 . . . no
C1 C4 H6 67.9 . . . no
C1 C4 H6 67.9 . . . no
C1 C4 H10 31.1 . . . no
C2 C4 C3 29.8(3) . . . ?
C2 C4 C5 150.2(4) . . . ?
C2 C4 C6 9.7(2) . . . ?
C2 C4 C7 120.5(3) . . . ?
C2 C4 C8 123.9(4) . . . ?
C2 C4 C8 123.9(4) . . . ?
C2 C4 H1 55.1 . . . no
C2 C4 H2 123.7 . . . no
C2 C4 H3 152.2 . . . no
C2 C4 H3 152.2 . . . no
C2 C4 H4 92.3 . . . no
C2 C4 H4 92.3 . . . no
C2 C4 H6 115.7 . . . no
C2 C4 H6 115.7 . . . no
C2 C4 H10 29.9 . . . no
C3 C4 C5 120.4(5) . . . ?
C3 C4 C6 20.1(3) . . . ?
C3 C4 C7 150.3(4) . . . ?
C3 C4 C8 149.0(4) . . . ?
C3 C4 C8 149.0(4) . . . ?
C3 C4 H1 25.4 . . . no
C3 C4 H2 93.9 . . . no
C3 C4 H3 130.0 . . . no
C3 C4 H3 130.0 . . . no
C3 C4 H4 75.3 . . . no
C3 C4 H4 75.3 . . . no
C3 C4 H6 135.1 . . . no
C3 C4 H6 135.1 . . . no
C3 C4 H10 59.6 . . . no
C5 C4 C6 140.4(4) . . . ?
C5 C4 C7 89.3(3) . . . ?
C5 C4 C8 83.7(4) . . . ?
C5 C4 C8 83.7(4) . . . ?
C5 C4 H1 95.0 . . . no
C5 C4 H2 26.4 . . . no
C5 C4 H3 26.9 . . . no
C5 C4 H3 26.9 . . . no
C5 C4 H4 71.1 . . . no
C5 C4 H4 71.1 . . . no
C5 C4 H6 87.6 . . . no
C5 C4 H6 87.6 . . . no
C5 C4 H10 180.0 . . . no
C6 C4 C7 130.2(2) . . . ?
C6 C4 C8 132.5(3) . . . ?
C6 C4 C8 132.5(3) . . . ?
C6 C4 H1 45.4 . . . no
C6 C4 H2 114.0 . . . no
C6 C4 H3 146.0 . . . no
C6 C4 H3 146.0 . . . no
C6 C4 H4 86.7 . . . no
C6 C4 H4 86.7 . . . no
C6 C4 H6 122.7 . . . no
C6 C4 H6 122.7 . . . no
C6 C4 H10 39.6 . . . no
C7 C4 C8 21.6(2) . . . ?
C7 C4 C8 21.6(2) . . . ?
C7 C4 H1 175.7 . . . no
C7 C4 H2 115.7 . . . no
C7 C4 H3 76.5 . . . no
C7 C4 H3 76.5 . . . no
C7 C4 H4 118.6 . . . no
C7 C4 H4 118.6 . . . no
C7 C4 H6 37.1 . . . no
C7 C4 H6 37.1 . . . no
C7 C4 H10 90.7 . . . no
C8 C4 C8 41.5(2) . . . ?
C8 C4 H1 159.2 . . . no
C8 C4 H2 108.4 . . . no
C8 C4 H3 63.6 . . . no
C8 C4 H3 80.5 . . . no
C8 C4 H4 97.2 . . . no
C8 C4 H4 134.5 . . . no
C8 C4 H6 16.6 . . . no
C8 C4 H6 57.9 . . . no
C8 C4 H10 96.3 . . . no
C8 C4 H1 159.2 7 7 7 no
C8 C4 H2 108.4 7 7 7 no
C8 C4 H3 80.5 7 7 7 no
C8 C4 H3 63.6 7 7 7 no
C8 C4 H4 134.5 7 7 7 no
C8 C4 H4 97.2 7 7 7 no
C8 C4 H6 57.9 7 7 7 no
C8 C4 H6 16.6 7 7 7 no
C8 C4 H10 96.3 7 7 7 no
H1 C4 H2 68.6 . . . no
H1 C4 H3 107.4 . . . no
H1 C4 H3 107.4 . . . no
H1 C4 H4 63.1 . . . no
H1 C4 H4 63.1 . . . no
H1 C4 H6 142.9 . . . no
H1 C4 H6 142.9 . . . no
H1 C4 H10 85.0 . . . no
H2 C4 H3 45.6 . . . no
H2 C4 H3 45.6 . . . no
H2 C4 H4 59.7 . . . no
H2 C4 H4 59.7 . . . no
H2 C4 H6 108.5 . . . no
H2 C4 H6 108.5 . . . no
H2 C4 H10 153.6 . . . no
H3 C4 H3 46.3 . . . no
H3 C4 H4 59.9 . . . no
H3 C4 H4 98.0 . . . no
H3 C4 H6 63.1 . . . no
H3 C4 H6 91.3 . . . no
H3 C4 H10 153.1 . . . no
H3 C4 H4 98.0 7 7 7 no
H3 C4 H4 59.9 7 7 7 no
H3 C4 H6 91.3 7 7 7 no
H3 C4 H6 63.1 7 7 7 no
H3 C4 H10 153.1 7 7 7 no
H4 C4 H4 108.9 4 4 4 no
H4 C4 H6 83.2 4 4 4 no
H4 C4 H6 149.5 4 4 4 no
H4 C4 H10 108.9 4 4 4 no
H4 C4 H6 149.5 4_565 4_565 4_565 no
H4 C4 H6 83.2 4_565 4_565 4_565 no
H4 C4 H10 108.9 4_565 4_565 4_565 no
H6 C4 H6 74.1 . . . no
H6 C4 H10 92.4 . . . no
H6 C4 H10 92.4 7 7 7 no
O1 C5 O2 107.0(9) 1_556 1_556 1_556 ?
O1 C5 O2 107.0(9) 1_556 1_556 1_556 ?
O1 C5 N1 166.9(2) 1_556 1_556 1_556 ?
O1 C5 C1 157.4(2) 1_556 1_556 1_556 ?
O1 C5 C2 119.4(2) 1_556 1_556 1_556 ?
O1 C5 C3 109.3(2) 1_556 1_556 1_556 ?
O1 C5 C4 137.9(4) 1_556 1_556 1_556 ?
O1 C5 C7 162.4(2) 1_556 1_556 1_556 ?
O1 C5 C8 146.3(3) 1_556 1_556 1_556 ?
O1 C5 C8 146.3(3) 1_556 1_556 1_556 ?
O1 C5 C11 63.9(7) 1_556 1_556 1_556 ?
O1 C5 C11 63.9(7) 1_556 1_556 1_556 ?
O1 C5 H1 85.0 1_556 1_556 1_556 no
O1 C5 H2 28.0 1_556 1_556 1_556 no
O1 C5 H3 93.8 1_556 1_556 1_556 no
O1 C5 H3 93.8 1_556 1_556 1_556 no
O1 C5 H4 72.4 1_556 1_556 1_556 no
O1 C5 H4 72.4 1_556 1_556 1_556 no
O1 C5 H5 48.9 1_556 1_556 1_556 no
O1 C5 H5 48.9 1_556 1_556 1_556 no
O1 C5 H6 140.6 1_556 1_556 1_556 no
O1 C5 H6 140.6 1_556 1_556 1_556 no
O1 C5 H7 69.1 1_556 1_556 1_556 no
O1 C5 H7 69.1 1_556 1_556 1_556 no
O1 C5 H8 63.0 1_556 1_556 1_556 no
O1 C5 H8 63.0 1_556 1_556 1_556 no
O2 C5 O2 132.7(2) . . . ?
O2 C5 N1 69.7(9) . . . ?
O2 C5 C1 67.9(8) . . . ?
O2 C5 C2 67.5(5) . . . ?
O2 C5 C3 69.2(4) . . . ?
O2 C5 C4 66.4(7) . . . ?
O2 C5 C7 78.7(8) . . . ?
O2 C5 C8 64.4(6) . . . ?
O2 C5 C8 100.7(6) . . . ?
O2 C5 C11 60.7(2) . . . ?
O2 C5 C11 166.5(2) . . . ?
O2 C5 H1 75.7 . . . no
O2 C5 H2 97.5 . . . no
O2 C5 H3 51.9 . . . no
O2 C5 H3 152.7 . . . no
O2 C5 H4 35.8 . . . no
O2 C5 H4 139.7 . . . no
O2 C5 H5 59.4 . . . no
O2 C5 H5 133.4 . . . no
O2 C5 H6 48.9 . . . no
O2 C5 H6 111.6 . . . no
O2 C5 H7 129.4 . . . no
O2 C5 H7 93.2 . . . no
O2 C5 H8 165.9 . . . no
O2 C5 H8 61.3 . . . no
O2 C5 N1 69.7(9) 1_565 1_565 1_565 ?
O2 C5 C1 67.9(8) 1_565 1_565 1_565 ?
O2 C5 C2 67.5(5) 1_565 1_565 1_565 ?
O2 C5 C3 69.2(4) 1_565 1_565 1_565 ?
O2 C5 C4 66.4(7) 1_565 1_565 1_565 ?
O2 C5 C7 78.7(8) 1_565 1_565 1_565 ?
O2 C5 C8 100.7(6) 1_565 1_565 1_565 ?
O2 C5 C8 64.4(6) 1_565 1_565 1_565 ?
O2 C5 C11 166.5(2) 1_565 1_565 1_565 ?
O2 C5 C11 60.7(2) 1_565 1_565 1_565 ?
O2 C5 H1 75.7 1_565 1_565 1_565 no
O2 C5 H2 97.5 1_565 1_565 1_565 no
O2 C5 H3 152.7 1_565 1_565 1_565 no
O2 C5 H3 51.9 1_565 1_565 1_565 no
O2 C5 H4 139.7 1_565 1_565 1_565 no
O2 C5 H4 35.8 1_565 1_565 1_565 no
O2 C5 H5 133.4 1_565 1_565 1_565 no
O2 C5 H5 59.4 1_565 1_565 1_565 no
O2 C5 H6 111.6 1_565 1_565 1_565 no
O2 C5 H6 48.9 1_565 1_565 1_565 no
O2 C5 H7 93.2 1_565 1_565 1_565 no
O2 C5 H7 129.4 1_565 1_565 1_565 no
O2 C5 H8 61.3 1_565 1_565 1_565 no
O2 C5 H8 165.9 1_565 1_565 1_565 no
N1 C5 C1 9.54(13) . . . ?
N1 C5 C2 47.5(2) . . . ?
N1 C5 C3 57.6(2) . . . ?
N1 C5 C4 29.0(3) . . . ?
N1 C5 C7 30.7(1) . . . ?
N1 C5 C8 44.7(3) . . . ?
N1 C5 C8 44.7(3) . . . ?
N1 C5 C11 121.4(7) . . . ?
N1 C5 C11 121.4(7) . . . ?
N1 C5 H1 81.9 . . . no
N1 C5 H2 138.9 . . . no
N1 C5 H3 93.6 . . . no
N1 C5 H3 93.6 . . . no
N1 C5 H4 101.6 . . . no
N1 C5 H4 101.6 . . . no
N1 C5 H5 123.7 . . . no
N1 C5 H5 123.7 . . . no
N1 C5 H6 46.8 . . . no
N1 C5 H6 46.8 . . . no
N1 C5 H7 123.1 . . . no
N1 C5 H7 123.1 . . . no
N1 C5 H8 122.3 . . . no
N1 C5 H8 122.3 . . . no
C1 C5 C2 37.98(12) . . . ?
C1 C5 C3 48.1(2) . . . ?
C1 C5 C4 19.5(3) . . . ?
C1 C5 C7 40.19(13) . . . ?
C1 C5 C8 53.2(3) . . . ?
C1 C5 C8 53.2(3) . . . ?
C1 C5 C11 124.4(7) . . . ?
C1 C5 C11 124.4(7) . . . ?
C1 C5 H1 72.4 . . . no
C1 C5 H2 129.4 . . . no
C1 C5 H3 99.0 . . . no
C1 C5 H3 99.0 . . . no
C1 C5 H4 96.9 . . . no
C1 C5 H4 96.9 . . . no
C1 C5 H5 117.5 . . . no
C1 C5 H5 117.5 . . . no
C1 C5 H6 53.3 . . . no
C1 C5 H6 53.3 . . . no
C1 C5 H7 131.9 . . . no
C1 C5 H7 131.9 . . . no
C1 C5 H8 125.2 . . . no
C1 C5 H8 125.2 . . . no
C2 C5 C3 10.1(2) . . . ?
C2 C5 C4 18.5(3) . . . ?
C2 C5 C7 78.2(2) . . . ?
C2 C5 C8 88.6(3) . . . ?
C2 C5 C8 88.6(3) . . . ?
C2 C5 C11 125.1(3) . . . ?
C2 C5 C11 125.1(3) . . . ?
C2 C5 H1 34.4 . . . no
C2 C5 H2 91.4 . . . no
C2 C5 H3 117.4 . . . no
C2 C5 H3 117.4 . . . no
C2 C5 H4 77.8 . . . no
C2 C5 H4 77.8 . . . no
C2 C5 H5 89.7 . . . no
C2 C5 H5 89.7 . . . no
C2 C5 H6 83.2 . . . no
C2 C5 H6 83.2 . . . no
C2 C5 H7 160.2 . . . no
C2 C5 H7 160.2 . . . no
C2 C5 H8 125.5 . . . no
C2 C5 H8 125.5 . . . no
C3 C5 C4 28.6(3) . . . ?
C3 C5 C7 88.3(2) . . . ?
C3 C5 C8 98.1(3) . . . ?
C3 C5 C8 98.1(3) . . . ?
C3 C5 C11 122.3(2) . . . ?
C3 C5 C11 122.3(2) . . . ?
C3 C5 H1 24.3 . . . no
C3 C5 H2 81.3 . . . no
C3 C5 H3 120.8 . . . no
C3 C5 H3 120.8 . . . no
C3 C5 H4 73.1 . . . no
C3 C5 H4 73.1 . . . no
C3 C5 H5 82.1 . . . no
C3 C5 H5 82.1 . . . no
C3 C5 H6 91.6 . . . no
C3 C5 H6 91.6 . . . no
C3 C5 H7 161.4 . . . no
C3 C5 H7 161.4 . . . no
C3 C5 H8 122.5 . . . no
C3 C5 H8 122.5 . . . no
C4 C5 C7 59.7(3) . . . ?
C4 C5 C8 71.2(4) . . . ?
C4 C5 C8 71.2(4) . . . ?
C4 C5 C11 127.1(5) . . . ?
C4 C5 C11 127.1(5) . . . ?
C4 C5 H1 52.9 . . . no
C4 C5 H2 109.9 . . . no
C4 C5 H3 109.3 . . . no
C4 C5 H3 109.3 . . . no
C4 C5 H4 87.0 . . . no
C4 C5 H4 87.0 . . . no
C4 C5 H5 103.6 . . . no
C4 C5 H5 103.6 . . . no
C4 C5 H6 68.1 . . . no
C4 C5 H6 68.1 . . . no
C4 C5 H7 148.7 . . . no
C4 C5 H7 148.7 . . . no
C4 C5 H8 127.7 . . . no
C4 C5 H8 127.7 . . . no
C7 C5 C8 22.2(2) . . . ?
C7 C5 C8 22.2(2) . . . ?
C7 C5 C11 107.1(7) . . . ?
C7 C5 C11 107.1(7) . . . ?
C7 C5 H1 112.5 . . . no
C7 C5 H2 169.6 . . . no
C7 C5 H3 76.5 . . . no
C7 C5 H3 76.5 . . . no
C7 C5 H4 114.4 . . . no
C7 C5 H4 114.4 . . . no
C7 C5 H5 137.8 . . . no
C7 C5 H5 137.8 . . . no
C7 C5 H6 34.2 . . . no
C7 C5 H6 34.2 . . . no
C7 C5 H7 94.3 . . . no
C7 C5 H7 94.3 . . . no
C7 C5 H8 108.0 . . . no
C7 C5 H8 108.0 . . . no
C8 C5 C8 39.4(2) . . . ?
C8 C5 C11 85.1(5) . . . ?
C8 C5 C11 116.9(6) . . . ?
C8 C5 H1 120.7 . . . no
C8 C5 H2 160.3 . . . no
C8 C5 H3 54.4 . . . no
C8 C5 H3 88.4 . . . no
C8 C5 H4 98.3 . . . no
C8 C5 H4 136.4 . . . no
C8 C5 H5 119.5 . . . no
C8 C5 H5 158.9 . . . no
C8 C5 H6 15.5 . . . no
C8 C5 H6 54.1 . . . no
C8 C5 H7 90.9 . . . no
C8 C5 H7 78.6 . . . no
C8 C5 H8 117.6 . . . no
C8 C5 H8 86.0 . . . no
C8 C5 C11 116.9(6) 7 7 7 ?
C8 C5 C11 85.1(5) 7 7 7 ?
C8 C5 H1 120.7 7 7 7 no
C8 C5 H2 160.3 7 7 7 no
C8 C5 H3 88.4 7 7 7 no
C8 C5 H3 54.4 7 7 7 no
C8 C5 H4 136.4 7 7 7 no
C8 C5 H4 98.3 7 7 7 no
C8 C5 H5 158.9 7 7 7 no
C8 C5 H5 119.5 7 7 7 no
C8 C5 H6 54.1 7 7 7 no
C8 C5 H6 15.5 7 7 7 no
C8 C5 H7 78.6 7 7 7 no
C8 C5 H7 90.9 7 7 7 no
C8 C5 H8 86.0 7 7 7 no
C8 C5 H8 117.6 7 7 7 no
C11 C5 C11 105.8(2) 3_646 3_646 3_646 ?
C11 C5 H1 111.9 3_646 3_646 3_646 no
C11 C5 H2 78.8 3_646 3_646 3_646 no
C11 C5 H3 30.7 3_646 3_646 3_646 no
C11 C5 H3 116.8 3_646 3_646 3_646 no
C11 C5 H4 49.7 3_646 3_646 3_646 no
C11 C5 H4 136.3 3_646 3_646 3_646 no
C11 C5 H5 49.1 3_646 3_646 3_646 no
C11 C5 H5 112.8 3_646 3_646 3_646 no
C11 C5 H6 76.7 3_646 3_646 3_646 no
C11 C5 H6 131.5 3_646 3_646 3_646 no
C11 C5 H7 74.5 3_646 3_646 3_646 no
C11 C5 H7 39.5 3_646 3_646 3_646 no
C11 C5 H8 105.2 3_646 3_646 3_646 no
C11 C5 H8 0.9 3_646 3_646 3_646 no
C11 C5 H1 111.9 3_656 3_656 3_656 no
C11 C5 H2 78.8 3_656 3_656 3_656 no
C11 C5 H3 116.8 3_656 3_656 3_656 no
C11 C5 H3 30.7 3_656 3_656 3_656 no
C11 C5 H4 136.3 3_656 3_656 3_656 no
C11 C5 H4 49.7 3_656 3_656 3_656 no
C11 C5 H5 112.8 3_656 3_656 3_656 no
C11 C5 H5 49.1 3_656 3_656 3_656 no
C11 C5 H6 131.5 3_656 3_656 3_656 no
C11 C5 H6 76.7 3_656 3_656 3_656 no
C11 C5 H7 39.5 3_656 3_656 3_656 no
C11 C5 H7 74.5 3_656 3_656 3_656 no
C11 C5 H8 0.9 3_656 3_656 3_656 no
C11 C5 H8 105.2 3_656 3_656 3_656 no
H1 C5 H2 57.0 . . . no
H1 C5 H3 124.8 . . . no
H1 C5 H3 124.8 . . . no
H1 C5 H4 64.0 . . . no
H1 C5 H4 64.0 . . . no
H1 C5 H5 64.4 . . . no
H1 C5 H5 64.4 . . . no
H1 C5 H6 111.4 . . . no
H1 C5 H6 111.4 . . . no
H1 C5 H7 147.6 . . . no
H1 C5 H7 147.6 . . . no
H1 C5 H8 111.7 . . . no
H1 C5 H8 111.7 . . . no
H2 C5 H3 108.9 . . . no
H2 C5 H3 108.9 . . . no
H2 C5 H4 62.5 . . . no
H2 C5 H4 62.5 . . . no
H2 C5 H5 40.8 . . . no
H2 C5 H5 40.8 . . . no
H2 C5 H6 145.4 . . . no
H2 C5 H6 145.4 . . . no
H2 C5 H7 95.6 . . . no
H2 C5 H7 95.6 . . . no
H2 C5 H8 78.0 . . . no
H2 C5 H8 78.0 . . . no
H3 C5 H3 110.5 . . . no
H3 C5 H4 63.2 . . . no
H3 C5 H4 163.7 . . . no
H3 C5 H5 73.8 . . . no
H3 C5 H5 142.4 . . . no
H3 C5 H6 47.1 . . . no
H3 C5 H6 103.8 . . . no
H3 C5 H7 77.6 . . . no
H3 C5 H7 42.8 . . . no
H3 C5 H8 116.6 . . . no
H3 C5 H8 31.5 . . . no
H3 C5 H4 163.7 7 7 7 no
H3 C5 H4 63.2 7 7 7 no
H3 C5 H5 142.4 7 7 7 no
H3 C5 H5 73.8 7 7 7 no
H3 C5 H6 103.8 7 7 7 no
H3 C5 H6 47.1 7 7 7 no
H3 C5 H7 42.8 7 7 7 no
H3 C5 H7 77.6 7 7 7 no
H3 C5 H8 31.5 7 7 7 no
H3 C5 H8 116.6 7 7 7 no
H4 C5 H4 118.3 4 4 4 no
H4 C5 H5 23.8 4 4 4 no
H4 C5 H5 101.9 4 4 4 no
H4 C5 H6 82.9 4 4 4 no
H4 C5 H6 147.0 4 4 4 no
H4 C5 H7 121.8 4 4 4 no
H4 C5 H7 89.1 4 4 4 no
H4 C5 H8 135.4 4 4 4 no
H4 C5 H8 49.7 4 4 4 no
H4 C5 H5 101.9 4_565 4_565 4_565 no
H4 C5 H5 23.8 4_565 4_565 4_565 no
H4 C5 H6 147.0 4_565 4_565 4_565 no
H4 C5 H6 82.9 4_565 4_565 4_565 no
H4 C5 H7 89.1 4_565 4_565 4_565 no
H4 C5 H7 121.8 4_565 4_565 4_565 no
H4 C5 H8 49.7 4_565 4_565 4_565 no
H4 C5 H8 135.4 4_565 4_565 4_565 no
H5 C5 H5 81.5 4 4 4 no
H5 C5 H6 104.8 4 4 4 no
H5 C5 H6 170.4 4 4 4 no
H5 C5 H7 107.6 4 4 4 no
H5 C5 H7 83.6 4 4 4 no
H5 C5 H8 111.9 4 4 4 no
H5 C5 H8 48.7 4 4 4 no
H5 C5 H6 170.4 6 6 6 no
H5 C5 H6 104.8 6 6 6 no
H5 C5 H7 83.6 6 6 6 no
H5 C5 H7 107.6 6 6 6 no
H5 C5 H8 48.7 6 6 6 no
H5 C5 H8 111.9 6 6 6 no
H6 C5 H6 68.1 . . . no
H6 C5 H7 100.9 . . . no
H6 C5 H7 80.5 . . . no
H6 C5 H8 132.1 . . . no
H6 C5 H8 77.6 . . . no
H6 C5 H7 80.5 7 7 7 no
H6 C5 H7 100.9 7 7 7 no
H6 C5 H8 77.6 7 7 7 no
H6 C5 H8 132.1 7 7 7 no
H7 C5 H7 36.9 3_656 3_656 3_656 no
H7 C5 H8 39.4 3_656 3_656 3_656 no
H7 C5 H8 74.2 3_656 3_656 3_656 no
H7 C5 H8 74.2 5_656 5_656 5_656 no
H7 C5 H8 39.4 5_656 5_656 5_656 no
H8 C5 H8 104.6 3_656 3_656 3_656 no
O1 C6 O1 111.2(2) 4 4 4 ?
O1 C6 O2 103.0(7) 4 4 4 ?
O1 C6 O3 60.4(7) 4 4 4 ?
O1 C6 O4 54.1(2) 4 4 4 ?
O1 C6 O4 118.5(7) 4 4 4 ?
O1 C6 O4 151.8(2) 4 4 4 ?
O1 C6 N2 123.1(3) 4 4 4 ?
O1 C6 N3 110.8(8) 4 4 4 ?
O1 C6 C1 121.3(2) 4 4 4 ?
O1 C6 C2 113.4(2) 4 4 4 ?
O1 C6 C3 100.3(5) 4 4 4 ?
O1 C6 C4 105.9(4) 4 4 4 ?
O1 C6 C11 65.5(2) 4 4 4 ?
O1 C6 H1 86.4 4 4 4 no
O1 C6 H1 65.9 4 4 4 no
O1 C6 H1 166.9 4 4 4 no
O1 C6 H2 40.3 4 4 4 no
O1 C6 H2 132.7 4 4 4 no
O1 C6 H3 54.7 4 4 4 no
O1 C6 H3 115.6 4 4 4 no
O1 C6 H4 104.2 4 4 4 no
O1 C6 H5 4.3 4 4 4 no
O1 C6 H5 114.1 4 4 4 no
O1 C6 H8 81.6 4 4 4 no
O1 C6 H8 56.5 4 4 4 no
O1 C6 H9 59.6 4 4 4 no
O1 C6 H10 124.1 4 4 4 no
O1 C6 H10 37.8 4 4 4 no
O1 C6 H10 124.0 4 4 4 no
O1 C6 O2 103.0(7) 4_565 4_565 4_565 ?
O1 C6 O3 60.4(7) 4_565 4_565 4_565 ?
O1 C6 O4 151.8(2) 4_565 4_565 4_565 ?
O1 C6 O4 118.5(7) 4_565 4_565 4_565 ?
O1 C6 O4 54.1(2) 4_565 4_565 4_565 ?
O1 C6 N2 123.1(3) 4_565 4_565 4_565 ?
O1 C6 N3 110.8(8) 4_565 4_565 4_565 ?
O1 C6 C1 121.3(2) 4_565 4_565 4_565 ?
O1 C6 C2 113.4(2) 4_565 4_565 4_565 ?
O1 C6 C3 100.3(5) 4_565 4_565 4_565 ?
O1 C6 C4 105.9(4) 4_565 4_565 4_565 ?
O1 C6 C11 65.5(2) 4_565 4_565 4_565 ?
O1 C6 H1 86.4 4_565 4_565 4_565 no
O1 C6 H1 166.9 4_565 4_565 4_565 no
O1 C6 H1 65.9 4_565 4_565 4_565 no
O1 C6 H2 132.7 4_565 4_565 4_565 no
O1 C6 H2 40.3 4_565 4_565 4_565 no
O1 C6 H3 115.6 4_565 4_565 4_565 no
O1 C6 H3 54.7 4_565 4_565 4_565 no
O1 C6 H4 104.2 4_565 4_565 4_565 no
O1 C6 H5 114.1 4_565 4_565 4_565 no
O1 C6 H5 4.3 4_565 4_565 4_565 no
O1 C6 H8 56.5 4_565 4_565 4_565 no
O1 C6 H8 81.6 4_565 4_565 4_565 no
O1 C6 H9 59.6 4_565 4_565 4_565 no
O1 C6 H10 124.1 4_565 4_565 4_565 no
O1 C6 H10 124.0 4_565 4_565 4_565 no
O1 C6 H10 37.8 4_565 4_565 4_565 no
O2 C6 O3 142.5(2) 4_554 4_554 4_554 ?
O2 C6 O4 103.9(8) 4_554 4_554 4_554 ?
O2 C6 O4 34.22(10) 4_554 4_554 4_554 ?
O2 C6 O4 103.9(8) 4_554 4_554 4_554 ?
O2 C6 N2 81.8(2) 4_554 4_554 4_554 ?
O2 C6 N3 15.58(9) 4_554 4_554 4_554 ?
O2 C6 C1 89.8(2) 4_554 4_554 4_554 ?
O2 C6 C2 111.9(3) 4_554 4_554 4_554 ?
O2 C6 C3 138.3(2) 4_554 4_554 4_554 ?
O2 C6 C4 127.6(2) 4_554 4_554 4_554 ?
O2 C6 C11 70.7(2) 4_554 4_554 4_554 ?
O2 C6 H1 162.9 4_554 4_554 4_554 no
O2 C6 H1 66.5 4_554 4_554 4_554 no
O2 C6 H1 66.5 4_554 4_554 4_554 no
O2 C6 H2 65.7 4_554 4_554 4_554 no
O2 C6 H2 65.7 4_554 4_554 4_554 no
O2 C6 H3 48.3 4_554 4_554 4_554 no
O2 C6 H3 48.3 4_554 4_554 4_554 no
O2 C6 H4 2.3 4_554 4_554 4_554 no
O2 C6 H5 104.9 4_554 4_554 4_554 no
O2 C6 H5 104.9 4_554 4_554 4_554 no
O2 C6 H8 63.9 4_554 4_554 4_554 no
O2 C6 H8 63.9 4_554 4_554 4_554 no
O2 C6 H9 86.9 4_554 4_554 4_554 no
O2 C6 H10 59.0 4_554 4_554 4_554 no
O2 C6 H10 125.1 4_554 4_554 4_554 no
O2 C6 H10 125.1 4_554 4_554 4_554 no
O3 C6 O4 92.6(9) 4 4 4 ?
O3 C6 O4 176.7(2) 4 4 4 ?
O3 C6 O4 92.6(9) 4 4 4 ?
O3 C6 N2 135.7(2) 4 4 4 ?
O3 C6 N3 158.1(2) 4 4 4 ?
O3 C6 C1 127.7(2) 4 4 4 ?
O3 C6 C2 105.6(3) 4 4 4 ?
O3 C6 C3 79.2(2) 4 4 4 ?
O3 C6 C4 89.9(2) 4 4 4 ?
O3 C6 C11 71.8(2) 4 4 4 ?
O3 C6 H1 54.6 4 4 4 no
O3 C6 H1 122.9 4 4 4 no
O3 C6 H1 122.9 4 4 4 no
O3 C6 H2 99.7 4 4 4 no
O3 C6 H2 99.7 4 4 4 no
O3 C6 H3 105.5 4 4 4 no
O3 C6 H3 105.5 4 4 4 no
O3 C6 H4 144.9 4 4 4 no
O3 C6 H5 61.2 4 4 4 no
O3 C6 H5 61.2 4 4 4 no
O3 C6 H8 79.8 4 4 4 no
O3 C6 H8 79.8 4 4 4 no
O3 C6 H9 55.7 4 4 4 no
O3 C6 H10 158.5 4 4 4 no
O3 C6 H10 63.9 4 4 4 no
O3 C6 H10 63.9 4 4 4 no
O4 C6 O4 88.9(9) . . . ?
O4 C6 O4 125.6(2) . . . ?
O4 C6 N2 69.5(5) . . . ?
O4 C6 N3 97.3(9) . . . ?
O4 C6 C1 67.2(4) . . . ?
O4 C6 C2 63.24(10) . . . ?
O4 C6 C3 64.0(4) . . . ?
O4 C6 C4 63.0(3) . . . ?
O4 C6 C11 116.51(12) . . . ?
O4 C6 H1 69.9 . . . no
O4 C6 H1 37.5 . . . no
O4 C6 H1 134.1 . . . no
O4 C6 H2 54.8 . . . no
O4 C6 H2 167.6 . . . no
O4 C6 H3 77.4 . . . no
O4 C6 H3 150.5 . . . no
O4 C6 H4 103.0 . . . no
O4 C6 H5 50.0 . . . no
O4 C6 H5 150.8 . . . no
O4 C6 H8 131.3 . . . no
O4 C6 H8 102.9 . . . no
O4 C6 H9 113.7 . . . no
O4 C6 H10 77.9 . . . no
O4 C6 H10 28.9 . . . no
O4 C6 H10 125.4 . . . no
O4 C6 O4 88.9(9) 4_554 4_554 4_554 ?
O4 C6 N2 47.6(1) 4_554 4_554 4_554 ?
O4 C6 N3 18.64(8) 4_554 4_554 4_554 ?
O4 C6 C1 55.60(12) 4_554 4_554 4_554 ?
O4 C6 C2 77.7(3) 4_554 4_554 4_554 ?
O4 C6 C3 104.1(2) 4_554 4_554 4_554 ?
O4 C6 C4 93.3(2) 4_554 4_554 4_554 ?
O4 C6 C11 104.9(2) 4_554 4_554 4_554 ?
O4 C6 H1 128.7 4_554 4_554 4_554 no
O4 C6 H1 57.3 4_554 4_554 4_554 no
O4 C6 H1 57.3 4_554 4_554 4_554 no
O4 C6 H2 78.8 4_554 4_554 4_554 no
O4 C6 H2 78.8 4_554 4_554 4_554 no
O4 C6 H3 72.0 4_554 4_554 4_554 no
O4 C6 H3 72.0 4_554 4_554 4_554 no
O4 C6 H4 31.9 4_554 4_554 4_554 no
O4 C6 H5 118.0 4_554 4_554 4_554 no
O4 C6 H5 118.0 4_554 4_554 4_554 no
O4 C6 H8 97.0 4_554 4_554 4_554 no
O4 C6 H8 97.0 4_554 4_554 4_554 no
O4 C6 H9 121.1 4_554 4_554 4_554 no
O4 C6 H10 24.8 4_554 4_554 4_554 no
O4 C6 H10 117.4 4_554 4_554 4_554 no
O4 C6 H10 117.4 4_554 4_554 4_554 no
O4 C6 N2 69.5(5) 1_565 1_565 1_565 ?
O4 C6 N3 97.3(9) 1_565 1_565 1_565 ?
O4 C6 C1 67.2(4) 1_565 1_565 1_565 ?
O4 C6 C2 63.24(10) 1_565 1_565 1_565 ?
O4 C6 C3 64.0(4) 1_565 1_565 1_565 ?
O4 C6 C4 63.0(3) 1_565 1_565 1_565 ?
O4 C6 C11 116.51(12) 1_565 1_565 1_565 ?
O4 C6 H1 69.9 1_565 1_565 1_565 no
O4 C6 H1 134.1 1_565 1_565 1_565 no
O4 C6 H1 37.5 1_565 1_565 1_565 no
O4 C6 H2 167.6 1_565 1_565 1_565 no
O4 C6 H2 54.8 1_565 1_565 1_565 no
O4 C6 H3 150.5 1_565 1_565 1_565 no
O4 C6 H3 77.4 1_565 1_565 1_565 no
O4 C6 H4 103.0 1_565 1_565 1_565 no
O4 C6 H5 150.8 1_565 1_565 1_565 no
O4 C6 H5 50.0 1_565 1_565 1_565 no
O4 C6 H8 102.9 1_565 1_565 1_565 no
O4 C6 H8 131.3 1_565 1_565 1_565 no
O4 C6 H9 113.7 1_565 1_565 1_565 no
O4 C6 H10 77.9 1_565 1_565 1_565 no
O4 C6 H10 125.4 1_565 1_565 1_565 no
O4 C6 H10 28.9 1_565 1_565 1_565 no
N2 C6 N3 66.2(2) . . . ?
N2 C6 C1 8.01(13) . . . ?
N2 C6 C2 30.1(3) . . . ?
N2 C6 C3 56.5(2) . . . ?
N2 C6 C4 45.7(2) . . . ?
N2 C6 C11 152.5(3) . . . ?
N2 C6 H1 81.1 . . . no
N2 C6 H1 64.8 . . . no
N2 C6 H1 64.8 . . . no
N2 C6 H2 101.4 . . . no
N2 C6 H2 101.4 . . . no
N2 C6 H3 109.2 . . . no
N2 C6 H3 109.2 . . . no
N2 C6 H4 79.5 . . . no
N2 C6 H5 119.2 . . . no
N2 C6 H5 119.2 . . . no
N2 C6 H8 142.4 . . . no
N2 C6 H8 142.4 . . . no
N2 C6 H9 168.7 . . . no
N2 C6 H10 22.8 . . . no
N2 C6 H10 93.2 . . . no
N2 C6 H10 93.2 . . . no
N3 C6 C1 74.2(1) 4_554 4_554 4_554 ?
N3 C6 C2 96.3(3) 4_554 4_554 4_554 ?
N3 C6 C3 122.7(2) 4_554 4_554 4_554 ?
N3 C6 C4 112.0(2) 4_554 4_554 4_554 ?
N3 C6 C11 86.3(2) 4_554 4_554 4_554 ?
N3 C6 H1 147.3 4_554 4_554 4_554 no
N3 C6 H1 61.0 4_554 4_554 4_554 no
N3 C6 H1 61.0 4_554 4_554 4_554 no
N3 C6 H2 70.9 4_554 4_554 4_554 no
N3 C6 H2 70.9 4_554 4_554 4_554 no
N3 C6 H3 58.3 4_554 4_554 4_554 no
N3 C6 H3 58.3 4_554 4_554 4_554 no
N3 C6 H4 13.2 4_554 4_554 4_554 no
N3 C6 H5 111.7 4_554 4_554 4_554 no
N3 C6 H5 111.7 4_554 4_554 4_554 no
N3 C6 H8 78.9 4_554 4_554 4_554 no
N3 C6 H8 78.9 4_554 4_554 4_554 no
N3 C6 H9 102.4 4_554 4_554 4_554 no
N3 C6 H10 43.4 4_554 4_554 4_554 no
N3 C6 H10 123.2 4_554 4_554 4_554 no
N3 C6 H10 123.2 4_554 4_554 4_554 no
C1 C6 C2 22.1(3) . . . ?
C1 C6 C3 48.4(2) . . . ?
C1 C6 C4 37.73(13) . . . ?
C1 C6 C11 160.5(2) . . . ?
C1 C6 H1 73.1 . . . no
C1 C6 H1 68.1 . . . no
C1 C6 H1 68.1 . . . no
C1 C6 H2 105.0 . . . no
C1 C6 H2 105.0 . . . no
C1 C6 H3 115.2 . . . no
C1 C6 H3 115.2 . . . no
C1 C6 H4 87.5 . . . no
C1 C6 H5 117.2 . . . no
C1 C6 H5 117.2 . . . no
C1 C6 H8 149.6 . . . no
C1 C6 H8 149.6 . . . no
C1 C6 H9 176.7 . . . no
C1 C6 H10 30.8 . . . no
C1 C6 H10 88.6 . . . no
C1 C6 H10 88.6 . . . no
C2 C6 C3 26.4(3) . . . ?
C2 C6 C4 15.7(3) . . . ?
C2 C6 C11 177.4(4) . . . ?
C2 C6 H1 51.0 . . . no
C2 C6 H1 78.6 . . . no
C2 C6 H1 78.6 . . . no
C2 C6 H2 113.2 . . . no
C2 C6 H2 113.2 . . . no
C2 C6 H3 130.2 . . . no
C2 C6 H3 130.2 . . . no
C2 C6 H4 109.5 . . . no
C2 C6 H5 109.1 . . . no
C2 C6 H5 109.1 . . . no
C2 C6 H8 164.9 . . . no
C2 C6 H8 164.9 . . . no
C2 C6 H9 161.3 . . . no
C2 C6 H10 52.9 . . . no
C2 C6 H10 76.2 . . . no
C2 C6 H10 76.2 . . . no
C3 C6 C4 10.7(2) . . . ?
C3 C6 C11 151.1(3) . . . ?
C3 C6 H1 24.7 . . . no
C3 C6 H1 92.9 . . . no
C3 C6 H1 92.9 . . . no
C3 C6 H2 118.7 . . . no
C3 C6 H2 118.7 . . . no
C3 C6 H3 141.4 . . . no
C3 C6 H3 141.4 . . . no
C3 C6 H4 135.9 . . . no
C3 C6 H5 96.4 . . . no
C3 C6 H5 96.4 . . . no
C3 C6 H8 154.6 . . . no
C3 C6 H8 154.6 . . . no
C3 C6 H9 134.9 . . . no
C3 C6 H10 79.2 . . . no
C3 C6 H10 63.5 . . . no
C3 C6 H10 63.5 . . . no
C4 C6 C11 161.8(2) . . . ?
C4 C6 H1 35.4 . . . no
C4 C6 H1 87.0 . . . no
C4 C6 H1 87.0 . . . no
C4 C6 H2 117.2 . . . no
C4 C6 H2 117.2 . . . no
C4 C6 H3 138.1 . . . no
C4 C6 H3 138.1 . . . no
C4 C6 H4 125.2 . . . no
C4 C6 H5 101.8 . . . no
C4 C6 H5 101.8 . . . no
C4 C6 H8 162.3 . . . no
C4 C6 H8 162.3 . . . no
C4 C6 H9 145.6 . . . no
C4 C6 H10 68.5 . . . no
C4 C6 H10 68.2 . . . no
C4 C6 H10 68.2 . . . no
C11 C6 H1 126.4 2_455 2_455 2_455 no
C11 C6 H1 102.7 2_455 2_455 2_455 no
C11 C6 H1 102.7 2_455 2_455 2_455 no
C11 C6 H2 67.6 2_455 2_455 2_455 no
C11 C6 H2 67.6 2_455 2_455 2_455 no
C11 C6 H3 51.4 2_455 2_455 2_455 no
C11 C6 H3 51.4 2_455 2_455 2_455 no
C11 C6 H4 73.0 2_455 2_455 2_455 no
C11 C6 H5 69.8 2_455 2_455 2_455 no
C11 C6 H5 69.8 2_455 2_455 2_455 no
C11 C6 H8 16.1 2_455 2_455 2_455 no
C11 C6 H8 16.1 2_455 2_455 2_455 no
C11 C6 H9 16.2 2_455 2_455 2_455 no
C11 C6 H10 129.7 2_455 2_455 2_455 no
C11 C6 H10 102.4 2_455 2_455 2_455 no
C11 C6 H10 102.4 2_455 2_455 2_455 no
H1 C6 H1 105.8 . . . no
H1 C6 H1 105.8 . . . no
H1 C6 H2 118.1 . . . no
H1 C6 H2 118.1 . . . no
H1 C6 H3 139.6 . . . no
H1 C6 H3 139.6 . . . no
H1 C6 H4 160.6 . . . no
H1 C6 H5 83.6 . . . no
H1 C6 H5 83.6 . . . no
H1 C6 H8 132.4 . . . no
H1 C6 H8 132.4 . . . no
H1 C6 H9 110.2 . . . no
H1 C6 H10 103.9 . . . no
H1 C6 H10 56.1 . . . no
H1 C6 H10 56.1 . . . no
H1 C6 H1 113.8 4_554 4_554 4_554 no
H1 C6 H2 36.9 4_554 4_554 4_554 no
H1 C6 H2 131.6 4_554 4_554 4_554 no
H1 C6 H3 51.8 4_554 4_554 4_554 no
H1 C6 H3 114.0 4_554 4_554 4_554 no
H1 C6 H4 65.5 4_554 4_554 4_554 no
H1 C6 H5 63.8 4_554 4_554 4_554 no
H1 C6 H5 170.5 4_554 4_554 4_554 no
H1 C6 H8 110.6 4_554 4_554 4_554 no
H1 C6 H8 86.6 4_554 4_554 4_554 no
H1 C6 H9 110.5 4_554 4_554 4_554 no
H1 C6 H10 58.3 4_554 4_554 4_554 no
H1 C6 H10 62.3 4_554 4_554 4_554 no
H1 C6 H10 154.8 4_554 4_554 4_554 no
H1 C6 H2 131.6 4_564 4_564 4_564 no
H1 C6 H2 36.9 4_564 4_564 4_564 no
H1 C6 H3 114.0 4_564 4_564 4_564 no
H1 C6 H3 51.8 4_564 4_564 4_564 no
H1 C6 H4 65.5 4_564 4_564 4_564 no
H1 C6 H5 170.5 4_564 4_564 4_564 no
H1 C6 H5 63.8 4_564 4_564 4_564 no
H1 C6 H8 86.6 4_564 4_564 4_564 no
H1 C6 H8 110.6 4_564 4_564 4_564 no
H1 C6 H9 110.5 4_564 4_564 4_564 no
H1 C6 H10 58.3 4_564 4_564 4_564 no
H1 C6 H10 154.8 4_564 4_564 4_564 no
H1 C6 H10 62.3 4_564 4_564 4_564 no
H2 C6 H2 121.7 4_554 4_554 4_554 no
H2 C6 H3 23.1 4_554 4_554 4_554 no
H2 C6 H3 98.6 4_554 4_554 4_554 no
H2 C6 H4 66.3 4_554 4_554 4_554 no
H2 C6 H5 40.9 4_554 4_554 4_554 no
H2 C6 H5 137.0 4_554 4_554 4_554 no
H2 C6 H8 79.0 4_554 4_554 4_554 no
H2 C6 H8 51.7 4_554 4_554 4_554 no
H2 C6 H9 73.6 4_554 4_554 4_554 no
H2 C6 H10 90.6 4_554 4_554 4_554 no
H2 C6 H10 62.0 4_554 4_554 4_554 no
H2 C6 H10 163.3 4_554 4_554 4_554 no
H2 C6 H3 98.6 4_564 4_564 4_564 no
H2 C6 H3 23.1 4_564 4_564 4_564 no
H2 C6 H4 66.3 4_564 4_564 4_564 no
H2 C6 H5 137.0 4_564 4_564 4_564 no
H2 C6 H5 40.9 4_564 4_564 4_564 no
H2 C6 H8 51.7 4_564 4_564 4_564 no
H2 C6 H8 79.0 4_564 4_564 4_564 no
H2 C6 H9 73.6 4_564 4_564 4_564 no
H2 C6 H10 90.6 4_564 4_564 4_564 no
H2 C6 H10 163.3 4_564 4_564 4_564 no
H2 C6 H10 62.0 4_564 4_564 4_564 no
H3 C6 H3 75.4 4_554 4_554 4_554 no
H3 C6 H4 49.7 4_554 4_554 4_554 no
H3 C6 H5 57.0 4_554 4_554 4_554 no
H3 C6 H5 119.8 4_554 4_554 4_554 no
H3 C6 H8 59.2 4_554 4_554 4_554 no
H3 C6 H8 35.6 4_554 4_554 4_554 no
H3 C6 H9 62.4 4_554 4_554 4_554 no
H3 C6 H10 91.4 4_554 4_554 4_554 no
H3 C6 H10 83.9 4_554 4_554 4_554 no
H3 C6 H10 153.4 4_554 4_554 4_554 no
H3 C6 H4 49.7 6_554 6_554 6_554 no
H3 C6 H5 119.8 6_554 6_554 6_554 no
H3 C6 H5 57.0 6_554 6_554 6_554 no
H3 C6 H8 35.6 6_554 6_554 6_554 no
H3 C6 H8 59.2 6_554 6_554 6_554 no
H3 C6 H9 62.4 6_554 6_554 6_554 no
H3 C6 H10 91.4 6_554 6_554 6_554 no
H3 C6 H10 153.4 6_554 6_554 6_554 no
H3 C6 H10 83.9 6_554 6_554 6_554 no
H4 C6 H5 106.0 . . . no
H4 C6 H5 106.0 . . . no
H4 C6 H8 66.2 . . . no
H4 C6 H8 66.2 . . . no
H4 C6 H9 89.2 . . . no
H4 C6 H10 56.7 . . . no
H4 C6 H10 125.0 . . . no
H4 C6 H10 125.0 . . . no
H5 C6 H5 116.8 . . . no
H5 C6 H8 85.9 . . . no
H5 C6 H8 60.6 . . . no
H5 C6 H9 63.8 . . . no
H5 C6 H10 121.6 . . . no
H5 C6 H10 33.7 . . . no
H5 C6 H10 124.1 . . . no
H5 C6 H8 60.6 7 7 7 no
H5 C6 H8 85.9 7 7 7 no
H5 C6 H9 63.8 7 7 7 no
H5 C6 H10 121.6 7 7 7 no
H5 C6 H10 124.1 7 7 7 no
H5 C6 H10 33.7 7 7 7 no
H8 C6 H8 28.5 2_455 2_455 2_455 no
H8 C6 H9 27.6 2_455 2_455 2_455 no
H8 C6 H10 120.9 2_455 2_455 2_455 no
H8 C6 H10 118.5 2_455 2_455 2_455 no
H8 C6 H10 94.3 2_455 2_455 2_455 no
H8 C6 H9 27.6 8_455 8_455 8_455 no
H8 C6 H10 120.9 8_455 8_455 8_455 no
H8 C6 H10 94.3 8_455 8_455 8_455 no
H8 C6 H10 118.5 8_455 8_455 8_455 no
H9 C6 H10 145.9 2_455 2_455 2_455 no
H9 C6 H10 93.3 2_455 2_455 2_455 no
H9 C6 H10 93.3 2_455 2_455 2_455 no
H10 C6 H10 105.9 . . . no
H10 C6 H10 105.9 . . . no
H10 C6 H10 109.7 4 4 4 no
O1 C7 O3 61.1(7) . . . ?
O1 C7 O3 61.1(7) . . . ?
O1 C7 N1 58.0(2) . . . ?
O1 C7 N2 39.03(11) . . . ?
O1 C7 C1 27.0(1) . . . ?
O1 C7 C3 76.0(2) . . . ?
O1 C7 C4 86.5(2) . . . ?
O1 C7 C5 117.5(2) . . . ?
O1 C7 C8 105.5(8) . . . ?
O1 C7 C8 105.5(8) . . . ?
O1 C7 C9 117.7(5) . . . ?
O1 C7 C9 117.7(5) . . . ?
O1 C7 C10 122.0(2) . . . ?
O1 C7 H2 114.9 . . . no
O1 C7 H3 126.4 . . . no
O1 C7 H3 126.4 . . . no
O1 C7 H6 93.4 . . . no
O1 C7 H6 93.4 . . . no
O1 C7 H7 114.8 . . . no
O1 C7 H7 114.8 . . . no
O3 C7 O3 105.6(1) . . . ?
O3 C7 N1 55.7(2) . . . ?
O3 C7 N2 52.8(2) . . . ?
O3 C7 C1 53.5(3) . . . ?
O3 C7 C3 62.0(4) . . . ?
O3 C7 C4 66.9(6) . . . ?
O3 C7 C5 84.3(8) . . . ?
O3 C7 C8 66.1(3) . . . ?
O3 C7 C8 166.5(4) . . . ?
O3 C7 C9 95.9(2) . . . ?
O3 C7 C9 151.9(2) . . . ?
O3 C7 C10 124.3(2) . . . ?
O3 C7 H2 82.8 . . . no
O3 C7 H3 77.8 . . . no
O3 C7 H3 103.8 . . . no
O3 C7 H6 42.9 . . . no
O3 C7 H6 148.5 . . . no
O3 C7 H7 87.3 . . . no
O3 C7 H7 159.4 . . . no
O3 C7 N1 55.7(2) 1_565 1_565 1_565 ?
O3 C7 N2 52.8(2) 1_565 1_565 1_565 ?
O3 C7 C1 53.5(3) 1_565 1_565 1_565 ?
O3 C7 C3 62.0(4) 1_565 1_565 1_565 ?
O3 C7 C4 66.9(6) 1_565 1_565 1_565 ?
O3 C7 C5 84.3(8) 1_565 1_565 1_565 ?
O3 C7 C8 166.5(4) 1_565 1_565 1_565 ?
O3 C7 C8 66.1(3) 1_565 1_565 1_565 ?
O3 C7 C9 151.9(2) 1_565 1_565 1_565 ?
O3 C7 C9 95.9(2) 1_565 1_565 1_565 ?
O3 C7 C10 124.3(2) 1_565 1_565 1_565 ?
O3 C7 H2 82.8 1_565 1_565 1_565 no
O3 C7 H3 103.8 1_565 1_565 1_565 no
O3 C7 H3 77.8 1_565 1_565 1_565 no
O3 C7 H6 148.5 1_565 1_565 1_565 no
O3 C7 H6 42.9 1_565 1_565 1_565 no
O3 C7 H7 159.4 1_565 1_565 1_565 no
O3 C7 H7 87.3 1_565 1_565 1_565 no
N1 C7 N2 18.9(2) . . . ?
N1 C7 C1 31.0(2) . . . ?
N1 C7 C3 18.0(2) . . . ?
N1 C7 C4 28.5(2) . . . ?
N1 C7 C5 59.5(3) . . . ?
N1 C7 C8 120.1(3) . . . ?
N1 C7 C8 120.1(3) . . . ?
N1 C7 C9 150.71(13) . . . ?
N1 C7 C9 150.71(13) . . . ?
N1 C7 C10 179.9(4) . . . ?
N1 C7 H2 56.9 . . . no
N1 C7 H3 71.1 . . . no
N1 C7 H3 71.1 . . . no
N1 C7 H6 96.0 . . . no
N1 C7 H6 96.0 . . . no
N1 C7 H7 141.9 . . . no
N1 C7 H7 141.9 . . . no
N2 C7 C1 12.1(2) . . . ?
N2 C7 C3 36.92(11) . . . ?
N2 C7 C4 47.4(2) . . . ?
N2 C7 C5 78.4(2) . . . ?
N2 C7 C8 118.4(4) . . . ?
N2 C7 C8 118.4(4) . . . ?
N2 C7 C9 145.7(3) . . . ?
N2 C7 C9 145.7(3) . . . ?
N2 C7 C10 161.0(2) . . . ?
N2 C7 H2 75.8 . . . no
N2 C7 H3 89.2 . . . no
N2 C7 H3 89.2 . . . no
N2 C7 H6 95.8 . . . no
N2 C7 H6 95.8 . . . no
N2 C7 H7 138.1 . . . no
N2 C7 H7 138.1 . . . no
C1 C7 C3 49.0(2) . . . ?
C1 C7 C4 59.5(2) . . . ?
C1 C7 C5 90.5(2) . . . ?
C1 C7 C8 115.5(5) . . . ?
C1 C7 C8 115.5(5) . . . ?
C1 C7 C9 138.5(4) . . . ?
C1 C7 C9 138.5(4) . . . ?
C1 C7 C10 148.9(3) . . . ?
C1 C7 H2 87.9 . . . no
C1 C7 H3 100.8 . . . no
C1 C7 H3 100.8 . . . no
C1 C7 H6 95.3 . . . no
C1 C7 H6 95.3 . . . no
C1 C7 H7 132.5 . . . no
C1 C7 H7 132.5 . . . no
C3 C7 C4 10.5(2) . . . ?
C3 C7 C5 41.5(2) . . . ?
C3 C7 C8 118.5(5) . . . ?
C3 C7 C8 118.5(5) . . . ?
C3 C7 C9 146.0(3) . . . ?
C3 C7 C9 146.0(3) . . . ?
C3 C7 C10 162.1(2) . . . ?
C3 C7 H2 38.9 . . . no
C3 C7 H3 54.1 . . . no
C3 C7 H3 54.1 . . . no
C3 C7 H6 95.7 . . . no
C3 C7 H6 95.7 . . . no
C3 C7 H7 138.4 . . . no
C3 C7 H7 138.4 . . . no
C4 C7 C5 31.0(2) . . . ?
C4 C7 C8 116.1(6) . . . ?
C4 C7 C8 116.1(6) . . . ?
C4 C7 C9 139.9(4) . . . ?
C4 C7 C9 139.9(4) . . . ?
C4 C7 C10 151.6(3) . . . ?
C4 C7 H2 28.4 . . . no
C4 C7 H3 44.3 . . . no
C4 C7 H3 44.3 . . . no
C4 C7 H6 95.2 . . . no
C4 C7 H6 95.2 . . . no
C4 C7 H7 133.6 . . . no
C4 C7 H7 133.6 . . . no
C5 C7 C8 104.6(9) . . . ?
C5 C7 C8 104.6(9) . . . ?
C5 C7 C9 116.1(5) . . . ?
C5 C7 C9 116.1(5) . . . ?
C5 C7 C10 120.6(2) . . . ?
C5 C7 H2 2.6 . . . no
C5 C7 H3 19.5 . . . no
C5 C7 H3 19.5 . . . no
C5 C7 H6 92.8 . . . no
C5 C7 H6 92.8 . . . no
C5 C7 H7 113.4 . . . no
C5 C7 H7 113.4 . . . no
C8 C7 C8 119.8(5) . . . ?
C8 C7 C9 30.6(2) . . . ?
C8 C7 C9 89.2(3) . . . ?
C8 C7 C10 59.9(3) . . . ?
C8 C7 H2 105.8 . . . no
C8 C7 H3 85.2 . . . no
C8 C7 H3 113.9 . . . no
C8 C7 H6 24.1 . . . no
C8 C7 H6 143.9 . . . no
C8 C7 H7 21.8 . . . no
C8 C7 H7 98.0 . . . no
C8 C7 C9 89.2(3) 7 7 7 ?
C8 C7 C9 30.6(2) 7 7 7 ?
C8 C7 C10 59.9(3) 7 7 7 ?
C8 C7 H2 105.8 7 7 7 no
C8 C7 H3 113.9 7 7 7 no
C8 C7 H3 85.2 7 7 7 no
C8 C7 H6 143.9 7 7 7 no
C8 C7 H6 24.1 7 7 7 no
C8 C7 H7 98.0 7 7 7 no
C8 C7 H7 21.8 7 7 7 no
C9 C7 C9 58.6(3) . . . ?
C9 C7 C10 29.29(13) . . . ?
C9 C7 H2 118.3 . . . no
C9 C7 H3 98.2 . . . no
C9 C7 H3 114.8 . . . no
C9 C7 H6 54.7 . . . no
C9 C7 H6 113.3 . . . no
C9 C7 H7 8.8 . . . no
C9 C7 H7 67.4 . . . no
C9 C7 C10 29.29(13) 7 7 7 ?
C9 C7 H2 118.3 7 7 7 no
C9 C7 H3 114.8 7 7 7 no
C9 C7 H3 98.2 7 7 7 no
C9 C7 H6 113.3 7 7 7 no
C9 C7 H6 54.7 7 7 7 no
C9 C7 H7 67.4 7 7 7 no
C9 C7 H7 8.8 7 7 7 no
C10 C7 H2 123.2 . . . no
C10 C7 H3 109.0 . . . no
C10 C7 H3 109.0 . . . no
C10 C7 H6 84.0 . . . no
C10 C7 H6 84.0 . . . no
C10 C7 H7 38.1 . . . no
C10 C7 H7 38.1 . . . no
H2 C7 H3 21.0 . . . no
H2 C7 H3 21.0 . . . no
H2 C7 H6 93.1 . . . no
H2 C7 H6 93.1 . . . no
H2 C7 H7 115.3 . . . no
H2 C7 H7 115.3 . . . no
H3 C7 H3 32.8 . . . no
H3 C7 H6 75.5 . . . no
H3 C7 H6 108.1 . . . no
H3 C7 H7 94.5 . . . no
H3 C7 H7 115.3 . . . no
H3 C7 H6 108.1 7 7 7 no
H3 C7 H6 75.5 7 7 7 no
H3 C7 H7 115.3 7 7 7 no
H3 C7 H7 94.5 7 7 7 no
H6 C7 H6 167.9 . . . no
H6 C7 H7 45.8 . . . no
H6 C7 H7 122.1 . . . no
H6 C7 H7 122.1 7 7 7 no
H6 C7 H7 45.8 7 7 7 no
H7 C7 H7 76.3 . . . no
O1 C8 O2 86.6(5) . . . ?
O1 C8 O3 61.5(4) . . . ?
O1 C8 N1 43.6(2) . . . ?
O1 C8 C1 21.54(13) . . . ?
O1 C8 C4 64.9(1) . . . ?
O1 C8 C5 89.1(2) . . . ?
O1 C8 C7 51.7(6) . . . ?
O1 C8 C8 69.6(6) . . . ?
O1 C8 C9 129.2(4) . . . ?
O1 C8 C9 91.5(6) . . . ?
O1 C8 C10 112.6(5) . . . ?
O1 C8 C11 119.9(4) . . . ?
O1 C8 H3 101.7 . . . no
O1 C8 H3 91.0 . . . no
O1 C8 H6 90.1 . . . no
O1 C8 H6 64.2 . . . no
O1 C8 H6 104.8 . . . no
O1 C8 H7 136.2 . . . no
O1 C8 H7 91.3 . . . no
O1 C8 H7 128.1 . . . no
O1 C8 H7 69.1 . . . no
O1 C8 H8 132.3 . . . no
O1 C8 H9 65.3 . . . no
O2 C8 O3 33.43(11) . . . ?
O2 C8 N1 66.1(3) . . . ?
O2 C8 C1 71.3(5) . . . ?
O2 C8 C4 54.22(10) . . . ?
O2 C8 C5 58.4(4) . . . ?
O2 C8 C7 95.4(4) . . . ?
O2 C8 C8 123.5(4) . . . ?
O2 C8 C9 140.0(4) . . . ?
O2 C8 C9 149.8(4) . . . ?
O2 C8 C10 159.4(3) . . . ?
O2 C8 C11 153.5(2) . . . ?
O2 C8 H3 52.0 . . . no
O2 C8 H3 74.1 . . . no
O2 C8 H6 31.3 . . . no
O2 C8 H6 115.7 . . . no
O2 C8 H6 49.1 . . . no
O2 C8 H7 118.3 . . . no
O2 C8 H7 149.6 . . . no
O2 C8 H7 84.2 . . . no
O2 C8 H7 128.1 . . . no
O2 C8 H8 140.2 . . . no
O2 C8 H9 80.0 . . . no
O3 C8 N1 64.2(2) . . . ?
O3 C8 C1 55.1(2) . . . ?
O3 C8 C4 65.9(5) . . . ?
O3 C8 C5 82.3(6) . . . ?
O3 C8 C7 94.5(3) . . . ?
O3 C8 C8 123.6(2) . . . ?
O3 C8 C9 143.3(4) . . . ?
O3 C8 C9 152.2(2) . . . ?
O3 C8 C10 164.9(3) . . . ?
O3 C8 C11 158.4(2) . . . ?
O3 C8 H3 81.3 . . . no
O3 C8 H3 96.8 . . . no
O3 C8 H6 29.6 . . . no
O3 C8 H6 115.6 . . . no
O3 C8 H6 48.7 . . . no
O3 C8 H7 120.4 . . . no
O3 C8 H7 151.9 . . . no
O3 C8 H7 85.1 . . . no
O3 C8 H7 96.4 . . . no
O3 C8 H8 150.5 . . . no
O3 C8 H9 50.9 . . . no
N1 C8 C1 23.3(2) . . . ?
N1 C8 C4 21.9(2) . . . ?
N1 C8 C5 45.5(3) . . . ?
N1 C8 C7 31.2(2) . . . ?
N1 C8 C8 61.35(13) . . . ?
N1 C8 C9 151.0(4) . . . ?
N1 C8 C9 92.2(2) . . . ?
N1 C8 C10 122.5(2) . . . ?
N1 C8 C11 133.6(2) . . . ?
N1 C8 H3 58.5 . . . no
N1 C8 H3 49.3 . . . no
N1 C8 H6 89.6 . . . no
N1 C8 H6 53.0 . . . no
N1 C8 H6 110.5 . . . no
N1 C8 H7 175.3 . . . no
N1 C8 H7 91.9 . . . no
N1 C8 H7 148.3 . . . no
N1 C8 H7 111.9 . . . no
N1 C8 H8 145.2 . . . no
N1 C8 H9 99.8 . . . no
C1 C8 C4 43.6(2) . . . ?
C1 C8 C5 68.4(2) . . . ?
C1 C8 C7 42.5(4) . . . ?
C1 C8 C8 69.0(3) . . . ?
C1 C8 C9 148.0(4) . . . ?
C1 C8 C9 97.4(3) . . . ?
C1 C8 C10 124.7(4) . . . ?
C1 C8 C11 134.5(4) . . . ?
C1 C8 H3 80.3 . . . no
C1 C8 H3 72.5 . . . no
C1 C8 H6 84.5 . . . no
C1 C8 H6 61.5 . . . no
C1 C8 H6 103.6 . . . no
C1 C8 H7 157.4 . . . no
C1 C8 H7 97.1 . . . no
C1 C8 H7 137.1 . . . no
C1 C8 H7 90.6 . . . no
C1 C8 H8 148.3 . . . no
C1 C8 H9 78.3 . . . no
C4 C8 C5 25.1(2) . . . ?
C4 C8 C7 42.3(4) . . . ?
C4 C8 C8 69.3(4) . . . ?
C4 C8 C9 149.5(4) . . . ?
C4 C8 C9 98.0(4) . . . ?
C4 C8 C10 125.9(4) . . . ?
C4 C8 C11 135.6(3) . . . ?
C4 C8 H3 36.9 . . . no
C4 C8 H3 33.8 . . . no
C4 C8 H6 83.6 . . . no
C4 C8 H6 61.6 . . . no
C4 C8 H6 103.2 . . . no
C4 C8 H7 158.9 . . . no
C4 C8 H7 97.7 . . . no
C4 C8 H7 137.3 . . . no
C4 C8 H7 133.7 . . . no
C4 C8 H8 141.1 . . . no
C4 C8 H9 112.1 . . . no
C5 C8 C7 53.2(7) . . . ?
C5 C8 C8 70.3(7) . . . ?
C5 C8 C9 127.7(4) . . . ?
C5 C8 C9 91.4(7) . . . ?
C5 C8 C10 112.2(5) . . . ?
C5 C8 C11 118.8(4) . . . ?
C5 C8 H3 15.1 . . . no
C5 C8 H3 15.7 . . . no
C5 C8 H6 89.5 . . . no
C5 C8 H6 64.9 . . . no
C5 C8 H6 104.2 . . . no
C5 C8 H7 134.3 . . . no
C5 C8 H7 91.2 . . . no
C5 C8 H7 126.7 . . . no
C5 C8 H7 155.4 . . . no
C5 C8 H8 119.5 . . . no
C5 C8 H9 132.8 . . . no
C7 C8 C8 30.1(3) . . . ?
C7 C8 C9 119.7(4) . . . ?
C7 C8 C9 61.0(3) . . . ?
C7 C8 C10 91.2(3) . . . ?
C7 C8 C11 102.3(3) . . . ?
C7 C8 H3 68.2 . . . no
C7 C8 H3 45.9 . . . no
C7 C8 H6 120.9 . . . no
C7 C8 H6 21.8 . . . no
C7 C8 H6 141.8 . . . no
C7 C8 H7 144.0 . . . no
C7 C8 H7 60.6 . . . no
C7 C8 H7 179.6 . . . no
C7 C8 H7 102.7 . . . no
C7 C8 H8 114.4 . . . no
C7 C8 H9 117.0 . . . no
C8 C8 C9 89.6(3) 7 7 7 ?
C8 C8 C9 30.84(12) 7 7 7 ?
C8 C8 C10 61.1(1) 7 7 7 ?
C8 C8 C11 72.21(11) 7 7 7 ?
C8 C8 H3 82.8 7 7 7 no
C8 C8 H3 56.7 7 7 7 no
C8 C8 H6 151.0 7 7 7 no
C8 C8 H6 8.3 7 7 7 no
C8 C8 H6 171.9 7 7 7 no
C8 C8 H7 113.9 7 7 7 no
C8 C8 H7 30.5 7 7 7 no
C8 C8 H7 150.3 7 7 7 no
C8 C8 H7 90.8 7 7 7 no
C8 C8 H8 84.5 7 7 7 no
C8 C8 H9 127.2 7 7 7 no
C9 C8 C9 58.8(3) . . . ?
C9 C8 C10 28.5(2) . . . ?
C9 C8 C11 17.4(2) . . . ?
C9 C8 H3 121.7 . . . no
C9 C8 H3 116.1 . . . no
C9 C8 H6 119.4 . . . no
C9 C8 H6 98.0 . . . no
C9 C8 H6 98.5 . . . no
C9 C8 H7 24.3 . . . no
C9 C8 H7 59.1 . . . no
C9 C8 H7 60.7 . . . no
C9 C8 H7 65.3 . . . no
C9 C8 H8 8.4 . . . no
C9 C8 H9 98.1 . . . no
C9 C8 C10 30.26(12) 7 7 7 ?
C9 C8 C11 41.36(12) 7 7 7 ?
C9 C8 H3 99.3 7 7 7 no
C9 C8 H3 75.9 7 7 7 no
C9 C8 H6 178.1 7 7 7 no
C9 C8 H6 39.2 7 7 7 no
C9 C8 H6 157.3 7 7 7 no
C9 C8 H7 83.1 7 7 7 no
C9 C8 H7 0.3 7 7 7 no
C9 C8 H7 119.5 7 7 7 no
C9 C8 H7 78.3 7 7 7 no
C9 C8 H8 53.9 7 7 7 no
C9 C8 H9 126.2 7 7 7 no
C10 C8 C11 11.10(7) . . . ?
C10 C8 H3 113.8 . . . no
C10 C8 H3 97.2 . . . no
C10 C8 H6 147.9 . . . no
C10 C8 H6 69.4 . . . no
C10 C8 H6 127.0 . . . no
C10 C8 H7 52.8 . . . no
C10 C8 H7 30.6 . . . no
C10 C8 H7 89.2 . . . no
C10 C8 H7 68.7 . . . no
C10 C8 H8 24.3 . . . no
C10 C8 H9 114.2 . . . no
C11 C8 H3 117.5 . . . no
C11 C8 H3 104.7 . . . no
C11 C8 H6 136.8 . . . no
C11 C8 H6 80.5 . . . no
C11 C8 H6 115.9 . . . no
C11 C8 H7 41.7 . . . no
C11 C8 H7 41.7 . . . no
C11 C8 H7 78.1 . . . no
C11 C8 H7 66.9 . . . no
C11 C8 H8 13.9 . . . no
C11 C8 H9 108.5 . . . no
H3 C8 H3 26.1 . . . no
H3 C8 H6 81.3 . . . no
H3 C8 H6 78.3 . . . no
H3 C8 H6 92.8 . . . no
H3 C8 H7 122.1 . . . no
H3 C8 H7 99.1 . . . no
H3 C8 H7 111.7 . . . no
H3 C8 H7 170.3 . . . no
H3 C8 H8 114.3 . . . no
H3 C8 H9 131.5 . . . no
H3 C8 H6 105.1 7 7 7 no
H3 C8 H6 52.5 7 7 7 no
H3 C8 H6 118.7 7 7 7 no
H3 C8 H7 128.8 7 7 7 no
H3 C8 H7 75.6 7 7 7 no
H3 C8 H7 134.1 7 7 7 no
H3 C8 H7 146.8 7 7 7 no
H3 C8 H8 107.7 7 7 7 no
H3 C8 H9 145.8 7 7 7 no
H6 C8 H6 142.6 . . . no
H6 C8 H6 20.9 . . . no
H6 C8 H7 95.1 . . . no
H6 C8 H7 178.5 . . . no
H6 C8 H7 58.7 . . . no
H6 C8 H7 101.3 . . . no
H6 C8 H8 124.3 . . . no
H6 C8 H9 53.8 . . . no
H6 C8 H6 163.5 7 7 7 no
H6 C8 H7 122.3 7 7 7 no
H6 C8 H7 38.9 7 7 7 no
H6 C8 H7 158.7 7 7 7 no
H6 C8 H7 94.4 7 7 7 no
H6 C8 H8 92.7 7 7 7 no
H6 C8 H9 125.5 7 7 7 no
H6 C8 H7 74.2 7_545 7_545 7_545 no
H6 C8 H7 157.6 7_545 7_545 7_545 no
H6 C8 H7 37.8 7_545 7_545 7_545 no
H6 C8 H7 92.7 7_545 7_545 7_545 no
H6 C8 H8 103.6 7_545 7_545 7_545 no
H6 C8 H9 51.9 7_545 7_545 7_545 no
H7 C8 H7 83.4 . . . no
H7 C8 H7 36.4 . . . no
H7 C8 H7 67.2 . . . no
H7 C8 H8 30.2 . . . no
H7 C8 H9 83.2 . . . no
H7 C8 H7 119.8 7 7 7 no
H7 C8 H7 78.5 7 7 7 no
H7 C8 H8 54.2 7 7 7 no
H7 C8 H9 126.3 7 7 7 no
H7 C8 H7 77.4 7_545 7_545 7_545 no
H7 C8 H8 66.1 7_545 7_545 7_545 no
H7 C8 H9 62.8 7_545 7_545 7_545 no
H7 C8 H8 72.1 5_655 5_655 5_655 no
H7 C8 H9 48.5 5_655 5_655 5_655 no
H8 C8 H9 106.5 . . . no
N1 C9 C7 11.09(7) . . . ?
N1 C9 C8 18.6(2) . . . ?
N1 C9 C8 40.96(11) . . . ?
N1 C9 C9 71.81(11) . . . ?
N1 C9 C9 105.0(3) . . . ?
N1 C9 C10 103.9(3) . . . ?
N1 C9 C11 134.5(2) . . . ?
N1 C9 H3 41.4 . . . no
N1 C9 H3 147.1 . . . no
N1 C9 H6 42.7 . . . no
N1 C9 H6 41.4 . . . no
N1 C9 H6 78.6 . . . no
N1 C9 H7 137.8 . . . no
N1 C9 H7 80.4 . . . no
N1 C9 H7 116.4 . . . no
N1 C9 H7 94.1 . . . no
N1 C9 H8 151.7 . . . no
N1 C9 H8 124.2 . . . no
N1 C9 H9 134.7 . . . no
N1 C9 H9 73.0 . . . no
C7 C9 C8 29.6(2) . . . ?
C7 C9 C8 29.87(12) . . . ?
C7 C9 C9 60.7(2) . . . ?
C7 C9 C9 106.6(5) . . . ?
C7 C9 C10 92.8(3) . . . ?
C7 C9 C11 123.4(2) . . . ?
C7 C9 H3 45.0 . . . no
C7 C9 H3 147.0 . . . no
C7 C9 H6 53.8 . . . no
C7 C9 H6 30.3 . . . no
C7 C9 H6 89.7 . . . no
C7 C9 H7 148.9 . . . no
C7 C9 H7 69.3 . . . no
C7 C9 H7 127.5 . . . no
C7 C9 H7 93.9 . . . no
C7 C9 H8 141.2 . . . no
C7 C9 H8 113.3 . . . no
C7 C9 H9 124.5 . . . no
C7 C9 H9 80.8 . . . no
C8 C9 C8 59.5(3) . . . ?
C8 C9 C9 90.4(3) . . . ?
C8 C9 C9 101.0(4) . . . ?
C8 C9 C10 122.4(4) . . . ?
C8 C9 C11 153.1(4) . . . ?
C8 C9 H3 40.8 . . . no
C8 C9 H3 140.5 . . . no
C8 C9 H6 24.2 . . . no
C8 C9 H6 60.0 . . . no
C8 C9 H6 60.1 . . . no
C8 C9 H7 119.2 . . . no
C8 C9 H7 98.9 . . . no
C8 C9 H7 97.9 . . . no
C8 C9 H7 93.9 . . . no
C8 C9 H8 167.2 . . . no
C8 C9 H8 142.4 . . . no
C8 C9 H9 150.6 . . . no
C8 C9 H9 60.9 . . . no
C8 C9 C9 30.84(12) 7 7 7 ?
C8 C9 C9 107.8(8) 7 7 7 ?
C8 C9 C10 62.9(3) 7 7 7 ?
C8 C9 C11 93.6(2) 7 7 7 ?
C8 C9 H3 62.0 7 7 7 no
C8 C9 H3 133.1 7 7 7 no
C8 C9 H6 83.7 7 7 7 no
C8 C9 H6 0.5 7 7 7 no
C8 C9 H6 119.6 7 7 7 no
C8 C9 H7 178.7 7 7 7 no
C8 C9 H7 39.4 7 7 7 no
C8 C9 H7 157.4 7 7 7 no
C8 C9 H7 92.9 7 7 7 no
C8 C9 H8 112.1 7 7 7 no
C8 C9 H8 83.7 7 7 7 no
C8 C9 H9 96.3 7 7 7 no
C8 C9 H9 102.3 7 7 7 no
C9 C9 C9 103.9(10) 7 7 7 ?
C9 C9 C10 32.1(3) 7 7 7 ?
C9 C9 C11 62.7(1) 7 7 7 ?
C9 C9 H3 84.6 7 7 7 no
C9 C9 H3 109.5 7 7 7 no
C9 C9 H6 114.5 7 7 7 no
C9 C9 H6 30.4 7 7 7 no
C9 C9 H6 150.4 7 7 7 no
C9 C9 H7 150.4 7 7 7 no
C9 C9 H7 8.6 7 7 7 no
C9 C9 H7 171.8 7 7 7 no
C9 C9 H7 91.0 7 7 7 no
C9 C9 H8 81.8 7 7 7 no
C9 C9 H8 53.2 7 7 7 no
C9 C9 H9 67.0 7 7 7 no
C9 C9 H9 122.4 7 7 7 no
C9 C9 C10 95.4(9) 5_655 5_655 5_655 ?
C9 C9 C11 86.6(5) 5_655 5_655 5_655 ?
C9 C9 H3 141.5 5_655 5_655 5_655 no
C9 C9 H3 106.4 5_655 5_655 5_655 no
C9 C9 H6 94.5 5_655 5_655 5_655 no
C9 C9 H6 107.9 5_655 5_655 5_655 no
C9 C9 H6 83.5 5_655 5_655 5_655 no
C9 C9 H7 72.3 5_655 5_655 5_655 no
C9 C9 H7 102.1 5_655 5_655 5_655 no
C9 C9 H7 74.6 5_655 5_655 5_655 no
C9 C9 H7 14.9 5_655 5_655 5_655 no
C9 C9 H8 90.8 5_655 5_655 5_655 no
C9 C9 H8 97.3 5_655 5_655 5_655 no
C9 C9 H9 68.8 5_655 5_655 5_655 no
C9 C9 H9 46.0 5_655 5_655 5_655 no
C10 C9 C11 30.7(2) . . . ?
C10 C9 H3 109.2 . . . no
C10 C9 H3 82.9 . . . no
C10 C9 H6 146.6 . . . no
C10 C9 H6 62.5 . . . no
C10 C9 H6 177.5 . . . no
C10 C9 H7 118.3 . . . no
C10 C9 H7 23.5 . . . no
C10 C9 H7 139.7 . . . no
C10 C9 H7 88.3 . . . no
C10 C9 H8 50.4 . . . no
C10 C9 H8 22.4 . . . no
C10 C9 H9 37.3 . . . no
C10 C9 H9 134.9 . . . no
C11 C9 H3 129.1 . . . no
C11 C9 H3 57.6 . . . no
C11 C9 H6 177.3 . . . no
C11 C9 H6 93.1 . . . no
C11 C9 H6 146.8 . . . no
C11 C9 H7 87.7 . . . no
C11 C9 H7 54.2 . . . no
C11 C9 H7 109.0 . . . no
C11 C9 H7 87.0 . . . no
C11 C9 H8 21.3 . . . no
C11 C9 H8 12.8 . . . no
C11 C9 H9 17.9 . . . no
C11 C9 H9 132.5 . . . no
H3 C9 H3 105.7 . . . no
H3 C9 H6 49.3 . . . no
H3 C9 H6 62.3 . . . no
H3 C9 H6 72.9 . . . no
H3 C9 H7 117.1 . . . no
H3 C9 H7 91.1 . . . no
H3 C9 H7 101.6 . . . no
H3 C9 H7 134.2 . . . no
H3 C9 H8 127.7 . . . no
H3 C9 H8 116.8 . . . no
H3 C9 H9 144.8 . . . no
H3 C9 H9 97.5 . . . no
H3 C9 H6 124.3 5_656 5_656 5_656 no
H3 C9 H6 132.7 5_656 5_656 5_656 no
H3 C9 H6 95.2 5_656 5_656 5_656 no
H3 C9 H7 47.7 5_656 5_656 5_656 no
H3 C9 H7 102.4 5_656 5_656 5_656 no
H3 C9 H7 63.8 5_656 5_656 5_656 no
H3 C9 H7 118.5 5_656 5_656 5_656 no
H3 C9 H8 36.9 5_656 5_656 5_656 no
H3 C9 H8 60.9 5_656 5_656 5_656 no
H3 C9 H9 67.7 5_656 5_656 5_656 no
H3 C9 H9 124.6 5_656 5_656 5_656 no
H6 C9 H6 84.2 . . . no
H6 C9 H6 35.9 . . . no
H6 C9 H7 95.0 . . . no
H6 C9 H7 123.1 . . . no
H6 C9 H7 73.7 . . . no
H6 C9 H7 93.3 . . . no
H6 C9 H8 160.9 . . . no
H6 C9 H8 164.9 . . . no
H6 C9 H9 162.6 . . . no
H6 C9 H9 48.7 . . . no
H6 C9 H6 120.1 7 7 7 no
H6 C9 H7 179.2 7 7 7 no
H6 C9 H7 38.9 7 7 7 no
H6 C9 H7 157.9 7 7 7 no
H6 C9 H7 93.0 7 7 7 no
H6 C9 H8 111.6 7 7 7 no
H6 C9 H8 83.2 7 7 7 no
H6 C9 H9 95.9 7 7 7 no
H6 C9 H9 102.7 7 7 7 no
H6 C9 H7 59.2 7_545 7_545 7_545 no
H6 C9 H7 159.0 7_545 7_545 7_545 no
H6 C9 H7 37.8 7_545 7_545 7_545 no
H6 C9 H7 91.2 7_545 7_545 7_545 no
H6 C9 H8 127.2 7_545 7_545 7_545 no
H6 C9 H8 155.4 7_545 7_545 7_545 no
H6 C9 H9 140.3 7_545 7_545 7_545 no
H6 C9 H9 45.3 7_545 7_545 7_545 no
H7 C9 H7 141.9 . . . no
H7 C9 H7 21.3 . . . no
H7 C9 H7 87.2 . . . no
H7 C9 H8 69.1 . . . no
H7 C9 H8 97.5 . . . no
H7 C9 H9 84.9 . . . no
H7 C9 H9 76.9 . . . no
H7 C9 H7 163.2 7 7 7 no
H7 C9 H7 90.4 7 7 7 no
H7 C9 H8 73.3 7 7 7 no
H7 C9 H8 44.8 7 7 7 no
H7 C9 H9 58.9 7 7 7 no
H7 C9 H9 127.0 7 7 7 no
H7 C9 H7 88.5 7_545 7_545 7_545 no
H7 C9 H8 90.1 7_545 7_545 7_545 no
H7 C9 H8 118.6 7_545 7_545 7_545 no
H7 C9 H9 105.2 7_545 7_545 7_545 no
H7 C9 H9 62.5 7_545 7_545 7_545 no
H7 C9 H8 96.3 5_655 5_655 5_655 no
H7 C9 H8 95.6 5_655 5_655 5_655 no
H7 C9 H9 69.2 5_655 5_655 5_655 no
H7 C9 H9 48.2 5_655 5_655 5_655 no
H8 C9 H8 28.5 . . . no
H8 C9 H9 31.8 . . . no
H8 C9 H9 132.0 . . . no
H8 C9 H9 28.8 7 7 7 no
H8 C9 H9 143.1 7 7 7 no
H9 C9 H9 114.9 . . . no
C7 C10 C8 28.89(12) . . . ?
C7 C10 C8 28.89(12) . . . ?
C7 C10 C9 57.9(3) . . . ?
C7 C10 C9 57.9(3) . . . ?
C7 C10 C11 179.3(4) . . . ?
C7 C10 H3 124.7 . . . no
C7 C10 H3 124.7 . . . no
C7 C10 H6 37.9 . . . no
C7 C10 H6 37.9 . . . no
C7 C10 H7 82.8 . . . no
C7 C10 H7 82.8 . . . no
C7 C10 H7 82.8 . . . no
C7 C10 H7 82.8 . . . no
C7 C10 H8 153.4 . . . no
C7 C10 H8 153.4 . . . no
C7 C10 H9 154.6 . . . no
C8 C10 C8 57.8(2) . . . ?
C8 C10 C9 29.0(2) . . . ?
C8 C10 C9 86.8(3) . . . ?
C8 C10 C11 151.10(12) . . . ?
C8 C10 H3 143.2 . . . no
C8 C10 H3 101.2 . . . no
C8 C10 H6 9.0 . . . no
C8 C10 H6 66.7 . . . no
C8 C10 H7 53.9 . . . no
C8 C10 H7 111.7 . . . no
C8 C10 H7 92.8 . . . no
C8 C10 H7 74.7 . . . no
C8 C10 H8 126.7 . . . no
C8 C10 H8 165.3 . . . no
C8 C10 H9 142.3 . . . no
C8 C10 C9 86.8(3) 7 7 7 ?
C8 C10 C9 29.0(2) 7 7 7 ?
C8 C10 C11 151.10(12) 7 7 7 ?
C8 C10 H3 101.2 7 7 7 no
C8 C10 H3 143.2 7 7 7 no
C8 C10 H6 66.7 7 7 7 no
C8 C10 H6 9.0 7 7 7 no
C8 C10 H7 111.7 7 7 7 no
C8 C10 H7 53.9 7 7 7 no
C8 C10 H7 74.7 7 7 7 no
C8 C10 H7 92.8 7 7 7 no
C8 C10 H8 165.3 7 7 7 no
C8 C10 H8 126.7 7 7 7 no
C8 C10 H9 142.3 7 7 7 no
C9 C10 C9 115.8(5) . . . ?
C9 C10 C11 122.1(3) . . . ?
C9 C10 H3 146.1 . . . no
C9 C10 H3 76.6 . . . no
C9 C10 H6 20.1 . . . no
C9 C10 H6 95.8 . . . no
C9 C10 H7 24.9 . . . no
C9 C10 H7 140.7 . . . no
C9 C10 H7 102.3 . . . no
C9 C10 H7 70.5 . . . no
C9 C10 H8 98.6 . . . no
C9 C10 H8 142.9 . . . no
C9 C10 H9 118.8 . . . no
C9 C10 C11 122.1(3) 7 7 7 ?
C9 C10 H3 76.6 7 7 7 no
C9 C10 H3 146.1 7 7 7 no
C9 C10 H6 95.8 7 7 7 no
C9 C10 H6 20.1 7 7 7 no
C9 C10 H7 140.7 7 7 7 no
C9 C10 H7 24.9 7 7 7 no
C9 C10 H7 70.5 7 7 7 no
C9 C10 H7 102.3 7 7 7 no
C9 C10 H8 142.9 7 7 7 no
C9 C10 H8 98.6 7 7 7 no
C9 C10 H9 118.8 7 7 7 no
C11 C10 H3 54.9 . . . no
C11 C10 H3 54.9 . . . no
C11 C10 H6 142.1 . . . no
C11 C10 H6 142.1 . . . no
C11 C10 H7 97.2 . . . no
C11 C10 H7 97.2 . . . no
C11 C10 H7 97.8 . . . no
C11 C10 H7 97.8 . . . no
C11 C10 H8 26.3 . . . no
C11 C10 H8 26.3 . . . no
C11 C10 H9 26.1 . . . no
H3 C10 H3 77.7 3_656 3_656 3_656 no
H3 C10 H6 146.4 3_656 3_656 3_656 no
H3 C10 H6 93.6 3_656 3_656 3_656 no
H3 C10 H7 133.7 3_656 3_656 3_656 no
H3 C10 H7 56.4 3_656 3_656 3_656 no
H3 C10 H7 111.5 3_656 3_656 3_656 no
H3 C10 H7 140.6 3_656 3_656 3_656 no
H3 C10 H8 66.9 3_656 3_656 3_656 no
H3 C10 H8 29.3 3_656 3_656 3_656 no
H3 C10 H9 73.4 3_656 3_656 3_656 no
H3 C10 H6 93.6 5_656 5_656 5_656 no
H3 C10 H6 146.4 5_656 5_656 5_656 no
H3 C10 H7 56.4 5_656 5_656 5_656 no
H3 C10 H7 133.7 5_656 5_656 5_656 no
H3 C10 H7 140.6 5_656 5_656 5_656 no
H3 C10 H7 111.5 5_656 5_656 5_656 no
H3 C10 H8 29.3 5_656 5_656 5_656 no
H3 C10 H8 66.9 5_656 5_656 5_656 no
H3 C10 H9 73.4 5_656 5_656 5_656 no
H6 C10 H6 75.7 . . . no
H6 C10 H7 44.9 . . . no
H6 C10 H7 120.7 . . . no
H6 C10 H7 95.9 . . . no
H6 C10 H7 72.9 . . . no
H6 C10 H8 118.1 . . . no
H6 C10 H8 160.1 . . . no
H6 C10 H9 135.6 . . . no
H6 C10 H7 120.7 7 7 7 no
H6 C10 H7 44.9 7 7 7 no
H6 C10 H7 72.9 7 7 7 no
H6 C10 H7 95.9 7 7 7 no
H6 C10 H8 160.1 7 7 7 no
H6 C10 H8 118.1 7 7 7 no
H6 C10 H9 135.6 7 7 7 no
H7 C10 H7 165.6 . . . no
H7 C10 H7 108.1 . . . no
H7 C10 H7 70.6 . . . no
H7 C10 H8 74.4 . . . no
H7 C10 H8 119.4 . . . no
H7 C10 H9 96.6 . . . no
H7 C10 H7 70.6 7 7 7 no
H7 C10 H7 108.1 7 7 7 no
H7 C10 H8 119.4 7 7 7 no
H7 C10 H8 74.4 7 7 7 no
H7 C10 H9 96.6 7 7 7 no
H7 C10 H7 37.7 3_655 3_655 3_655 no
H7 C10 H8 116.9 3_655 3_655 3_655 no
H7 C10 H8 101.9 3_655 3_655 3_655 no
H7 C10 H9 73.1 3_655 3_655 3_655 no
H7 C10 H8 101.9 5_655 5_655 5_655 no
H7 C10 H8 116.9 5_655 5_655 5_655 no
H7 C10 H9 73.1 5_655 5_655 5_655 no
H8 C10 H8 45.0 . . . no
H8 C10 H9 44.9 . . . no
H8 C10 H9 44.9 7 7 7 no
O1 C11 O1 107.8(2) 3_645 3_645 3_645 ?
O1 C11 O2 90.9(7) 3_645 3_645 3_645 ?
O1 C11 O3 54.8(6) 3_645 3_645 3_645 ?
O1 C11 C5 50.54(11) 3_645 3_645 3_645 ?
O1 C11 C5 130.8(4) 3_645 3_645 3_645 ?
O1 C11 C6 63.0(2) 3_645 3_645 3_645 ?
O1 C11 C8 103.2(1) 3_645 3_645 3_645 ?
O1 C11 C8 136.3(2) 3_645 3_645 3_645 ?
O1 C11 C9 94.2(2) 3_645 3_645 3_645 ?
O1 C11 C9 144.5(2) 3_645 3_645 3_645 ?
O1 C11 C10 119.8(2) 3_645 3_645 3_645 ?
O1 C11 H2 38.5 3_645 3_645 3_645 no
O1 C11 H2 122.1 3_645 3_645 3_645 no
O1 C11 H3 134.0 3_645 3_645 3_645 no
O1 C11 H3 59.0 3_645 3_645 3_645 no
O1 C11 H4 70.7 3_645 3_645 3_645 no
O1 C11 H5 74.0 3_645 3_645 3_645 no
O1 C11 H5 46.9 3_645 3_645 3_645 no
O1 C11 H6 85.6 3_645 3_645 3_645 no
O1 C11 H6 53.4 3_645 3_645 3_645 no
O1 C11 H7 74.2 3_645 3_645 3_645 no
O1 C11 H7 159.4 3_645 3_645 3_645 no
O1 C11 H8 47.6 3_645 3_645 3_645 no
O1 C11 H8 130.3 3_645 3_645 3_645 no
O1 C11 H9 62.4 3_645 3_645 3_645 no
O1 C11 O2 90.9(7) 3_655 3_655 3_655 ?
O1 C11 O3 54.8(6) 3_655 3_655 3_655 ?
O1 C11 C5 130.8(4) 3_655 3_655 3_655 ?
O1 C11 C5 50.54(11) 3_655 3_655 3_655 ?
O1 C11 C6 63.0(2) 3_655 3_655 3_655 ?
O1 C11 C8 136.3(2) 3_655 3_655 3_655 ?
O1 C11 C8 103.2(1) 3_655 3_655 3_655 ?
O1 C11 C9 144.5(2) 3_655 3_655 3_655 ?
O1 C11 C9 94.2(2) 3_655 3_655 3_655 ?
O1 C11 C10 119.8(2) 3_655 3_655 3_655 ?
O1 C11 H2 122.1 3_655 3_655 3_655 no
O1 C11 H2 38.5 3_655 3_655 3_655 no
O1 C11 H3 59.0 3_655 3_655 3_655 no
O1 C11 H3 134.0 3_655 3_655 3_655 no
O1 C11 H4 70.7 3_655 3_655 3_655 no
O1 C11 H5 46.9 3_655 3_655 3_655 no
O1 C11 H5 74.0 3_655 3_655 3_655 no
O1 C11 H6 53.4 3_655 3_655 3_655 no
O1 C11 H6 85.6 3_655 3_655 3_655 no
O1 C11 H7 159.4 3_655 3_655 3_655 no
O1 C11 H7 74.2 3_655 3_655 3_655 no
O1 C11 H8 130.3 3_655 3_655 3_655 no
O1 C11 H8 47.6 3_655 3_655 3_655 no
O1 C11 H9 62.4 3_655 3_655 3_655 no
O2 C11 O3 103.2(2) 3_656 3_656 3_656 ?
O2 C11 C5 52.9(5) 3_656 3_656 3_656 ?
O2 C11 C5 52.9(5) 3_656 3_656 3_656 ?
O2 C11 C6 51.95(13) 3_656 3_656 3_656 ?
O2 C11 C8 118.8(4) 3_656 3_656 3_656 ?
O2 C11 C8 118.8(4) 3_656 3_656 3_656 ?
O2 C11 C9 116.7(5) 3_656 3_656 3_656 ?
O2 C11 C9 116.7(5) 3_656 3_656 3_656 ?
O2 C11 C10 120.8(4) 3_656 3_656 3_656 ?
O2 C11 H2 57.6 3_656 3_656 3_656 no
O2 C11 H2 57.6 3_656 3_656 3_656 no
O2 C11 H3 49.5 3_656 3_656 3_656 no
O2 C11 H3 49.5 3_656 3_656 3_656 no
O2 C11 H4 35.6 3_656 3_656 3_656 no
O2 C11 H5 60.0 3_656 3_656 3_656 no
O2 C11 H5 60.0 3_656 3_656 3_656 no
O2 C11 H6 140.4 3_656 3_656 3_656 no
O2 C11 H6 140.4 3_656 3_656 3_656 no
O2 C11 H7 109.6 3_656 3_656 3_656 no
O2 C11 H7 109.6 3_656 3_656 3_656 no
O2 C11 H8 54.9 3_656 3_656 3_656 no
O2 C11 H8 54.9 3_656 3_656 3_656 no
O2 C11 H9 129.7 3_656 3_656 3_656 no
O3 C11 C5 97.9(6) 3_655 3_655 3_655 ?
O3 C11 C5 97.9(6) 3_655 3_655 3_655 ?
O3 C11 C6 51.27(13) 3_655 3_655 3_655 ?
O3 C11 C8 133.6(4) 3_655 3_655 3_655 ?
O3 C11 C8 133.6(4) 3_655 3_655 3_655 ?
O3 C11 C9 130.0(5) 3_655 3_655 3_655 ?
O3 C11 C9 130.0(5) 3_655 3_655 3_655 ?
O3 C11 C10 135.9(4) 3_655 3_655 3_655 ?
O3 C11 H2 84.3 3_655 3_655 3_655 no
O3 C11 H2 84.3 3_655 3_655 3_655 no
O3 C11 H3 106.3 3_655 3_655 3_655 no
O3 C11 H3 106.3 3_655 3_655 3_655 no
O3 C11 H4 67.6 3_655 3_655 3_655 no
O3 C11 H5 46.2 3_655 3_655 3_655 no
O3 C11 H5 46.2 3_655 3_655 3_655 no
O3 C11 H6 44.6 3_655 3_655 3_655 no
O3 C11 H6 44.6 3_655 3_655 3_655 no
O3 C11 H7 118.8 3_655 3_655 3_655 no
O3 C11 H7 118.8 3_655 3_655 3_655 no
O3 C11 H8 95.4 3_655 3_655 3_655 no
O3 C11 H8 95.4 3_655 3_655 3_655 no
O3 C11 H9 26.5 3_655 3_655 3_655 no
C5 C11 C5 105.8(2) 3_646 3_646 3_646 ?
C5 C11 C6 68.2(2) 3_646 3_646 3_646 ?
C5 C11 C8 92.7(3) 3_646 3_646 3_646 ?
C5 C11 C8 122.3(2) 3_646 3_646 3_646 ?
C5 C11 C9 84.6(3) 3_646 3_646 3_646 ?
C5 C11 C9 129.6(3) 3_646 3_646 3_646 ?
C5 C11 C10 108.0(3) 3_646 3_646 3_646 ?
C5 C11 H2 13.6 3_646 3_646 3_646 no
C5 C11 H2 108.9 3_646 3_646 3_646 no
C5 C11 H3 101.9 3_646 3_646 3_646 no
C5 C11 H3 8.7 3_646 3_646 3_646 no
C5 C11 H4 60.6 3_646 3_646 3_646 no
C5 C11 H5 84.2 3_646 3_646 3_646 no
C5 C11 H5 59.8 3_646 3_646 3_646 no
C5 C11 H6 136.1 3_646 3_646 3_646 no
C5 C11 H6 102.0 3_646 3_646 3_646 no
C5 C11 H7 66.9 3_646 3_646 3_646 no
C5 C11 H7 143.1 3_646 3_646 3_646 no
C5 C11 H8 2.9 3_646 3_646 3_646 no
C5 C11 H8 107.8 3_646 3_646 3_646 no
C5 C11 H9 112.6 3_646 3_646 3_646 no
C5 C11 C6 68.2(2) 3_656 3_656 3_656 ?
C5 C11 C8 122.3(2) 3_656 3_656 3_656 ?
C5 C11 C8 92.7(3) 3_656 3_656 3_656 ?
C5 C11 C9 129.6(3) 3_656 3_656 3_656 ?
C5 C11 C9 84.6(3) 3_656 3_656 3_656 ?
C5 C11 C10 108.0(3) 3_656 3_656 3_656 ?
C5 C11 H2 108.9 3_656 3_656 3_656 no
C5 C11 H2 13.6 3_656 3_656 3_656 no
C5 C11 H3 8.7 3_656 3_656 3_656 no
C5 C11 H3 101.9 3_656 3_656 3_656 no
C5 C11 H4 60.6 3_656 3_656 3_656 no
C5 C11 H5 59.8 3_656 3_656 3_656 no
C5 C11 H5 84.2 3_656 3_656 3_656 no
C5 C11 H6 102.0 3_656 3_656 3_656 no
C5 C11 H6 136.1 3_656 3_656 3_656 no
C5 C11 H7 143.1 3_656 3_656 3_656 no
C5 C11 H7 66.9 3_656 3_656 3_656 no
C5 C11 H8 107.8 3_656 3_656 3_656 no
C5 C11 H8 2.9 3_656 3_656 3_656 no
C5 C11 H9 112.6 3_656 3_656 3_656 no
C6 C11 C8 160.7(2) 2 2 2 ?
C6 C11 C8 160.7(2) 2 2 2 ?
C6 C11 C9 151.8(2) 2 2 2 ?
C6 C11 C9 151.8(2) 2 2 2 ?
C6 C11 C10 172.8(4) 2 2 2 ?
C6 C11 H2 59.3 2 2 2 no
C6 C11 H2 59.3 2 2 2 no
C6 C11 H3 72.9 2 2 2 no
C6 C11 H3 72.9 2 2 2 no
C6 C11 H4 16.3 2 2 2 no
C6 C11 H5 16.1 2 2 2 no
C6 C11 H5 16.1 2 2 2 no
C6 C11 H6 92.4 2 2 2 no
C6 C11 H6 92.4 2 2 2 no
C6 C11 H7 131.2 2 2 2 no
C6 C11 H7 131.2 2 2 2 no
C6 C11 H8 67.4 2 2 2 no
C6 C11 H8 67.4 2 2 2 no
C6 C11 H9 77.8 2 2 2 no
C8 C11 C8 35.6(2) . . . ?
C8 C11 C9 9.47(13) . . . ?
C8 C11 C9 45.1(2) . . . ?
C8 C11 C10 17.80(7) . . . ?
C8 C11 H2 101.4 . . . no
C8 C11 H2 134.0 . . . no
C8 C11 H3 115.5 . . . no
C8 C11 H3 88.4 . . . no
C8 C11 H4 150.4 . . . no
C8 C11 H5 176.7 . . . no
C8 C11 H5 147.6 . . . no
C8 C11 H6 100.3 . . . no
C8 C11 H6 89.0 . . . no
C8 C11 H7 30.6 . . . no
C8 C11 H7 66.1 . . . no
C8 C11 H8 93.3 . . . no
C8 C11 H8 123.9 . . . no
C8 C11 H9 108.9 . . . no
C8 C11 C9 45.1(2) 7 7 7 ?
C8 C11 C9 9.47(13) 7 7 7 ?
C8 C11 C10 17.80(7) 7 7 7 ?
C8 C11 H2 134.0 7 7 7 no
C8 C11 H2 101.4 7 7 7 no
C8 C11 H3 88.4 7 7 7 no
C8 C11 H3 115.5 7 7 7 no
C8 C11 H4 150.4 7 7 7 no
C8 C11 H5 147.6 7 7 7 no
C8 C11 H5 176.7 7 7 7 no
C8 C11 H6 89.0 7 7 7 no
C8 C11 H6 100.3 7 7 7 no
C8 C11 H7 66.1 7 7 7 no
C8 C11 H7 30.6 7 7 7 no
C8 C11 H8 123.9 7 7 7 no
C8 C11 H8 93.3 7 7 7 no
C8 C11 H9 108.9 7 7 7 no
C9 C11 C9 54.5(2) . . . ?
C9 C11 C10 27.27(12) . . . ?
C9 C11 H2 92.5 . . . no
C9 C11 H2 142.0 . . . no
C9 C11 H3 122.1 . . . no
C9 C11 H3 81.1 . . . no
C9 C11 H4 144.3 . . . no
C9 C11 H5 167.3 . . . no
C9 C11 H5 138.1 . . . no
C9 C11 H6 102.9 . . . no
C9 C11 H6 85.9 . . . no
C9 C11 H7 21.1 . . . no
C9 C11 H7 75.6 . . . no
C9 C11 H8 85.0 . . . no
C9 C11 H8 131.5 . . . no
C9 C11 H9 107.6 . . . no
C9 C11 C10 27.27(12) 7 7 7 ?
C9 C11 H2 142.0 7 7 7 no
C9 C11 H2 92.5 7 7 7 no
C9 C11 H3 81.1 7 7 7 no
C9 C11 H3 122.1 7 7 7 no
C9 C11 H4 144.3 7 7 7 no
C9 C11 H5 138.1 7 7 7 no
C9 C11 H5 167.3 7 7 7 no
C9 C11 H6 85.9 7 7 7 no
C9 C11 H6 102.9 7 7 7 no
C9 C11 H7 75.6 7 7 7 no
C9 C11 H7 21.1 7 7 7 no
C9 C11 H8 131.5 7 7 7 no
C9 C11 H8 85.0 7 7 7 no
C9 C11 H9 107.6 7 7 7 no
C10 C11 H2 118.1 . . . no
C10 C11 H2 118.1 . . . no
C10 C11 H3 102.5 . . . no
C10 C11 H3 102.5 . . . no
C10 C11 H4 156.4 . . . no
C10 C11 H5 165.4 . . . no
C10 C11 H5 165.4 . . . no
C10 C11 H6 94.5 . . . no
C10 C11 H6 94.5 . . . no
C10 C11 H7 48.4 . . . no
C10 C11 H7 48.4 . . . no
C10 C11 H8 109.1 . . . no
C10 C11 H8 109.1 . . . no
C10 C11 H9 109.5 . . . no
H2 C11 H2 108.7 3_646 3_646 3_646 no
H2 C11 H3 106.9 3_646 3_646 3_646 no
H2 C11 H3 22.3 3_646 3_646 3_646 no
H2 C11 H4 55.3 3_646 3_646 3_646 no
H2 C11 H5 75.4 3_646 3_646 3_646 no
H2 C11 H5 48.5 3_646 3_646 3_646 no
H2 C11 H6 123.3 3_646 3_646 3_646 no
H2 C11 H6 91.6 3_646 3_646 3_646 no
H2 C11 H7 72.8 3_646 3_646 3_646 no
H2 C11 H7 156.7 3_646 3_646 3_646 no
H2 C11 H8 11.1 3_646 3_646 3_646 no
H2 C11 H8 110.3 3_646 3_646 3_646 no
H2 C11 H9 99.6 3_646 3_646 3_646 no
H2 C11 H3 22.3 3_656 3_656 3_656 no
H2 C11 H3 106.9 3_656 3_656 3_656 no
H2 C11 H4 55.3 3_656 3_656 3_656 no
H2 C11 H5 48.5 3_656 3_656 3_656 no
H2 C11 H5 75.4 3_656 3_656 3_656 no
H2 C11 H6 91.6 3_656 3_656 3_656 no
H2 C11 H6 123.3 3_656 3_656 3_656 no
H2 C11 H7 156.7 3_656 3_656 3_656 no
H2 C11 H7 72.8 3_656 3_656 3_656 no
H2 C11 H8 110.3 3_656 3_656 3_656 no
H2 C11 H8 11.1 3_656 3_656 3_656 no
H2 C11 H9 99.6 3_656 3_656 3_656 no
H3 C11 H3 96.9 3_656 3_656 3_656 no
H3 C11 H4 63.3 3_656 3_656 3_656 no
H3 C11 H5 66.3 3_656 3_656 3_656 no
H3 C11 H5 88.6 3_656 3_656 3_656 no
H3 C11 H6 109.6 3_656 3_656 3_656 no
H3 C11 H6 144.6 3_656 3_656 3_656 no
H3 C11 H7 134.4 3_656 3_656 3_656 no
H3 C11 H7 65.3 3_656 3_656 3_656 no
H3 C11 H8 104.1 3_656 3_656 3_656 no
H3 C11 H8 11.5 3_656 3_656 3_656 no
H3 C11 H9 121.3 3_656 3_656 3_656 no
H3 C11 H4 63.3 5_656 5_656 5_656 no
H3 C11 H5 88.6 5_656 5_656 5_656 no
H3 C11 H5 66.3 5_656 5_656 5_656 no
H3 C11 H6 144.6 5_656 5_656 5_656 no
H3 C11 H6 109.6 5_656 5_656 5_656 no
H3 C11 H7 65.3 5_656 5_656 5_656 no
H3 C11 H7 134.4 5_656 5_656 5_656 no
H3 C11 H8 11.5 5_656 5_656 5_656 no
H3 C11 H8 104.1 5_656 5_656 5_656 no
H3 C11 H9 121.3 5_656 5_656 5_656 no
H4 C11 H5 27.2 2 2 2 no
H4 C11 H5 27.2 2 2 2 no
H4 C11 H6 107.8 2 2 2 no
H4 C11 H6 107.8 2 2 2 no
H4 C11 H7 127.4 2 2 2 no
H4 C11 H7 127.4 2 2 2 no
H4 C11 H8 60.7 2 2 2 no
H4 C11 H8 60.7 2 2 2 no
H4 C11 H9 94.1 2 2 2 no
H5 C11 H5 29.2 2 2 2 no
H5 C11 H6 81.3 2 2 2 no
H5 C11 H6 90.6 2 2 2 no
H5 C11 H7 146.2 2 2 2 no
H5 C11 H7 117.0 2 2 2 no
H5 C11 H8 83.5 2 2 2 no
H5 C11 H8 58.3 2 2 2 no
H5 C11 H9 71.5 2 2 2 no
H5 C11 H6 90.6 8 8 8 no
H5 C11 H6 81.3 8 8 8 no
H5 C11 H7 117.0 8 8 8 no
H5 C11 H7 146.2 8 8 8 no
H5 C11 H8 58.3 8 8 8 no
H5 C11 H8 83.5 8 8 8 no
H5 C11 H9 71.5 8 8 8 no
H6 C11 H6 37.4 3_655 3_655 3_655 no
H6 C11 H7 107.2 3_655 3_655 3_655 no
H6 C11 H7 79.5 3_655 3_655 3_655 no
H6 C11 H8 133.2 3_655 3_655 3_655 no
H6 C11 H8 99.2 3_655 3_655 3_655 no
H6 C11 H9 23.7 3_655 3_655 3_655 no
H6 C11 H7 79.5 5_655 5_655 5_655 no
H6 C11 H7 107.2 5_655 5_655 5_655 no
H6 C11 H8 99.2 5_655 5_655 5_655 no
H6 C11 H8 133.2 5_655 5_655 5_655 no
H6 C11 H9 23.7 5_655 5_655 5_655 no
H7 C11 H7 96.7 . . . no
H7 C11 H8 66.7 . . . no
H7 C11 H8 145.7 . . . no
H7 C11 H9 103.1 . . . no
H7 C11 H8 145.7 7 7 7 no
H7 C11 H8 66.7 7 7 7 no
H7 C11 H9 103.1 7 7 7 no
H8 C11 H8 109.6 . . . no
H8 C11 H9 109.8 . . . no
H8 C11 H9 109.8 7 7 7 no
O2 H1 O2 111.3 . . . no
O2 H1 O3 124.0 . . . no
O2 H1 O4 33.3 . . . no
O2 H1 O4 115.1 . . . no
O2 H1 O4 126.7 . . . no
O2 H1 N1 57.0 . . . no
O2 H1 N2 71.4 . . . no
O2 H1 N2 59.8 . . . no
O2 H1 N2 171.1 . . . no
O2 H1 N3 18.1 . . . no
O2 H1 N3 122.8 . . . no
O2 H1 N3 112.8 . . . no
O2 H1 C1 62.7 . . . no
O2 H1 C2 77.9 . . . no
O2 H1 C2 62.3 . . . no
O2 H1 C2 157.1 . . . no
O2 H1 C3 61.7 . . . no
O2 H1 C4 55.7 . . . no
O2 H1 C5 60.8 . . . no
O2 H1 C6 96.2 . . . no
O2 H1 C6 48.9 . . . no
O2 H1 C6 136.6 . . . no
O2 H1 H2 68.6 . . . no
O2 H1 H3 48.2 . . . no
O2 H1 H3 73.5 . . . no
O2 H1 H4 93.4 . . . no
O2 H1 H4 34.6 . . . no
O2 H1 H4 132.3 . . . no
O2 H1 H5 87.6 . . . no
O2 H1 H5 57.2 . . . no
O2 H1 H5 125.8 . . . no
O2 H1 H5 116.1 . . . no
O2 H1 H10 46.3 . . . no
O2 H1 H10 106.5 . . . no
O2 H1 H10 156.1 . . . no
O2 H1 O3 124.0 1_565 1_565 1_565 no
O2 H1 O4 126.7 1_565 1_565 1_565 no
O2 H1 O4 115.1 1_565 1_565 1_565 no
O2 H1 O4 33.3 1_565 1_565 1_565 no
O2 H1 N1 57.0 1_565 1_565 1_565 no
O2 H1 N2 71.4 1_565 1_565 1_565 no
O2 H1 N2 171.1 1_565 1_565 1_565 no
O2 H1 N2 59.8 1_565 1_565 1_565 no
O2 H1 N3 112.8 1_565 1_565 1_565 no
O2 H1 N3 122.8 1_565 1_565 1_565 no
O2 H1 N3 18.1 1_565 1_565 1_565 no
O2 H1 C1 62.7 1_565 1_565 1_565 no
O2 H1 C2 77.9 1_565 1_565 1_565 no
O2 H1 C2 157.1 1_565 1_565 1_565 no
O2 H1 C2 62.3 1_565 1_565 1_565 no
O2 H1 C3 61.7 1_565 1_565 1_565 no
O2 H1 C4 55.7 1_565 1_565 1_565 no
O2 H1 C5 60.8 1_565 1_565 1_565 no
O2 H1 C6 96.2 1_565 1_565 1_565 no
O2 H1 C6 136.6 1_565 1_565 1_565 no
O2 H1 C6 48.9 1_565 1_565 1_565 no
O2 H1 H2 68.6 1_565 1_565 1_565 no
O2 H1 H3 73.5 1_565 1_565 1_565 no
O2 H1 H3 48.2 1_565 1_565 1_565 no
O2 H1 H4 93.4 1_565 1_565 1_565 no
O2 H1 H4 132.3 1_565 1_565 1_565 no
O2 H1 H4 34.6 1_565 1_565 1_565 no
O2 H1 H5 116.1 1_565 1_565 1_565 no
O2 H1 H5 125.8 1_565 1_565 1_565 no
O2 H1 H5 57.2 1_565 1_565 1_565 no
O2 H1 H5 87.6 1_565 1_565 1_565 no
O2 H1 H10 156.1 1_565 1_565 1_565 no
O2 H1 H10 106.5 1_565 1_565 1_565 no
O2 H1 H10 46.3 1_565 1_565 1_565 no
O3 H1 O4 98.7 4 4 4 no
O3 H1 O4 48.7 4 4 4 no
O3 H1 O4 98.7 4 4 4 no
O3 H1 N1 157.4 4 4 4 no
O3 H1 N2 116.9 4 4 4 no
O3 H1 N2 64.8 4 4 4 no
O3 H1 N2 64.8 4 4 4 no
O3 H1 N3 117.0 4 4 4 no
O3 H1 N3 24.0 4 4 4 no
O3 H1 N3 117.0 4 4 4 no
O3 H1 C1 137.0 4 4 4 no
O3 H1 C2 104.2 4 4 4 no
O3 H1 C2 69.3 4 4 4 no
O3 H1 C2 69.3 4 4 4 no
O3 H1 C3 139.5 4 4 4 no
O3 H1 C4 170.6 4 4 4 no
O3 H1 C5 157.3 4 4 4 no
O3 H1 C6 71.4 4 4 4 no
O3 H1 C6 90.6 4 4 4 no
O3 H1 C6 90.6 4 4 4 no
O3 H1 H2 137.8 4 4 4 no
O3 H1 H3 154.1 4 4 4 no
O3 H1 H3 154.1 4 4 4 no
O3 H1 H4 76.4 4 4 4 no
O3 H1 H4 100.6 4 4 4 no
O3 H1 H4 100.6 4 4 4 no
O3 H1 H5 62.2 4 4 4 no
O3 H1 H5 93.3 4 4 4 no
O3 H1 H5 93.3 4 4 4 no
O3 H1 H5 62.2 4 4 4 no
O3 H1 H10 77.7 4 4 4 no
O3 H1 H10 67.4 4 4 4 no
O3 H1 H10 77.7 4 4 4 no
O4 H1 O4 117.0 . . . no
O4 H1 O4 120.5 . . . no
O4 H1 N1 71.3 . . . no
O4 H1 N2 60.7 . . . no
O4 H1 N2 46.5 . . . no
O4 H1 N2 151.5 . . . no
O4 H1 N3 18.7 . . . no
O4 H1 N3 109.3 . . . no
O4 H1 N3 117.4 . . . no
O4 H1 C1 64.4 . . . no
O4 H1 C2 60.3 . . . no
O4 H1 C2 61.4 . . . no
O4 H1 C2 167.8 . . . no
O4 H1 C3 65.1 . . . no
O4 H1 C4 76.9 . . . no
O4 H1 C5 92.5 . . . no
O4 H1 C6 66.4 . . . no
O4 H1 C6 61.9 . . . no
O4 H1 C6 169.7 . . . no
O4 H1 H2 101.9 . . . no
O4 H1 H3 80.7 . . . no
O4 H1 H3 104.0 . . . no
O4 H1 H4 64.9 . . . no
O4 H1 H4 50.6 . . . no
O4 H1 H4 159.9 . . . no
O4 H1 H5 54.7 . . . no
O4 H1 H5 75.1 . . . no
O4 H1 H5 158.1 . . . no
O4 H1 H5 85.9 . . . no
O4 H1 H10 30.9 . . . no
O4 H1 H10 119.6 . . . no
O4 H1 H10 146.1 . . . no
O4 H1 O4 117.0 4 4 4 no
O4 H1 N1 153.9 4 4 4 no
O4 H1 N2 165.7 4 4 4 no
O4 H1 N2 70.7 4 4 4 no
O4 H1 N2 70.7 4 4 4 no
O4 H1 N3 125.3 4 4 4 no
O4 H1 N3 24.7 4 4 4 no
O4 H1 N3 125.3 4 4 4 no
O4 H1 C1 174.3 4 4 4 no
O4 H1 C2 152.9 4 4 4 no
O4 H1 C2 57.0 4 4 4 no
O4 H1 C2 57.0 4 4 4 no
O4 H1 C3 171.8 4 4 4 no
O4 H1 C4 140.7 4 4 4 no
O4 H1 C5 108.6 4 4 4 no
O4 H1 C6 120.1 4 4 4 no
O4 H1 C6 66.2 4 4 4 no
O4 H1 C6 66.2 4 4 4 no
O4 H1 H2 89.1 4 4 4 no
O4 H1 H3 108.3 4 4 4 no
O4 H1 H3 108.3 4 4 4 no
O4 H1 H4 125.1 4 4 4 no
O4 H1 H4 80.5 4 4 4 no
O4 H1 H4 80.5 4 4 4 no
O4 H1 H5 108.6 4 4 4 no
O4 H1 H5 59.3 4 4 4 no
O4 H1 H5 59.3 4 4 4 no
O4 H1 H5 108.6 4 4 4 no
O4 H1 H10 86.1 4 4 4 no
O4 H1 H10 18.7 4 4 4 no
O4 H1 H10 86.1 4 4 4 no
O4 H1 N1 71.3 1_565 1_565 1_565 no
O4 H1 N2 60.7 1_565 1_565 1_565 no
O4 H1 N2 151.5 1_565 1_565 1_565 no
O4 H1 N2 46.5 1_565 1_565 1_565 no
O4 H1 N3 117.4 1_565 1_565 1_565 no
O4 H1 N3 109.3 1_565 1_565 1_565 no
O4 H1 N3 18.7 1_565 1_565 1_565 no
O4 H1 C1 64.4 1_565 1_565 1_565 no
O4 H1 C2 60.3 1_565 1_565 1_565 no
O4 H1 C2 167.8 1_565 1_565 1_565 no
O4 H1 C2 61.4 1_565 1_565 1_565 no
O4 H1 C3 65.1 1_565 1_565 1_565 no
O4 H1 C4 76.9 1_565 1_565 1_565 no
O4 H1 C5 92.5 1_565 1_565 1_565 no
O4 H1 C6 66.4 1_565 1_565 1_565 no
O4 H1 C6 169.7 1_565 1_565 1_565 no
O4 H1 C6 61.9 1_565 1_565 1_565 no
O4 H1 H2 101.9 1_565 1_565 1_565 no
O4 H1 H3 104.0 1_565 1_565 1_565 no
O4 H1 H3 80.7 1_565 1_565 1_565 no
O4 H1 H4 64.9 1_565 1_565 1_565 no
O4 H1 H4 159.9 1_565 1_565 1_565 no
O4 H1 H4 50.6 1_565 1_565 1_565 no
O4 H1 H5 85.9 1_565 1_565 1_565 no
O4 H1 H5 158.1 1_565 1_565 1_565 no
O4 H1 H5 75.1 1_565 1_565 1_565 no
O4 H1 H5 54.7 1_565 1_565 1_565 no
O4 H1 H10 146.1 1_565 1_565 1_565 no
O4 H1 H10 119.6 1_565 1_565 1_565 no
O4 H1 H10 30.9 1_565 1_565 1_565 no
N1 H1 N2 40.5 . . . no
N1 H1 N2 114.7 . . . no
N1 H1 N2 114.7 . . . no
N1 H1 N3 55.8 . . . no
N1 H1 N3 178.6 . . . no
N1 H1 N3 55.8 . . . no
N1 H1 C1 20.5 . . . no
N1 H1 C2 53.2 . . . no
N1 H1 C2 119.0 . . . no
N1 H1 C2 119.0 . . . no
N1 H1 C3 17.9 . . . no
N1 H1 C4 13.2 . . . no
N1 H1 C5 45.3 . . . no
N1 H1 C6 86.0 . . . no
N1 H1 C6 101.5 . . . no
N1 H1 C6 101.5 . . . no
N1 H1 H2 64.8 . . . no
N1 H1 H3 46.6 . . . no
N1 H1 H3 46.6 . . . no
N1 H1 H4 81.0 . . . no
N1 H1 H4 88.6 . . . no
N1 H1 H4 88.6 . . . no
N1 H1 H5 96.3 . . . no
N1 H1 H5 103.1 . . . no
N1 H1 H5 103.1 . . . no
N1 H1 H5 96.3 . . . no
N1 H1 H10 99.2 . . . no
N1 H1 H10 135.2 . . . no
N1 H1 H10 99.2 . . . no
N2 H1 N2 104.6 . . . no
N2 H1 N2 104.6 . . . no
N2 H1 N3 57.6 . . . no
N2 H1 N3 141.0 . . . no
N2 H1 N3 57.6 . . . no
N2 H1 C1 20.0 . . . no
N2 H1 C2 12.7 . . . no
N2 H1 C2 122.0 . . . no
N2 H1 C2 122.0 . . . no
N2 H1 C3 22.6 . . . no
N2 H1 C4 53.7 . . . no
N2 H1 C5 85.8 . . . no
N2 H1 C6 45.6 . . . no
N2 H1 C6 118.8 . . . no
N2 H1 C6 118.8 . . . no
N2 H1 H2 105.3 . . . no
N2 H1 H3 85.6 . . . no
N2 H1 H3 85.6 . . . no
N2 H1 H4 40.5 . . . no
N2 H1 H4 104.8 . . . no
N2 H1 H4 104.8 . . . no
N2 H1 H5 57.8 . . . no
N2 H1 H5 128.6 . . . no
N2 H1 H5 128.6 . . . no
N2 H1 H5 57.8 . . . no
N2 H1 H10 90.5 . . . no
N2 H1 H10 175.7 . . . no
N2 H1 H10 90.5 . . . no
N2 H1 N2 129.0 4 4 4 no
N2 H1 N3 59.1 4 4 4 no
N2 H1 N3 65.5 4 4 4 no
N2 H1 N3 161.6 4 4 4 no
N2 H1 C1 110.9 4 4 4 no
N2 H1 C2 99.7 4 4 4 no
N2 H1 C2 20.8 4 4 4 no
N2 H1 C2 125.4 4 4 4 no
N2 H1 C3 111.5 4 4 4 no
N2 H1 C4 115.5 4 4 4 no
N2 H1 C5 111.5 4 4 4 no
N2 H1 C6 85.8 4 4 4 no
N2 H1 C6 38.0 4 4 4 no
N2 H1 C6 136.4 4 4 4 no
N2 H1 H2 105.7 4 4 4 no
N2 H1 H3 98.5 4 4 4 no
N2 H1 H3 124.6 4 4 4 no
N2 H1 H4 88.0 4 4 4 no
N2 H1 H4 40.1 4 4 4 no
N2 H1 H4 150.6 4 4 4 no
N2 H1 H5 66.0 4 4 4 no
N2 H1 H5 50.2 4 4 4 no
N2 H1 H5 126.3 4 4 4 no
N2 H1 H5 96.9 4 4 4 no
N2 H1 H10 15.9 4 4 4 no
N2 H1 H10 77.0 4 4 4 no
N2 H1 H10 142.5 4 4 4 no
N2 H1 N3 161.6 4_565 4_565 4_565 no
N2 H1 N3 65.5 4_565 4_565 4_565 no
N2 H1 N3 59.1 4_565 4_565 4_565 no
N2 H1 C1 110.9 4_565 4_565 4_565 no
N2 H1 C2 99.7 4_565 4_565 4_565 no
N2 H1 C2 125.4 4_565 4_565 4_565 no
N2 H1 C2 20.8 4_565 4_565 4_565 no
N2 H1 C3 111.5 4_565 4_565 4_565 no
N2 H1 C4 115.5 4_565 4_565 4_565 no
N2 H1 C5 111.5 4_565 4_565 4_565 no
N2 H1 C6 85.8 4_565 4_565 4_565 no
N2 H1 C6 136.4 4_565 4_565 4_565 no
N2 H1 C6 38.0 4_565 4_565 4_565 no
N2 H1 H2 105.7 4_565 4_565 4_565 no
N2 H1 H3 124.6 4_565 4_565 4_565 no
N2 H1 H3 98.5 4_565 4_565 4_565 no
N2 H1 H4 88.0 4_565 4_565 4_565 no
N2 H1 H4 150.6 4_565 4_565 4_565 no
N2 H1 H4 40.1 4_565 4_565 4_565 no
N2 H1 H5 96.9 4_565 4_565 4_565 no
N2 H1 H5 126.3 4_565 4_565 4_565 no
N2 H1 H5 50.2 4_565 4_565 4_565 no
N2 H1 H5 66.0 4_565 4_565 4_565 no
N2 H1 H10 142.5 4_565 4_565 4_565 no
N2 H1 H10 77.0 4_565 4_565 4_565 no
N2 H1 H10 15.9 4_565 4_565 4_565 no
N3 H1 N3 124.5 . . . no
N3 H1 N3 108.2 . . . no
N3 H1 C1 54.2 . . . no
N3 H1 C2 61.9 . . . no
N3 H1 C2 68.6 . . . no
N3 H1 C2 173.5 . . . no
N3 H1 C3 54.1 . . . no
N3 H1 C4 59.4 . . . no
N3 H1 C5 74.0 . . . no
N3 H1 C6 78.1 . . . no
N3 H1 C6 61.2 . . . no
N3 H1 C6 151.2 . . . no
N3 H1 H2 85.0 . . . no
N3 H1 H3 62.7 . . . no
N3 H1 H3 85.2 . . . no
N3 H1 H4 75.3 . . . no
N3 H1 H4 47.4 . . . no
N3 H1 H4 142.3 . . . no
N3 H1 H5 70.5 . . . no
N3 H1 H5 72.0 . . . no
N3 H1 H5 142.8 . . . no
N3 H1 H5 98.0 . . . no
N3 H1 H10 43.4 . . . no
N3 H1 H10 121.1 . . . no
N3 H1 H10 148.0 . . . no
N3 H1 N3 124.5 4 4 4 no
N3 H1 C1 161.0 4 4 4 no
N3 H1 C2 128.3 4 4 4 no
N3 H1 C2 60.6 4 4 4 no
N3 H1 C2 60.6 4 4 4 no
N3 H1 C3 163.6 4 4 4 no
N3 H1 C4 165.4 4 4 4 no
N3 H1 C5 133.3 4 4 4 no
N3 H1 C6 95.4 4 4 4 no
N3 H1 C6 77.7 4 4 4 no
N3 H1 C6 77.7 4 4 4 no
N3 H1 H2 113.7 4 4 4 no
N3 H1 H3 132.1 4 4 4 no
N3 H1 H3 132.1 4 4 4 no
N3 H1 H4 100.5 4 4 4 no
N3 H1 H4 90.8 4 4 4 no
N3 H1 H4 90.8 4 4 4 no
N3 H1 H5 85.1 4 4 4 no
N3 H1 H5 75.8 4 4 4 no
N3 H1 H5 75.8 4 4 4 no
N3 H1 H5 85.1 4 4 4 no
N3 H1 H10 81.1 4 4 4 no
N3 H1 H10 43.3 4 4 4 no
N3 H1 H10 81.1 4 4 4 no
N3 H1 C1 54.2 1_565 1_565 1_565 no
N3 H1 C2 61.9 1_565 1_565 1_565 no
N3 H1 C2 173.5 1_565 1_565 1_565 no
N3 H1 C2 68.6 1_565 1_565 1_565 no
N3 H1 C3 54.1 1_565 1_565 1_565 no
N3 H1 C4 59.4 1_565 1_565 1_565 no
N3 H1 C5 74.0 1_565 1_565 1_565 no
N3 H1 C6 78.1 1_565 1_565 1_565 no
N3 H1 C6 151.2 1_565 1_565 1_565 no
N3 H1 C6 61.2 1_565 1_565 1_565 no
N3 H1 H2 85.0 1_565 1_565 1_565 no
N3 H1 H3 85.2 1_565 1_565 1_565 no
N3 H1 H3 62.7 1_565 1_565 1_565 no
N3 H1 H4 75.3 1_565 1_565 1_565 no
N3 H1 H4 142.3 1_565 1_565 1_565 no
N3 H1 H4 47.4 1_565 1_565 1_565 no
N3 H1 H5 98.0 1_565 1_565 1_565 no
N3 H1 H5 142.8 1_565 1_565 1_565 no
N3 H1 H5 72.0 1_565 1_565 1_565 no
N3 H1 H5 70.5 1_565 1_565 1_565 no
N3 H1 H10 148.0 1_565 1_565 1_565 no
N3 H1 H10 121.1 1_565 1_565 1_565 no
N3 H1 H10 43.4 1_565 1_565 1_565 no
C1 H1 C2 32.7 . . . no
C1 H1 C2 122.7 . . . no
C1 H1 C2 122.7 . . . no
C1 H1 C3 2.6 . . . no
C1 H1 C4 33.6 . . . no
C1 H1 C5 65.7 . . . no
C1 H1 C6 65.6 . . . no
C1 H1 C6 111.4 . . . no
C1 H1 C6 111.4 . . . no
C1 H1 H2 85.3 . . . no
C1 H1 H3 66.2 . . . no
C1 H1 H3 66.2 . . . no
C1 H1 H4 60.5 . . . no
C1 H1 H4 97.2 . . . no
C1 H1 H4 97.2 . . . no
C1 H1 H5 76.7 . . . no
C1 H1 H5 117.1 . . . no
C1 H1 H5 117.1 . . . no
C1 H1 H5 76.7 . . . no
C1 H1 H10 95.1 . . . no
C1 H1 H10 155.7 . . . no
C1 H1 H10 95.1 . . . no
C2 H1 C2 119.2 . . . no
C2 H1 C2 119.2 . . . no
C2 H1 C3 35.3 . . . no
C2 H1 C4 66.4 . . . no
C2 H1 C5 98.5 . . . no
C2 H1 C6 32.8 . . . no
C2 H1 C6 121.8 . . . no
C2 H1 C6 121.8 . . . no
C2 H1 H2 118.0 . . . no
C2 H1 H3 98.0 . . . no
C2 H1 H3 98.0 . . . no
C2 H1 H4 27.8 . . . no
C2 H1 H4 108.9 . . . no
C2 H1 H4 108.9 . . . no
C2 H1 H5 46.0 . . . no
C2 H1 H5 133.8 . . . no
C2 H1 H5 133.8 . . . no
C2 H1 H5 46.0 . . . no
C2 H1 H10 87.6 . . . no
C2 H1 H10 171.6 . . . no
C2 H1 H10 87.6 . . . no
C2 H1 C2 114.0 4 4 4 no
C2 H1 C3 122.5 4 4 4 no
C2 H1 C4 114.6 4 4 4 no
C2 H1 C5 99.6 4 4 4 no
C2 H1 C6 106.2 4 4 4 no
C2 H1 C6 22.3 4 4 4 no
C2 H1 C6 118.7 4 4 4 no
C2 H1 H2 89.0 4 4 4 no
C2 H1 H3 88.3 4 4 4 no
C2 H1 H3 111.0 4 4 4 no
C2 H1 H4 108.6 4 4 4 no
C2 H1 H4 31.5 4 4 4 no
C2 H1 H4 131.9 4 4 4 no
C2 H1 H5 86.3 4 4 4 no
C2 H1 H5 31.4 4 4 4 no
C2 H1 H5 106.9 4 4 4 no
C2 H1 H5 115.2 4 4 4 no
C2 H1 H10 31.8 4 4 4 no
C2 H1 H10 58.8 4 4 4 no
C2 H1 H10 141.3 4 4 4 no
C2 H1 C3 122.5 4_565 4_565 4_565 no
C2 H1 C4 114.6 4_565 4_565 4_565 no
C2 H1 C5 99.6 4_565 4_565 4_565 no
C2 H1 C6 106.2 4_565 4_565 4_565 no
C2 H1 C6 118.7 4_565 4_565 4_565 no
C2 H1 C6 22.3 4_565 4_565 4_565 no
C2 H1 H2 89.0 4_565 4_565 4_565 no
C2 H1 H3 111.0 4_565 4_565 4_565 no
C2 H1 H3 88.3 4_565 4_565 4_565 no
C2 H1 H4 108.6 4_565 4_565 4_565 no
C2 H1 H4 131.9 4_565 4_565 4_565 no
C2 H1 H4 31.5 4_565 4_565 4_565 no
C2 H1 H5 115.2 4_565 4_565 4_565 no
C2 H1 H5 106.9 4_565 4_565 4_565 no
C2 H1 H5 31.4 4_565 4_565 4_565 no
C2 H1 H5 86.3 4_565 4_565 4_565 no
C2 H1 H10 141.3 4_565 4_565 4_565 no
C2 H1 H10 58.8 4_565 4_565 4_565 no
C2 H1 H10 31.8 4_565 4_565 4_565 no
C3 H1 C4 31.1 . . . no
C3 H1 C5 63.2 . . . no
C3 H1 C6 68.1 . . . no
C3 H1 C6 110.3 . . . no
C3 H1 C6 110.3 . . . no
C3 H1 H2 82.7 . . . no
C3 H1 H3 63.7 . . . no
C3 H1 H3 63.7 . . . no
C3 H1 H4 63.1 . . . no
C3 H1 H4 96.1 . . . no
C3 H1 H4 96.1 . . . no
C3 H1 H5 79.2 . . . no
C3 H1 H5 115.4 . . . no
C3 H1 H5 115.4 . . . no
C3 H1 H5 79.2 . . . no
C3 H1 H10 95.7 . . . no
C3 H1 H10 153.1 . . . no
C3 H1 H10 95.7 . . . no
C4 H1 C5 32.1 . . . no
C4 H1 C6 99.2 . . . no
C4 H1 C6 94.5 . . . no
C4 H1 C6 94.5 . . . no
C4 H1 H2 51.6 . . . no
C4 H1 H3 34.3 . . . no
C4 H1 H3 34.3 . . . no
C4 H1 H4 94.2 . . . no
C4 H1 H4 83.1 . . . no
C4 H1 H4 83.1 . . . no
C4 H1 H5 108.9 . . . no
C4 H1 H5 93.6 . . . no
C4 H1 H5 93.6 . . . no
C4 H1 H5 108.9 . . . no
C4 H1 H10 101.2 . . . no
C4 H1 H10 122.0 . . . no
C4 H1 H10 101.2 . . . no
C5 H1 C6 131.3 . . . no
C5 H1 C6 77.3 . . . no
C5 H1 C6 77.3 . . . no
C5 H1 H2 19.5 . . . no
C5 H1 H3 13.4 . . . no
C5 H1 H3 13.4 . . . no
C5 H1 H4 126.3 . . . no
C5 H1 H4 71.5 . . . no
C5 H1 H4 71.5 . . . no
C5 H1 H5 138.8 . . . no
C5 H1 H5 70.5 . . . no
C5 H1 H5 70.5 . . . no
C5 H1 H5 138.8 . . . no
C5 H1 H10 103.6 . . . no
C5 H1 H10 89.9 . . . no
C5 H1 H10 103.6 . . . no
C6 H1 C6 121.4 . . . no
C6 H1 C6 121.4 . . . no
C6 H1 H2 150.9 . . . no
C6 H1 H3 129.7 . . . no
C6 H1 H3 129.7 . . . no
C6 H1 H4 5.0 . . . no
C6 H1 H4 114.8 . . . no
C6 H1 H4 114.8 . . . no
C6 H1 H5 19.9 . . . no
C6 H1 H5 135.2 . . . no
C6 H1 H5 135.2 . . . no
C6 H1 H5 19.9 . . . no
C6 H1 H10 80.8 . . . no
C6 H1 H10 138.8 . . . no
C6 H1 H10 80.8 . . . no
C6 H1 C6 113.8 4 4 4 no
C6 H1 H2 68.0 4 4 4 no
C6 H1 H3 66.0 4 4 4 no
C6 H1 H3 89.0 4 4 4 no
C6 H1 H4 122.2 4 4 4 no
C6 H1 H4 14.3 4 4 4 no
C6 H1 H4 123.3 4 4 4 no
C6 H1 H5 102.5 4 4 4 no
C6 H1 H5 14.1 4 4 4 no
C6 H1 H5 100.0 4 4 4 no
C6 H1 H5 134.9 4 4 4 no
C6 H1 H10 40.6 4 4 4 no
C6 H1 H10 60.0 4 4 4 no
C6 H1 H10 150.5 4 4 4 no
C6 H1 H2 68.0 4_565 4_565 4_565 no
C6 H1 H3 89.0 4_565 4_565 4_565 no
C6 H1 H3 66.0 4_565 4_565 4_565 no
C6 H1 H4 122.2 4_565 4_565 4_565 no
C6 H1 H4 123.3 4_565 4_565 4_565 no
C6 H1 H4 14.3 4_565 4_565 4_565 no
C6 H1 H5 134.9 4_565 4_565 4_565 no
C6 H1 H5 100.0 4_565 4_565 4_565 no
C6 H1 H5 14.1 4_565 4_565 4_565 no
C6 H1 H5 102.5 4_565 4_565 4_565 no
C6 H1 H10 150.5 4_565 4_565 4_565 no
C6 H1 H10 60.0 4_565 4_565 4_565 no
C6 H1 H10 40.6 4_565 4_565 4_565 no
H2 H1 H3 23.8 . . . no
H2 H1 H3 23.8 . . . no
H2 H1 H4 145.8 . . . no
H2 H1 H4 66.9 . . . no
H2 H1 H4 66.9 . . . no
H2 H1 H5 155.0 . . . no
H2 H1 H5 57.8 . . . no
H2 H1 H5 57.8 . . . no
H2 H1 H5 155.0 . . . no
H2 H1 H10 102.9 . . . no
H2 H1 H10 70.4 . . . no
H2 H1 H10 102.9 . . . no
H3 H1 H3 26.8 . . . no
H3 H1 H4 124.9 . . . no
H3 H1 H4 58.8 . . . no
H3 H1 H4 84.4 . . . no
H3 H1 H5 131.4 . . . no
H3 H1 H5 61.3 . . . no
H3 H1 H5 80.6 . . . no
H3 H1 H5 142.8 . . . no
H3 H1 H10 90.1 . . . no
H3 H1 H10 90.2 . . . no
H3 H1 H10 117.0 . . . no
H3 H1 H4 124.9 7 7 7 no
H3 H1 H4 84.4 7 7 7 no
H3 H1 H4 58.8 7 7 7 no
H3 H1 H5 142.8 7 7 7 no
H3 H1 H5 80.6 7 7 7 no
H3 H1 H5 61.3 7 7 7 no
H3 H1 H5 131.4 7 7 7 no
H3 H1 H10 117.0 7 7 7 no
H3 H1 H10 90.2 7 7 7 no
H3 H1 H10 90.1 7 7 7 no
H4 H1 H4 114.4 . . . no
H4 H1 H4 114.4 . . . no
H4 H1 H5 22.9 . . . no
H4 H1 H5 136.2 . . . no
H4 H1 H5 136.2 . . . no
H4 H1 H5 22.9 . . . no
H4 H1 H10 81.7 . . . no
H4 H1 H10 143.8 . . . no
H4 H1 H10 81.7 . . . no
H4 H1 H4 129.9 4 4 4 no
H4 H1 H5 98.0 4 4 4 no
H4 H1 H5 25.0 4 4 4 no
H4 H1 H5 109.2 4 4 4 no
H4 H1 H5 132.0 4 4 4 no
H4 H1 H10 36.5 4 4 4 no
H4 H1 H10 73.7 4 4 4 no
H4 H1 H10 163.2 4 4 4 no
H4 H1 H5 132.0 4_565 4_565 4_565 no
H4 H1 H5 109.2 4_565 4_565 4_565 no
H4 H1 H5 25.0 4_565 4_565 4_565 no
H4 H1 H5 98.0 4_565 4_565 4_565 no
H4 H1 H10 163.2 4_565 4_565 4_565 no
H4 H1 H10 73.7 4_565 4_565 4_565 no
H4 H1 H10 36.5 4_565 4_565 4_565 no
H5 H1 H5 115.9 . . . no
H5 H1 H5 146.6 . . . no
H5 H1 H5 33.9 . . . no
H5 H1 H10 62.3 . . . no
H5 H1 H10 126.3 . . . no
H5 H1 H10 95.9 . . . no
H5 H1 H5 86.0 4 4 4 no
H5 H1 H5 146.6 4 4 4 no
H5 H1 H10 54.6 4 4 4 no
H5 H1 H10 49.4 4 4 4 no
H5 H1 H10 138.3 4 4 4 no
H5 H1 H5 115.9 6 6 6 no
H5 H1 H10 138.3 6 6 6 no
H5 H1 H10 49.4 6 6 6 no
H5 H1 H10 54.6 6 6 6 no
H5 H1 H10 95.9 7 7 7 no
H5 H1 H10 126.3 7 7 7 no
H5 H1 H10 62.3 7 7 7 no
H10 H1 H10 90.5 4 4 4 no
H10 H1 H10 152.9 4 4 4 no
H10 H1 H10 90.5 1_556 1_556 1_556 no
O1 H2 O2 120.9 1_556 1_556 1_556 no
O1 H2 O2 120.9 1_556 1_556 1_556 no
O1 H2 O4 68.7 1_556 1_556 1_556 no
O1 H2 N1 172.2 1_556 1_556 1_556 no
O1 H2 C1 8.9 1_556 1_556 1_556 no
O1 H2 C2 143.4 1_556 1_556 1_556 no
O1 H2 C3 141.1 1_556 1_556 1_556 no
O1 H2 C4 174.1 1_556 1_556 1_556 no
O1 H2 C5 142.2 1_556 1_556 1_556 no
O1 H2 C6 74.3 1_556 1_556 1_556 no
O1 H2 C6 74.3 1_556 1_556 1_556 no
O1 H2 C7 150.0 1_556 1_556 1_556 no
O1 H2 C11 71.2 1_556 1_556 1_556 no
O1 H2 C11 71.2 1_556 1_556 1_556 no
O1 H2 H1 114.4 1_556 1_556 1_556 no
O1 H2 H3 117.6 1_556 1_556 1_556 no
O1 H2 H3 117.6 1_556 1_556 1_556 no
O1 H2 H4 88.3 1_556 1_556 1_556 no
O1 H2 H4 88.3 1_556 1_556 1_556 no
O1 H2 H5 62.5 1_556 1_556 1_556 no
O1 H2 H5 62.5 1_556 1_556 1_556 no
O1 H2 H8 73.9 1_556 1_556 1_556 no
O1 H2 H8 73.9 1_556 1_556 1_556 no
O1 H2 H10 39.7 1_556 1_556 1_556 no
O2 H2 O2 117.9 . . . no
O2 H2 O4 98.0 . . . no
O2 H2 N1 59.9 . . . no
O2 H2 C1 120.0 . . . no
O2 H2 C2 63.8 . . . no
O2 H2 C3 64.5 . . . no
O2 H2 C4 58.9 . . . no
O2 H2 C5 68.0 . . . no
O2 H2 C6 51.0 . . . no
O2 H2 C6 150.1 . . . no
O2 H2 C7 65.2 . . . no
O2 H2 C11 59.6 . . . no
O2 H2 C11 152.4 . . . no
O2 H2 H1 75.1 . . . no
O2 H2 H3 50.5 . . . no
O2 H2 H3 103.5 . . . no
O2 H2 H4 36.0 . . . no
O2 H2 H4 143.7 . . . no
O2 H2 H5 62.4 . . . no
O2 H2 H5 153.9 . . . no
O2 H2 H8 149.1 . . . no
O2 H2 H8 58.6 . . . no
O2 H2 H10 111.3 . . . no
O2 H2 O4 98.0 1_565 1_565 1_565 no
O2 H2 N1 59.9 1_565 1_565 1_565 no
O2 H2 C1 120.0 1_565 1_565 1_565 no
O2 H2 C2 63.8 1_565 1_565 1_565 no
O2 H2 C3 64.5 1_565 1_565 1_565 no
O2 H2 C4 58.9 1_565 1_565 1_565 no
O2 H2 C5 68.0 1_565 1_565 1_565 no
O2 H2 C6 150.1 1_565 1_565 1_565 no
O2 H2 C6 51.0 1_565 1_565 1_565 no
O2 H2 C7 65.2 1_565 1_565 1_565 no
O2 H2 C11 152.4 1_565 1_565 1_565 no
O2 H2 C11 59.6 1_565 1_565 1_565 no
O2 H2 H1 75.1 1_565 1_565 1_565 no
O2 H2 H3 103.5 1_565 1_565 1_565 no
O2 H2 H3 50.5 1_565 1_565 1_565 no
O2 H2 H4 143.7 1_565 1_565 1_565 no
O2 H2 H4 36.0 1_565 1_565 1_565 no
O2 H2 H5 153.9 1_565 1_565 1_565 no
O2 H2 H5 62.4 1_565 1_565 1_565 no
O2 H2 H8 58.6 1_565 1_565 1_565 no
O2 H2 H8 149.1 1_565 1_565 1_565 no
O2 H2 H10 111.3 1_565 1_565 1_565 no
O4 H2 N1 119.1 4 4 4 no
O4 H2 C1 59.8 4 4 4 no
O4 H2 C2 74.7 4 4 4 no
O4 H2 C3 72.4 4 4 4 no
O4 H2 C4 105.4 4 4 4 no
O4 H2 C5 149.1 4 4 4 no
O4 H2 C6 61.6 4 4 4 no
O4 H2 C6 61.6 4 4 4 no
O4 H2 C7 141.3 4 4 4 no
O4 H2 C11 109.6 4 4 4 no
O4 H2 C11 109.6 4 4 4 no
O4 H2 H1 45.7 4 4 4 no
O4 H2 H3 147.7 4 4 4 no
O4 H2 H3 147.7 4 4 4 no
O4 H2 H4 71.3 4 4 4 no
O4 H2 H4 71.3 4 4 4 no
O4 H2 H5 57.6 4 4 4 no
O4 H2 H5 57.6 4 4 4 no
O4 H2 H8 112.9 4 4 4 no
O4 H2 H8 112.9 4 4 4 no
O4 H2 H10 29.0 4 4 4 no
N1 H2 C1 178.9 . . . no
N1 H2 C2 44.4 . . . no
N1 H2 C3 46.7 . . . no
N1 H2 C4 13.7 . . . no
N1 H2 C5 30.0 . . . no
N1 H2 C6 108.9 . . . no
N1 H2 C6 108.9 . . . no
N1 H2 C7 22.1 . . . no
N1 H2 C11 104.7 . . . no
N1 H2 C11 104.7 . . . no
N1 H2 H1 73.5 . . . no
N1 H2 H3 56.1 . . . no
N1 H2 H3 56.1 . . . no
N1 H2 H4 94.3 . . . no
N1 H2 H4 94.3 . . . no
N1 H2 H5 120.8 . . . no
N1 H2 H5 120.8 . . . no
N1 H2 H8 101.7 . . . no
N1 H2 H8 101.7 . . . no
N1 H2 H10 148.2 . . . no
C1 H2 C2 134.5 1_556 1_556 1_556 no
C1 H2 C3 132.2 1_556 1_556 1_556 no
C1 H2 C4 165.2 1_556 1_556 1_556 no
C1 H2 C5 151.1 1_556 1_556 1_556 no
C1 H2 C6 70.7 1_556 1_556 1_556 no
C1 H2 C6 70.7 1_556 1_556 1_556 no
C1 H2 C7 158.9 1_556 1_556 1_556 no
C1 H2 C11 75.9 1_556 1_556 1_556 no
C1 H2 C11 75.9 1_556 1_556 1_556 no
C1 H2 H1 105.5 1_556 1_556 1_556 no
C1 H2 H3 124.8 1_556 1_556 1_556 no
C1 H2 H3 124.8 1_556 1_556 1_556 no
C1 H2 H4 85.4 1_556 1_556 1_556 no
C1 H2 H4 85.4 1_556 1_556 1_556 no
C1 H2 H5 58.8 1_556 1_556 1_556 no
C1 H2 H5 58.8 1_556 1_556 1_556 no
C1 H2 H8 78.9 1_556 1_556 1_556 no
C1 H2 H8 78.9 1_556 1_556 1_556 no
C1 H2 H10 30.8 1_556 1_556 1_556 no
C2 H2 C3 2.3 . . . no
C2 H2 C4 30.7 . . . no
C2 H2 C5 74.4 . . . no
C2 H2 C6 88.6 . . . no
C2 H2 C6 88.6 . . . no
C2 H2 C7 66.6 . . . no
C2 H2 C11 123.3 . . . no
C2 H2 C11 123.3 . . . no
C2 H2 H1 29.0 . . . no
C2 H2 H3 93.5 . . . no
C2 H2 H3 93.5 . . . no
C2 H2 H4 80.0 . . . no
C2 H2 H4 80.0 . . . no
C2 H2 H5 97.8 . . . no
C2 H2 H5 97.8 . . . no
C2 H2 H8 122.4 . . . no
C2 H2 H8 122.4 . . . no
C2 H2 H10 103.7 . . . no
C3 H2 C4 33.0 . . . no
C3 H2 C5 76.7 . . . no
C3 H2 C6 87.5 . . . no
C3 H2 C6 87.5 . . . no
C3 H2 C7 68.9 . . . no
C3 H2 C11 123.8 . . . no
C3 H2 C11 123.8 . . . no
C3 H2 H1 26.7 . . . no
C3 H2 H3 95.5 . . . no
C3 H2 H3 95.5 . . . no
C3 H2 H4 79.3 . . . no
C3 H2 H4 79.3 . . . no
C3 H2 H5 96.4 . . . no
C3 H2 H5 96.4 . . . no
C3 H2 H8 123.1 . . . no
C3 H2 H8 123.1 . . . no
C3 H2 H10 101.4 . . . no
C4 H2 C5 43.7 . . . no
C4 H2 C6 103.2 . . . no
C4 H2 C6 103.2 . . . no
C4 H2 C7 35.8 . . . no
C4 H2 C11 111.7 . . . no
C4 H2 C11 111.7 . . . no
C4 H2 H1 59.8 . . . no
C4 H2 H3 67.2 . . . no
C4 H2 H3 67.2 . . . no
C4 H2 H4 89.8 . . . no
C4 H2 H4 89.8 . . . no
C4 H2 H5 114.8 . . . no
C4 H2 H5 114.8 . . . no
C4 H2 H8 109.2 . . . no
C4 H2 H8 109.2 . . . no
C4 H2 H10 134.5 . . . no
C5 H2 C6 117.5 . . . no
C5 H2 C6 117.5 . . . no
C5 H2 C7 7.8 . . . no
C5 H2 C11 87.5 . . . no
C5 H2 C11 87.5 . . . no
C5 H2 H1 103.4 . . . no
C5 H2 H3 35.8 . . . no
C5 H2 H3 35.8 . . . no
C5 H2 H4 103.2 . . . no
C5 H2 H4 103.2 . . . no
C5 H2 H5 127.4 . . . no
C5 H2 H5 127.4 . . . no
C5 H2 H8 84.1 . . . no
C5 H2 H8 84.1 . . . no
C5 H2 H10 178.1 . . . no
C6 H2 C6 121.7 4 4 4 no
C6 H2 C7 115.9 4 4 4 no
C6 H2 C11 53.1 4 4 4 no
C6 H2 C11 145.0 4 4 4 no
C6 H2 H1 75.1 4 4 4 no
C6 H2 H3 88.6 4 4 4 no
C6 H2 H3 149.6 4 4 4 no
C6 H2 H4 15.0 4 4 4 no
C6 H2 H4 132.9 4 4 4 no
C6 H2 H5 11.9 4 4 4 no
C6 H2 H5 114.1 4 4 4 no
C6 H2 H8 147.2 4 4 4 no
C6 H2 H8 55.6 4 4 4 no
C6 H2 H10 62.2 4 4 4 no
C6 H2 C7 115.9 4_565 4_565 4_565 no
C6 H2 C11 145.0 4_565 4_565 4_565 no
C6 H2 C11 53.1 4_565 4_565 4_565 no
C6 H2 H1 75.1 4_565 4_565 4_565 no
C6 H2 H3 149.6 4_565 4_565 4_565 no
C6 H2 H3 88.6 4_565 4_565 4_565 no
C6 H2 H4 132.9 4_565 4_565 4_565 no
C6 H2 H4 15.0 4_565 4_565 4_565 no
C6 H2 H5 114.1 4_565 4_565 4_565 no
C6 H2 H5 11.9 4_565 4_565 4_565 no
C6 H2 H8 55.6 4_565 4_565 4_565 no
C6 H2 H8 147.2 4_565 4_565 4_565 no
C6 H2 H10 62.2 4_565 4_565 4_565 no
C7 H2 C11 92.1 . . . no
C7 H2 C11 92.1 . . . no
C7 H2 H1 95.6 . . . no
C7 H2 H3 40.2 . . . no
C7 H2 H3 40.2 . . . no
C7 H2 H4 101.1 . . . no
C7 H2 H4 101.1 . . . no
C7 H2 H5 126.7 . . . no
C7 H2 H5 126.7 . . . no
C7 H2 H8 88.7 . . . no
C7 H2 H8 88.7 . . . no
C7 H2 H10 170.3 . . . no
C11 H2 C11 108.7 3_646 3_646 3_646 no
C11 H2 H1 125.1 3_646 3_646 3_646 no
C11 H2 H3 52.0 3_646 3_646 3_646 no
C11 H2 H3 102.1 3_646 3_646 3_646 no
C11 H2 H4 52.1 3_646 3_646 3_646 no
C11 H2 H4 156.6 3_646 3_646 3_646 no
C11 H2 H5 52.9 3_646 3_646 3_646 no
C11 H2 H5 133.4 3_646 3_646 3_646 no
C11 H2 H8 108.0 3_646 3_646 3_646 no
C11 H2 H8 3.5 3_646 3_646 3_646 no
C11 H2 H10 93.5 3_646 3_646 3_646 no
C11 H2 H1 125.1 3_656 3_656 3_656 no
C11 H2 H3 102.1 3_656 3_656 3_656 no
C11 H2 H3 52.0 3_656 3_656 3_656 no
C11 H2 H4 156.6 3_656 3_656 3_656 no
C11 H2 H4 52.1 3_656 3_656 3_656 no
C11 H2 H5 133.4 3_656 3_656 3_656 no
C11 H2 H5 52.9 3_656 3_656 3_656 no
C11 H2 H8 3.5 3_656 3_656 3_656 no
C11 H2 H8 108.0 3_656 3_656 3_656 no
C11 H2 H10 93.5 3_656 3_656 3_656 no
H1 H2 H3 118.1 . . . no
H1 H2 H3 118.1 . . . no
H1 H2 H4 73.1 . . . no
H1 H2 H4 73.1 . . . no
H1 H2 H5 80.3 . . . no
H1 H2 H5 80.3 . . . no
H1 H2 H8 126.4 . . . no
H1 H2 H8 126.4 . . . no
H1 H2 H10 74.7 . . . no
H3 H2 H3 61.0 . . . no
H3 H2 H4 77.1 . . . no
H3 H2 H4 137.2 . . . no
H3 H2 H5 95.6 . . . no
H3 H2 H5 154.7 . . . no
H3 H2 H8 98.9 . . . no
H3 H2 H8 48.6 . . . no
H3 H2 H10 145.1 . . . no
H3 H2 H4 137.2 7 7 7 no
H3 H2 H4 77.1 7 7 7 no
H3 H2 H5 154.7 7 7 7 no
H3 H2 H5 95.6 7 7 7 no
H3 H2 H8 48.6 7 7 7 no
H3 H2 H8 98.9 7 7 7 no
H3 H2 H10 145.1 7 7 7 no
H4 H2 H4 141.0 4 4 4 no
H4 H2 H5 26.7 4 4 4 no
H4 H2 H5 127.1 4 4 4 no
H4 H2 H8 157.7 4 4 4 no
H4 H2 H8 53.7 4 4 4 no
H4 H2 H10 76.4 4 4 4 no
H4 H2 H5 127.1 4_565 4_565 4_565 no
H4 H2 H5 26.7 4_565 4_565 4_565 no
H4 H2 H8 53.7 4_565 4_565 4_565 no
H4 H2 H8 157.7 4_565 4_565 4_565 no
H4 H2 H10 76.4 4_565 4_565 4_565 no
H5 H2 H5 105.2 4 4 4 no
H5 H2 H8 135.9 4 4 4 no
H5 H2 H8 56.0 4 4 4 no
H5 H2 H10 52.6 4 4 4 no
H5 H2 H8 56.0 6 6 6 no
H5 H2 H8 135.9 6 6 6 no
H5 H2 H10 52.6 6 6 6 no
H8 H2 H8 107.1 3_656 3_656 3_656 no
H8 H2 H10 97.0 3_656 3_656 3_656 no
H8 H2 H10 97.0 5_656 5_656 5_656 no
O1 H3 O2 114.1 1_556 1_556 1_556 no
O1 H3 N1 135.1 1_556 1_556 1_556 no
O1 H3 N3 120.1 1_556 1_556 1_556 no
O1 H3 C3 92.2 1_556 1_556 1_556 no
O1 H3 C4 107.0 1_556 1_556 1_556 no
O1 H3 C5 70.8 1_556 1_556 1_556 no
O1 H3 C6 61.7 1_556 1_556 1_556 no
O1 H3 C7 150.9 1_556 1_556 1_556 no
O1 H3 C8 168.5 1_556 1_556 1_556 no
O1 H3 C8 133.0 1_556 1_556 1_556 no
O1 H3 C9 151.6 1_556 1_556 1_556 no
O1 H3 C9 82.2 1_556 1_556 1_556 no
O1 H3 C10 82.1 1_556 1_556 1_556 no
O1 H3 C11 70.7 1_556 1_556 1_556 no
O1 H3 H1 73.6 1_556 1_556 1_556 no
O1 H3 H2 39.9 1_556 1_556 1_556 no
O1 H3 H3 77.4 1_556 1_556 1_556 no
O1 H3 H4 74.0 1_556 1_556 1_556 no
O1 H3 H5 48.7 1_556 1_556 1_556 no
O1 H3 H6 168.7 1_556 1_556 1_556 no
O1 H3 H6 121.9 1_556 1_556 1_556 no
O1 H3 H7 68.2 1_556 1_556 1_556 no
O1 H3 H7 74.4 1_556 1_556 1_556 no
O1 H3 H8 80.5 1_556 1_556 1_556 no
O1 H3 H8 56.3 1_556 1_556 1_556 no
O1 H3 H8 66.0 1_556 1_556 1_556 no
O1 H3 H9 58.4 1_556 1_556 1_556 no
O2 H3 N1 75.8 . . . no
O2 H3 N3 15.1 . . . no
O2 H3 C3 70.2 . . . no
O2 H3 C4 76.8 . . . no
O2 H3 C5 113.5 . . . no
O2 H3 C6 52.5 . . . no
O2 H3 C7 88.8 . . . no
O2 H3 C8 76.3 . . . no
O2 H3 C8 109.1 . . . no
O2 H3 C9 88.1 . . . no
O2 H3 C9 106.3 . . . no
O2 H3 C10 87.5 . . . no
O2 H3 C11 75.6 . . . no
O2 H3 H1 74.4 . . . no
O2 H3 H2 106.0 . . . no
O2 H3 H3 143.6 . . . no
O2 H3 H4 40.1 . . . no
O2 H3 H5 65.5 . . . no
O2 H3 H6 58.4 . . . no
O2 H3 H6 114.8 . . . no
O2 H3 H7 158.2 . . . no
O2 H3 H7 118.5 . . . no
O2 H3 H8 60.7 . . . no
O2 H3 H8 161.3 . . . no
O2 H3 H8 77.6 . . . no
O2 H3 H9 81.6 . . . no
N1 H3 N3 61.3 . . . no
N1 H3 C3 48.1 . . . no
N1 H3 C4 29.6 . . . no
N1 H3 C5 65.6 . . . no
N1 H3 C6 114.2 . . . no
N1 H3 C7 30.7 . . . no
N1 H3 C8 50.2 . . . no
N1 H3 C8 43.0 . . . no
N1 H3 C9 65.2 . . . no
N1 H3 C9 139.4 . . . no
N1 H3 C10 142.7 . . . no
N1 H3 C11 148.1 . . . no
N1 H3 H1 67.3 . . . no
N1 H3 H2 95.4 . . . no
N1 H3 H3 73.0 . . . no
N1 H3 H4 105.1 . . . no
N1 H3 H5 121.2 . . . no
N1 H3 H6 54.0 . . . no
N1 H3 H6 41.5 . . . no
N1 H3 H7 118.9 . . . no
N1 H3 H7 141.9 . . . no
N1 H3 H8 133.8 . . . no
N1 H3 H8 99.8 . . . no
N1 H3 H8 151.7 . . . no
N1 H3 H9 157.1 . . . no
N3 H3 C3 57.8 . . . no
N3 H3 C4 62.1 . . . no
N3 H3 C5 101.4 . . . no
N3 H3 C6 61.1 . . . no
N3 H3 C7 78.2 . . . no
N3 H3 C8 71.2 . . . no
N3 H3 C8 98.0 . . . no
N3 H3 C9 86.0 . . . no
N3 H3 C9 119.8 . . . no
N3 H3 C10 102.0 . . . no
N3 H3 C11 90.7 . . . no
N3 H3 H1 65.8 . . . no
N3 H3 H2 101.6 . . . no
N3 H3 H3 128.8 . . . no
N3 H3 H4 49.0 . . . no
N3 H3 H5 73.2 . . . no
N3 H3 H6 55.1 . . . no
N3 H3 H6 101.7 . . . no
N3 H3 H7 169.0 . . . no
N3 H3 H7 132.4 . . . no
N3 H3 H8 75.9 . . . no
N3 H3 H8 151.0 . . . no
N3 H3 H8 92.6 . . . no
N3 H3 H9 96.3 . . . no
C3 H3 C4 20.0 . . . no
C3 H3 C5 43.6 . . . no
C3 H3 C6 75.4 . . . no
C3 H3 C7 78.5 . . . no
C3 H3 C8 96.2 . . . no
C3 H3 C8 85.6 . . . no
C3 H3 C9 112.7 . . . no
C3 H3 C9 171.6 . . . no
C3 H3 C10 152.5 . . . no
C3 H3 C11 130.8 . . . no
C3 H3 H1 19.4 . . . no
C3 H3 H2 54.3 . . . no
C3 H3 H3 75.1 . . . no
C3 H3 H4 72.3 . . . no
C3 H3 H5 77.2 . . . no
C3 H3 H6 92.7 . . . no
C3 H3 H6 77.0 . . . no
C3 H3 H7 131.5 . . . no
C3 H3 H7 166.0 . . . no
C3 H3 H8 121.0 . . . no
C3 H3 H8 93.1 . . . no
C3 H3 H8 128.8 . . . no
C3 H3 H9 125.8 . . . no
C4 H3 C5 43.8 . . . no
C4 H3 C6 94.4 . . . no
C4 H3 C7 59.2 . . . no
C4 H3 C8 79.5 . . . no
C4 H3 C8 65.7 . . . no
C4 H3 C9 94.8 . . . no
C4 H3 C9 168.3 . . . no
C4 H3 C10 164.0 . . . no
C4 H3 C11 148.0 . . . no
C4 H3 H1 38.3 . . . no
C4 H3 H2 67.2 . . . no
C4 H3 H3 66.8 . . . no
C4 H3 H4 89.5 . . . no
C4 H3 H5 97.1 . . . no
C4 H3 H6 80.3 . . . no
C4 H3 H6 57.9 . . . no
C4 H3 H7 124.2 . . . no
C4 H3 H7 163.1 . . . no
C4 H3 H8 135.3 . . . no
C4 H3 H8 90.4 . . . no
C4 H3 H8 147.1 . . . no
C4 H3 H9 145.3 . . . no
C5 H3 C6 98.0 . . . no
C5 H3 C7 84.0 . . . no
C5 H3 C8 110.5 . . . no
C5 H3 C8 75.9 . . . no
C5 H3 C9 117.9 . . . no
C5 H3 C9 138.3 . . . no
C5 H3 C10 150.6 . . . no
C5 H3 C11 140.6 . . . no
C5 H3 H1 41.8 . . . no
C5 H3 H2 35.3 . . . no
C5 H3 H3 34.8 . . . no
C5 H3 H4 102.3 . . . no
C5 H3 H5 91.1 . . . no
C5 H3 H6 119.3 . . . no
C5 H3 H6 62.4 . . . no
C5 H3 H7 88.0 . . . no
C5 H3 H7 125.5 . . . no
C5 H3 H8 145.0 . . . no
C5 H3 H8 49.6 . . . no
C5 H3 H8 135.9 . . . no
C5 H3 H9 128.4 . . . no
C6 H3 C7 138.9 4 4 4 no
C6 H3 C8 128.1 4 4 4 no
C6 H3 C8 157.1 4 4 4 no
C6 H3 C9 135.9 4 4 4 no
C6 H3 C9 96.3 4 4 4 no
C6 H3 C10 78.2 4 4 4 no
C6 H3 C11 55.7 4 4 4 no
C6 H3 H1 62.2 4 4 4 no
C6 H3 H2 68.2 4 4 4 no
C6 H3 H3 127.7 4 4 4 no
C6 H3 H4 12.4 4 4 4 no
C6 H3 H5 13.1 4 4 4 no
C6 H3 H6 109.8 4 4 4 no
C6 H3 H6 152.3 4 4 4 no
C6 H3 H7 123.8 4 4 4 no
C6 H3 H7 100.8 4 4 4 no
C6 H3 H8 49.5 4 4 4 no
C6 H3 H8 116.3 4 4 4 no
C6 H3 H8 53.4 4 4 4 no
C6 H3 H9 51.0 4 4 4 no
C7 H3 C8 26.6 . . . no
C7 H3 C8 20.2 . . . no
C7 H3 C9 36.8 . . . no
C7 H3 C9 109.3 . . . no
C7 H3 C10 118.2 . . . no
C7 H3 C11 135.3 . . . no
C7 H3 H1 97.5 . . . no
C7 H3 H2 118.8 . . . no
C7 H3 H3 73.6 . . . no
C7 H3 H4 127.1 . . . no
C7 H3 H5 149.4 . . . no
C7 H3 H6 40.4 . . . no
C7 H3 H6 29.2 . . . no
C7 H3 H7 97.3 . . . no
C7 H3 H7 111.3 . . . no
C7 H3 H8 128.0 . . . no
C7 H3 H8 96.3 . . . no
C7 H3 H8 140.1 . . . no
C7 H3 H9 147.4 . . . no
C8 H3 C8 40.5 . . . no
C8 H3 C9 17.6 . . . no
C8 H3 C9 90.2 . . . no
C8 H3 C10 93.9 . . . no
C8 H3 C11 108.9 . . . no
C8 H3 H1 115.4 . . . no
C8 H3 H2 144.6 . . . no
C8 H3 H3 97.2 . . . no
C8 H3 H4 116.0 . . . no
C8 H3 H5 141.2 . . . no
C8 H3 H6 18.3 . . . no
C8 H3 H6 53.1 . . . no
C8 H3 H7 100.3 . . . no
C8 H3 H7 96.6 . . . no
C8 H3 H8 101.7 . . . no
C8 H3 H8 115.2 . . . no
C8 H3 H8 113.6 . . . no
C8 H3 H9 121.1 . . . no
C8 H3 C9 42.1 7 7 7 no
C8 H3 C9 102.8 7 7 7 no
C8 H3 C10 117.9 7 7 7 no
C8 H3 C11 139.7 7 7 7 no
C8 H3 H1 102.1 7 7 7 no
C8 H3 H2 110.8 7 7 7 no
C8 H3 H3 56.7 7 7 7 no
C8 H3 H4 146.5 7 7 7 no
C8 H3 H5 162.8 7 7 7 no
C8 H3 H6 57.6 7 7 7 no
C8 H3 H6 13.6 7 7 7 no
C8 H3 H7 78.6 7 7 7 no
C8 H3 H7 100.6 7 7 7 no
C8 H3 H8 139.0 7 7 7 no
C8 H3 H8 76.9 7 7 7 no
C8 H3 H8 143.5 7 7 7 no
C8 H3 H9 148.3 7 7 7 no
C9 H3 C9 74.3 . . . no
C9 H3 C10 81.4 . . . no
C9 H3 C11 100.1 . . . no
C9 H3 H1 132.1 . . . no
C9 H3 H2 152.9 . . . no
C9 H3 H3 95.4 . . . no
C9 H3 H4 125.3 . . . no
C9 H3 H5 147.5 . . . no
C9 H3 H6 30.8 . . . no
C9 H3 H6 55.8 . . . no
C9 H3 H7 84.5 . . . no
C9 H3 H7 79.5 . . . no
C9 H3 H8 96.9 . . . no
C9 H3 H8 106.7 . . . no
C9 H3 H8 104.6 . . . no
C9 H3 H9 111.4 . . . no
C9 H3 C10 20.5 5_656 5_656 5_656 no
C9 H3 C11 41.2 5_656 5_656 5_656 no
C9 H3 H1 153.2 5_656 5_656 5_656 no
C9 H3 H2 121.4 5_656 5_656 5_656 no
C9 H3 H3 109.5 5_656 5_656 5_656 no
C9 H3 H4 100.0 5_656 5_656 5_656 no
C9 H3 H5 94.4 5_656 5_656 5_656 no
C9 H3 H6 91.7 5_656 5_656 5_656 no
C9 H3 H6 111.3 5_656 5_656 5_656 no
C9 H3 H7 51.9 5_656 5_656 5_656 no
C9 H3 H7 12.7 5_656 5_656 5_656 no
C9 H3 H8 52.0 5_656 5_656 5_656 no
C9 H3 H8 89.0 5_656 5_656 5_656 no
C9 H3 H8 43.0 5_656 5_656 5_656 no
C9 H3 H9 45.8 5_656 5_656 5_656 no
C10 H3 C11 22.6 3_646 3_646 3_646 no
C10 H3 H1 139.8 3_646 3_646 3_646 no
C10 H3 H2 121.4 3_646 3_646 3_646 no
C10 H3 H3 128.8 3_646 3_646 3_646 no
C10 H3 H4 80.3 3_646 3_646 3_646 no
C10 H3 H5 78.9 3_646 3_646 3_646 no
C10 H3 H6 88.8 3_646 3_646 3_646 no
C10 H3 H6 128.7 3_646 3_646 3_646 no
C10 H3 H7 71.1 3_646 3_646 3_646 no
C10 H3 H7 31.3 3_646 3_646 3_646 no
C10 H3 H8 31.6 3_646 3_646 3_646 no
C10 H3 H8 105.6 3_646 3_646 3_646 no
C10 H3 H8 25.7 3_646 3_646 3_646 no
C10 H3 H9 30.9 3_646 3_646 3_646 no
C11 H3 H1 117.2 3_646 3_646 3_646 no
C11 H3 H2 105.7 3_646 3_646 3_646 no
C11 H3 H3 138.4 3_646 3_646 3_646 no
C11 H3 H4 58.8 3_646 3_646 3_646 no
C11 H3 H5 56.6 3_646 3_646 3_646 no
C11 H3 H6 98.4 3_646 3_646 3_646 no
C11 H3 H6 151.2 3_646 3_646 3_646 no
C11 H3 H7 85.5 3_646 3_646 3_646 no
C11 H3 H7 48.8 3_646 3_646 3_646 no
C11 H3 H8 15.0 3_646 3_646 3_646 no
C11 H3 H8 111.8 3_646 3_646 3_646 no
C11 H3 H8 4.8 3_646 3_646 3_646 no
C11 H3 H9 12.3 3_646 3_646 3_646 no
H1 H3 H2 38.2 . . . no
H1 H3 H3 76.6 . . . no
H1 H3 H4 62.6 . . . no
H1 H3 H5 61.0 . . . no
H1 H3 H6 110.1 . . . no
H1 H3 H6 91.5 . . . no
H1 H3 H7 125.0 . . . no
H1 H3 H7 147.9 . . . no
H1 H3 H8 111.3 . . . no
H1 H3 H8 87.1 . . . no
H1 H3 H8 114.1 . . . no
H1 H3 H9 109.6 . . . no
H2 H3 H3 59.5 . . . no
H2 H3 H4 76.5 . . . no
H2 H3 H5 58.4 . . . no
H2 H3 H6 146.9 . . . no
H2 H3 H6 97.1 . . . no
H2 H3 H7 89.3 . . . no
H2 H3 H7 111.8 . . . no
H2 H3 H8 110.1 . . . no
H2 H3 H8 55.9 . . . no
H2 H3 H8 101.1 . . . no
H2 H3 H9 93.8 . . . no
H3 H3 H4 135.2 7 7 7 no
H3 H3 H5 117.1 7 7 7 no
H3 H3 H6 113.8 7 7 7 no
H3 H3 H6 44.6 7 7 7 no
H3 H3 H7 57.8 7 7 7 no
H3 H3 H7 97.7 7 7 7 no
H3 H3 H8 153.1 7 7 7 no
H3 H3 H8 26.7 7 7 7 no
H3 H3 H8 135.3 7 7 7 no
H3 H3 H9 129.3 7 7 7 no
H4 H3 H5 25.4 4 4 4 no
H4 H3 H6 97.8 4 4 4 no
H4 H3 H6 145.9 4 4 4 no
H4 H3 H7 134.9 4 4 4 no
H4 H3 H7 106.8 4 4 4 no
H4 H3 H8 49.3 4 4 4 no
H4 H3 H8 127.8 4 4 4 no
H4 H3 H8 57.6 4 4 4 no
H4 H3 H9 57.0 4 4 4 no
H5 H3 H6 122.9 4 4 4 no
H5 H3 H6 151.9 4 4 4 no
H5 H3 H7 112.7 4 4 4 no
H5 H3 H7 96.1 4 4 4 no
H5 H3 H8 54.3 4 4 4 no
H5 H3 H8 103.4 4 4 4 no
H5 H3 H8 53.2 4 4 4 no
H5 H3 H9 48.9 4 4 4 no
H6 H3 H6 69.2 . . . no
H6 H3 H7 115.2 . . . no
H6 H3 H7 101.1 . . . no
H6 H3 H8 88.3 . . . no
H6 H3 H8 133.5 . . . no
H6 H3 H8 103.1 . . . no
H6 H3 H9 110.6 . . . no
H6 H3 H7 77.4 7 7 7 no
H6 H3 H7 106.5 7 7 7 no
H6 H3 H8 152.6 7 7 7 no
H6 H3 H8 67.4 7 7 7 no
H6 H3 H8 154.1 7 7 7 no
H6 H3 H9 156.6 7 7 7 no
H7 H3 H7 39.9 3_656 3_656 3_656 no
H7 H3 H8 99.8 3_656 3_656 3_656 no
H7 H3 H8 38.7 3_656 3_656 3_656 no
H7 H3 H8 84.5 3_656 3_656 3_656 no
H7 H3 H9 82.1 3_656 3_656 3_656 no
H7 H3 H8 61.5 5_656 5_656 5_656 no
H7 H3 H8 76.3 5_656 5_656 5_656 no
H7 H3 H8 49.3 5_656 5_656 5_656 no
H7 H3 H9 50.1 5_656 5_656 5_656 no
H8 H3 H8 126.4 3_646 3_646 3_646 no
H8 H3 H8 17.8 3_646 3_646 3_646 no
H8 H3 H9 24.1 3_646 3_646 3_646 no
H8 H3 H8 108.6 3_656 3_656 3_656 no
H8 H3 H9 102.7 3_656 3_656 3_656 no
H8 H3 H9 7.6 5_656 5_656 5_656 no
O2 H4 O3 149.4 4_554 4_554 4_554 no
O2 H4 O4 118.1 4_554 4_554 4_554 no
O2 H4 O4 44.7 4_554 4_554 4_554 no
O2 H4 O4 118.1 4_554 4_554 4_554 no
O2 H4 N2 105.7 4_554 4_554 4_554 no
O2 H4 N3 20.7 4_554 4_554 4_554 no
O2 H4 C1 105.4 4_554 4_554 4_554 no
O2 H4 C2 139.6 4_554 4_554 4_554 no
O2 H4 C3 151.0 4_554 4_554 4_554 no
O2 H4 C3 64.1 4_554 4_554 4_554 no
O2 H4 C3 64.1 4_554 4_554 4_554 no
O2 H4 C4 54.5 4_554 4_554 4_554 no
O2 H4 C4 54.5 4_554 4_554 4_554 no
O2 H4 C5 66.4 4_554 4_554 4_554 no
O2 H4 C5 66.4 4_554 4_554 4_554 no
O2 H4 C6 176.6 4_554 4_554 4_554 no
O2 H4 C11 86.0 4_554 4_554 4_554 no
O2 H4 H1 169.0 4_554 4_554 4_554 no
O2 H4 H1 81.2 4_554 4_554 4_554 no
O2 H4 H1 81.2 4_554 4_554 4_554 no
O2 H4 H2 80.3 4_554 4_554 4_554 no
O2 H4 H2 80.3 4_554 4_554 4_554 no
O2 H4 H3 60.1 4_554 4_554 4_554 no
O2 H4 H3 60.1 4_554 4_554 4_554 no
O2 H4 H5 141.6 4_554 4_554 4_554 no
O2 H4 H5 141.6 4_554 4_554 4_554 no
O2 H4 H8 80.5 4_554 4_554 4_554 no
O2 H4 H8 80.5 4_554 4_554 4_554 no
O2 H4 H9 101.9 4_554 4_554 4_554 no
O2 H4 H10 81.9 4_554 4_554 4_554 no
O3 H4 O4 76.5 4 4 4 no
O3 H4 O4 165.9 4 4 4 no
O3 H4 O4 76.5 4 4 4 no
O3 H4 N2 104.9 4 4 4 no
O3 H4 N3 170.2 4 4 4 no
O3 H4 C1 105.2 4 4 4 no
O3 H4 C2 71.0 4 4 4 no
O3 H4 C3 59.5 4 4 4 no
O3 H4 C3 122.9 4 4 4 no
O3 H4 C3 122.9 4 4 4 no
O3 H4 C4 120.4 4 4 4 no
O3 H4 C4 120.4 4 4 4 no
O3 H4 C5 100.5 4 4 4 no
O3 H4 C5 100.5 4 4 4 no
O3 H4 C6 27.2 4 4 4 no
O3 H4 C11 63.4 4 4 4 no
O3 H4 H1 41.6 4 4 4 no
O3 H4 H1 109.4 4 4 4 no
O3 H4 H1 109.4 4 4 4 no
O3 H4 H2 89.9 4 4 4 no
O3 H4 H2 89.9 4 4 4 no
O3 H4 H3 100.1 4 4 4 no
O3 H4 H3 100.1 4 4 4 no
O3 H4 H5 32.9 4 4 4 no
O3 H4 H5 32.9 4 4 4 no
O3 H4 H8 70.1 4 4 4 no
O3 H4 H8 70.1 4 4 4 no
O3 H4 H9 47.5 4 4 4 no
O3 H4 H10 128.6 4 4 4 no
O4 H4 O4 95.6 . . . no
O4 H4 O4 109.2 . . . no
O4 H4 N2 63.1 . . . no
O4 H4 N3 108.7 . . . no
O4 H4 C1 63.2 . . . no
O4 H4 C2 54.7 . . . no
O4 H4 C3 54.9 . . . no
O4 H4 C3 53.9 . . . no
O4 H4 C3 140.9 . . . no
O4 H4 C4 66.8 . . . no
O4 H4 C4 158.9 . . . no
O4 H4 C5 66.2 . . . no
O4 H4 C5 175.2 . . . no
O4 H4 C6 63.3 . . . no
O4 H4 C11 111.7 . . . no
O4 H4 H1 58.2 . . . no
O4 H4 H1 36.9 . . . no
O4 H4 H1 132.6 . . . no
O4 H4 H2 53.7 . . . no
O4 H4 H2 160.9 . . . no
O4 H4 H3 79.9 . . . no
O4 H4 H3 168.8 . . . no
O4 H4 H5 46.2 . . . no
O4 H4 H5 100.0 . . . no
O4 H4 H8 128.1 . . . no
O4 H4 H8 100.4 . . . no
O4 H4 H9 103.5 . . . no
O4 H4 H10 74.4 . . . no
O4 H4 O4 95.6 4_554 4_554 4_554 no
O4 H4 N2 61.0 4_554 4_554 4_554 no
O4 H4 N3 23.9 4_554 4_554 4_554 no
O4 H4 C1 60.7 4_554 4_554 4_554 no
O4 H4 C2 94.9 4_554 4_554 4_554 no
O4 H4 C3 106.4 4_554 4_554 4_554 no
O4 H4 C3 57.2 4_554 4_554 4_554 no
O4 H4 C3 57.2 4_554 4_554 4_554 no
O4 H4 C4 65.1 4_554 4_554 4_554 no
O4 H4 C4 65.1 4_554 4_554 4_554 no
O4 H4 C5 86.5 4_554 4_554 4_554 no
O4 H4 C5 86.5 4_554 4_554 4_554 no
O4 H4 C6 138.7 4_554 4_554 4_554 no
O4 H4 C11 130.7 4_554 4_554 4_554 no
O4 H4 H1 124.3 4_554 4_554 4_554 no
O4 H4 H1 67.3 4_554 4_554 4_554 no
O4 H4 H1 67.3 4_554 4_554 4_554 no
O4 H4 H2 94.8 4_554 4_554 4_554 no
O4 H4 H2 94.8 4_554 4_554 4_554 no
O4 H4 H3 89.8 4_554 4_554 4_554 no
O4 H4 H3 89.8 4_554 4_554 4_554 no
O4 H4 H5 141.7 4_554 4_554 4_554 no
O4 H4 H5 141.7 4_554 4_554 4_554 no
O4 H4 H8 123.3 4_554 4_554 4_554 no
O4 H4 H8 123.3 4_554 4_554 4_554 no
O4 H4 H9 146.6 4_554 4_554 4_554 no
O4 H4 H10 37.3 4_554 4_554 4_554 no
O4 H4 N2 63.1 1_565 1_565 1_565 no
O4 H4 N3 108.7 1_565 1_565 1_565 no
O4 H4 C1 63.2 1_565 1_565 1_565 no
O4 H4 C2 54.7 1_565 1_565 1_565 no
O4 H4 C3 54.9 1_565 1_565 1_565 no
O4 H4 C3 140.9 1_565 1_565 1_565 no
O4 H4 C3 53.9 1_565 1_565 1_565 no
O4 H4 C4 158.9 1_565 1_565 1_565 no
O4 H4 C4 66.8 1_565 1_565 1_565 no
O4 H4 C5 175.2 1_565 1_565 1_565 no
O4 H4 C5 66.2 1_565 1_565 1_565 no
O4 H4 C6 63.3 1_565 1_565 1_565 no
O4 H4 C11 111.7 1_565 1_565 1_565 no
O4 H4 H1 58.2 1_565 1_565 1_565 no
O4 H4 H1 132.6 1_565 1_565 1_565 no
O4 H4 H1 36.9 1_565 1_565 1_565 no
O4 H4 H2 160.9 1_565 1_565 1_565 no
O4 H4 H2 53.7 1_565 1_565 1_565 no
O4 H4 H3 168.8 1_565 1_565 1_565 no
O4 H4 H3 79.9 1_565 1_565 1_565 no
O4 H4 H5 100.0 1_565 1_565 1_565 no
O4 H4 H5 46.2 1_565 1_565 1_565 no
O4 H4 H8 100.4 1_565 1_565 1_565 no
O4 H4 H8 128.1 1_565 1_565 1_565 no
O4 H4 H9 103.5 1_565 1_565 1_565 no
O4 H4 H10 74.4 1_565 1_565 1_565 no
N2 H4 N3 84.9 . . . no
N2 H4 C1 0.3 . . . no
N2 H4 C2 33.9 . . . no
N2 H4 C3 45.4 . . . no
N2 H4 C3 78.4 . . . no
N2 H4 C3 78.4 . . . no
N2 H4 C4 98.4 . . . no
N2 H4 C4 98.4 . . . no
N2 H4 C5 114.6 . . . no
N2 H4 C5 114.6 . . . no
N2 H4 C6 77.7 . . . no
N2 H4 C11 168.3 . . . no
N2 H4 H1 63.3 . . . no
N2 H4 H1 70.2 . . . no
N2 H4 H1 70.2 . . . no
N2 H4 H2 108.9 . . . no
N2 H4 H2 108.9 . . . no
N2 H4 H3 127.9 . . . no
N2 H4 H3 127.9 . . . no
N2 H4 H5 95.8 . . . no
N2 H4 H5 95.8 . . . no
N2 H4 H8 163.5 . . . no
N2 H4 H8 163.5 . . . no
N2 H4 H9 152.4 . . . no
N2 H4 H10 23.7 . . . no
N3 H4 C1 84.6 4_554 4_554 4_554 no
N3 H4 C2 118.8 4_554 4_554 4_554 no
N3 H4 C3 130.3 4_554 4_554 4_554 no
N3 H4 C3 58.3 4_554 4_554 4_554 no
N3 H4 C3 58.3 4_554 4_554 4_554 no
N3 H4 C4 56.8 4_554 4_554 4_554 no
N3 H4 C4 56.8 4_554 4_554 4_554 no
N3 H4 C5 74.8 4_554 4_554 4_554 no
N3 H4 C5 74.8 4_554 4_554 4_554 no
N3 H4 C6 162.6 4_554 4_554 4_554 no
N3 H4 C11 106.7 4_554 4_554 4_554 no
N3 H4 H1 148.2 4_554 4_554 4_554 no
N3 H4 H1 73.5 4_554 4_554 4_554 no
N3 H4 H1 73.5 4_554 4_554 4_554 no
N3 H4 H2 86.9 4_554 4_554 4_554 no
N3 H4 H2 86.9 4_554 4_554 4_554 no
N3 H4 H3 73.2 4_554 4_554 4_554 no
N3 H4 H3 73.2 4_554 4_554 4_554 no
N3 H4 H5 147.9 4_554 4_554 4_554 no
N3 H4 H5 147.9 4_554 4_554 4_554 no
N3 H4 H8 100.4 4_554 4_554 4_554 no
N3 H4 H8 100.4 4_554 4_554 4_554 no
N3 H4 H9 122.7 4_554 4_554 4_554 no
N3 H4 H10 61.2 4_554 4_554 4_554 no
C1 H4 C2 34.2 . . . no
C1 H4 C3 45.7 . . . no
C1 H4 C3 78.3 . . . no
C1 H4 C3 78.3 . . . no
C1 H4 C4 98.2 . . . no
C1 H4 C4 98.2 . . . no
C1 H4 C5 114.5 . . . no
C1 H4 C5 114.5 . . . no
C1 H4 C6 78.0 . . . no
C1 H4 C11 168.6 . . . no
C1 H4 H1 63.6 . . . no
C1 H4 H1 70.1 . . . no
C1 H4 H1 70.1 . . . no
C1 H4 H2 108.8 . . . no
C1 H4 H2 108.8 . . . no
C1 H4 H3 127.8 . . . no
C1 H4 H3 127.8 . . . no
C1 H4 H5 96.0 . . . no
C1 H4 H5 96.0 . . . no
C1 H4 H8 163.6 . . . no
C1 H4 H8 163.6 . . . no
C1 H4 H9 152.7 . . . no
C1 H4 H10 23.4 . . . no
C2 H4 C3 11.5 . . . no
C2 H4 C3 96.8 . . . no
C2 H4 C3 96.8 . . . no
C2 H4 C4 115.8 . . . no
C2 H4 C4 115.8 . . . no
C2 H4 C5 120.8 . . . no
C2 H4 C5 120.8 . . . no
C2 H4 C6 43.8 . . . no
C2 H4 C11 134.4 . . . no
C2 H4 H1 29.4 . . . no
C2 H4 H1 82.0 . . . no
C2 H4 H1 82.0 . . . no
C2 H4 H2 108.4 . . . no
C2 H4 H2 108.4 . . . no
C2 H4 H3 134.7 . . . no
C2 H4 H3 134.7 . . . no
C2 H4 H5 67.3 . . . no
C2 H4 H5 67.3 . . . no
C2 H4 H8 137.9 . . . no
C2 H4 H8 137.9 . . . no
C2 H4 H9 118.5 . . . no
C2 H4 H10 57.6 . . . no
C3 H4 C3 102.8 . . . no
C3 H4 C3 102.8 . . . no
C3 H4 C4 120.2 . . . no
C3 H4 C4 120.2 . . . no
C3 H4 C5 120.3 . . . no
C3 H4 C5 120.3 . . . no
C3 H4 C6 32.3 . . . no
C3 H4 C11 123.0 . . . no
C3 H4 H1 18.0 . . . no
C3 H4 H1 86.8 . . . no
C3 H4 H1 86.8 . . . no
C3 H4 H2 106.7 . . . no
C3 H4 H2 106.7 . . . no
C3 H4 H3 132.7 . . . no
C3 H4 H3 132.7 . . . no
C3 H4 H5 58.1 . . . no
C3 H4 H5 58.1 . . . no
C3 H4 H8 127.2 . . . no
C3 H4 H8 127.2 . . . no
C3 H4 H9 107.0 . . . no
C3 H4 H10 69.1 . . . no
C3 H4 C3 113.7 4_554 4_554 4_554 no
C3 H4 C4 20.2 4_554 4_554 4_554 no
C3 H4 C4 115.1 4_554 4_554 4_554 no
C3 H4 C5 38.0 4_554 4_554 4_554 no
C3 H4 C5 130.5 4_554 4_554 4_554 no
C3 H4 C6 117.1 4_554 4_554 4_554 no
C3 H4 C11 107.4 4_554 4_554 4_554 no
C3 H4 H1 111.4 4_554 4_554 4_554 no
C3 H4 H1 17.1 4_554 4_554 4_554 no
C3 H4 H1 124.1 4_554 4_554 4_554 no
C3 H4 H2 39.9 4_554 4_554 4_554 no
C3 H4 H2 144.2 4_554 4_554 4_554 no
C3 H4 H3 49.7 4_554 4_554 4_554 no
C3 H4 H3 122.7 4_554 4_554 4_554 no
C3 H4 H5 90.3 4_554 4_554 4_554 no
C3 H4 H5 153.2 4_554 4_554 4_554 no
C3 H4 H8 117.7 4_554 4_554 4_554 no
C3 H4 H8 91.0 4_554 4_554 4_554 no
C3 H4 H9 114.4 4_554 4_554 4_554 no
C3 H4 H10 67.2 4_554 4_554 4_554 no
C3 H4 C4 115.1 4_564 4_564 4_564 no
C3 H4 C4 20.2 4_564 4_564 4_564 no
C3 H4 C5 130.5 4_564 4_564 4_564 no
C3 H4 C5 38.0 4_564 4_564 4_564 no
C3 H4 C6 117.1 4_564 4_564 4_564 no
C3 H4 C11 107.4 4_564 4_564 4_564 no
C3 H4 H1 111.4 4_564 4_564 4_564 no
C3 H4 H1 124.1 4_564 4_564 4_564 no
C3 H4 H1 17.1 4_564 4_564 4_564 no
C3 H4 H2 144.2 4_564 4_564 4_564 no
C3 H4 H2 39.9 4_564 4_564 4_564 no
C3 H4 H3 122.7 4_564 4_564 4_564 no
C3 H4 H3 49.7 4_564 4_564 4_564 no
C3 H4 H5 153.2 4_564 4_564 4_564 no
C3 H4 H5 90.3 4_564 4_564 4_564 no
C3 H4 H8 91.0 4_564 4_564 4_564 no
C3 H4 H8 117.7 4_564 4_564 4_564 no
C3 H4 H9 114.4 4_564 4_564 4_564 no
C3 H4 H10 67.2 4_564 4_564 4_564 no
C4 H4 C4 108.9 4_554 4_554 4_554 no
C4 H4 C5 21.9 4_554 4_554 4_554 no
C4 H4 C5 118.0 4_554 4_554 4_554 no
C4 H4 C6 125.5 4_554 4_554 4_554 no
C4 H4 C11 88.3 4_554 4_554 4_554 no
C4 H4 H1 124.6 4_554 4_554 4_554 no
C4 H4 H1 33.8 4_554 4_554 4_554 no
C4 H4 H1 130.0 4_554 4_554 4_554 no
C4 H4 H2 30.6 4_554 4_554 4_554 no
C4 H4 H2 132.3 4_554 4_554 4_554 no
C4 H4 H3 30.6 4_554 4_554 4_554 no
C4 H4 H3 107.0 4_554 4_554 4_554 no
C4 H4 H5 91.6 4_554 4_554 4_554 no
C4 H4 H5 153.0 4_554 4_554 4_554 no
C4 H4 H8 97.6 4_554 4_554 4_554 no
C4 H4 H8 72.4 4_554 4_554 4_554 no
C4 H4 H9 97.6 4_554 4_554 4_554 no
C4 H4 H10 84.7 4_554 4_554 4_554 no
C4 H4 C5 118.0 4_564 4_564 4_564 no
C4 H4 C5 21.9 4_564 4_564 4_564 no
C4 H4 C6 125.5 4_564 4_564 4_564 no
C4 H4 C11 88.3 4_564 4_564 4_564 no
C4 H4 H1 124.6 4_564 4_564 4_564 no
C4 H4 H1 130.0 4_564 4_564 4_564 no
C4 H4 H1 33.8 4_564 4_564 4_564 no
C4 H4 H2 132.3 4_564 4_564 4_564 no
C4 H4 H2 30.6 4_564 4_564 4_564 no
C4 H4 H3 107.0 4_564 4_564 4_564 no
C4 H4 H3 30.6 4_564 4_564 4_564 no
C4 H4 H5 153.0 4_564 4_564 4_564 no
C4 H4 H5 91.6 4_564 4_564 4_564 no
C4 H4 H8 72.4 4_564 4_564 4_564 no
C4 H4 H8 97.6 4_564 4_564 4_564 no
C4 H4 H9 97.6 4_564 4_564 4_564 no
C4 H4 H10 84.7 4_564 4_564 4_564 no
C5 H4 C5 118.3 4_554 4_554 4_554 no
C5 H4 C6 112.4 4_554 4_554 4_554 no
C5 H4 C11 69.7 4_554 4_554 4_554 no
C5 H4 H1 117.0 4_554 4_554 4_554 no
C5 H4 H1 44.5 4_554 4_554 4_554 no
C5 H4 H1 147.4 4_554 4_554 4_554 no
C5 H4 H2 14.3 4_554 4_554 4_554 no
C5 H4 H2 130.5 4_554 4_554 4_554 no
C5 H4 H3 14.5 4_554 4_554 4_554 no
C5 H4 H3 104.5 4_554 4_554 4_554 no
C5 H4 H5 75.8 4_554 4_554 4_554 no
C5 H4 H5 131.8 4_554 4_554 4_554 no
C5 H4 H8 81.9 4_554 4_554 4_554 no
C5 H4 H8 53.2 4_554 4_554 4_554 no
C5 H4 H9 76.7 4_554 4_554 4_554 no
C5 H4 H10 105.1 4_554 4_554 4_554 no
C5 H4 C6 112.4 4_564 4_564 4_564 no
C5 H4 C11 69.7 4_564 4_564 4_564 no
C5 H4 H1 117.0 4_564 4_564 4_564 no
C5 H4 H1 147.4 4_564 4_564 4_564 no
C5 H4 H1 44.5 4_564 4_564 4_564 no
C5 H4 H2 130.5 4_564 4_564 4_564 no
C5 H4 H2 14.3 4_564 4_564 4_564 no
C5 H4 H3 104.5 4_564 4_564 4_564 no
C5 H4 H3 14.5 4_564 4_564 4_564 no
C5 H4 H5 131.8 4_564 4_564 4_564 no
C5 H4 H5 75.8 4_564 4_564 4_564 no
C5 H4 H8 53.2 4_564 4_564 4_564 no
C5 H4 H8 81.9 4_564 4_564 4_564 no
C5 H4 H9 76.7 4_564 4_564 4_564 no
C5 H4 H10 105.1 4_564 4_564 4_564 no
C6 H4 C11 90.6 . . . no
C6 H4 H1 14.4 . . . no
C6 H4 H1 100.2 . . . no
C6 H4 H1 100.2 . . . no
C6 H4 H2 98.7 . . . no
C6 H4 H2 98.7 . . . no
C6 H4 H3 117.9 . . . no
C6 H4 H3 117.9 . . . no
C6 H4 H5 36.8 . . . no
C6 H4 H5 36.8 . . . no
C6 H4 H8 96.3 . . . no
C6 H4 H8 96.3 . . . no
C6 H4 H9 74.7 . . . no
C6 H4 H10 101.4 . . . no
C11 H4 H1 105.0 2_455 2_455 2_455 no
C11 H4 H1 112.5 2_455 2_455 2_455 no
C11 H4 H1 112.5 2_455 2_455 2_455 no
C11 H4 H2 72.5 2_455 2_455 2_455 no
C11 H4 H2 72.5 2_455 2_455 2_455 no
C11 H4 H3 57.8 2_455 2_455 2_455 no
C11 H4 H3 57.8 2_455 2_455 2_455 no
C11 H4 H5 74.4 2_455 2_455 2_455 no
C11 H4 H5 74.4 2_455 2_455 2_455 no
C11 H4 H8 16.6 2_455 2_455 2_455 no
C11 H4 H8 16.6 2_455 2_455 2_455 no
C11 H4 H9 15.9 2_455 2_455 2_455 no
C11 H4 H10 167.9 2_455 2_455 2_455 no
H1 H4 H1 94.3 . . . no
H1 H4 H1 94.3 . . . no
H1 H4 H2 102.7 . . . no
H1 H4 H2 102.7 . . . no
H1 H4 H3 125.8 . . . no
H1 H4 H3 125.8 . . . no
H1 H4 H5 45.0 . . . no
H1 H4 H5 45.0 . . . no
H1 H4 H8 110.1 . . . no
H1 H4 H8 110.1 . . . no
H1 H4 H9 89.1 . . . no
H1 H4 H10 87.0 . . . no
H1 H4 H1 129.9 4_554 4_554 4_554 no
H1 H4 H2 40.0 4_554 4_554 4_554 no
H1 H4 H2 160.4 4_554 4_554 4_554 no
H1 H4 H3 58.5 4_554 4_554 4_554 no
H1 H4 H3 139.7 4_554 4_554 4_554 no
H1 H4 H5 76.6 4_554 4_554 4_554 no
H1 H4 H5 136.8 4_554 4_554 4_554 no
H1 H4 H8 126.2 4_554 4_554 4_554 no
H1 H4 H8 96.1 4_554 4_554 4_554 no
H1 H4 H9 114.7 4_554 4_554 4_554 no
H1 H4 H10 65.7 4_554 4_554 4_554 no
H1 H4 H2 160.4 4_564 4_564 4_564 no
H1 H4 H2 40.0 4_564 4_564 4_564 no
H1 H4 H3 139.7 4_564 4_564 4_564 no
H1 H4 H3 58.5 4_564 4_564 4_564 no
H1 H4 H5 136.8 4_564 4_564 4_564 no
H1 H4 H5 76.6 4_564 4_564 4_564 no
H1 H4 H8 96.1 4_564 4_564 4_564 no
H1 H4 H8 126.2 4_564 4_564 4_564 no
H1 H4 H9 114.7 4_564 4_564 4_564 no
H1 H4 H10 65.7 4_564 4_564 4_564 no
H2 H4 H2 141.0 4_554 4_554 4_554 no
H2 H4 H3 26.4 4_554 4_554 4_554 no
H2 H4 H3 116.1 4_554 4_554 4_554 no
H2 H4 H5 62.5 4_554 4_554 4_554 no
H2 H4 H5 122.5 4_554 4_554 4_554 no
H2 H4 H8 87.1 4_554 4_554 4_554 no
H2 H4 H8 56.4 4_554 4_554 4_554 no
H2 H4 H9 75.6 4_554 4_554 4_554 no
H2 H4 H10 105.2 4_554 4_554 4_554 no
H2 H4 H3 116.1 4_564 4_564 4_564 no
H2 H4 H3 26.4 4_564 4_564 4_564 no
H2 H4 H5 122.5 4_564 4_564 4_564 no
H2 H4 H5 62.5 4_564 4_564 4_564 no
H2 H4 H8 56.4 4_564 4_564 4_564 no
H2 H4 H8 87.1 4_564 4_564 4_564 no
H2 H4 H9 75.6 4_564 4_564 4_564 no
H2 H4 H10 105.2 4_564 4_564 4_564 no
H3 H4 H3 90.3 4_554 4_554 4_554 no
H3 H4 H5 81.5 4_554 4_554 4_554 no
H3 H4 H5 127.2 4_554 4_554 4_554 no
H3 H4 H8 68.5 4_554 4_554 4_554 no
H3 H4 H8 41.8 4_554 4_554 4_554 no
H3 H4 H9 67.4 4_554 4_554 4_554 no
H3 H4 H10 115.1 4_554 4_554 4_554 no
H3 H4 H5 127.2 6_554 6_554 6_554 no
H3 H4 H5 81.5 6_554 6_554 6_554 no
H3 H4 H8 41.8 6_554 6_554 6_554 no
H3 H4 H8 68.5 6_554 6_554 6_554 no
H3 H4 H9 67.4 6_554 6_554 6_554 no
H3 H4 H10 115.1 6_554 6_554 6_554 no
H5 H4 H5 64.1 . . . no
H5 H4 H8 88.0 . . . no
H5 H4 H8 71.4 . . . no
H5 H4 H9 61.4 . . . no
H5 H4 H10 115.5 . . . no
H5 H4 H8 71.4 7 7 7 no
H5 H4 H8 88.0 7 7 7 no
H5 H4 H9 61.4 7 7 7 no
H5 H4 H10 115.5 7 7 7 no
H8 H4 H8 31.0 2_455 2_455 2_455 no
H8 H4 H9 26.6 2_455 2_455 2_455 no
H8 H4 H10 156.4 2_455 2_455 2_455 no
H8 H4 H9 26.6 8_455 8_455 8_455 no
H8 H4 H10 156.4 8_455 8_455 8_455 no
H9 H4 H10 176.1 2_455 2_455 2_455 no
O1 H5 O2 117.2 4 4 4 no
O1 H5 O3 77.1 4 4 4 no
O1 H5 O4 69.1 4 4 4 no
O1 H5 N2 140.3 4 4 4 no
O1 H5 N2 40.9 4 4 4 no
O1 H5 N3 82.8 4 4 4 no
O1 H5 N3 76.7 4 4 4 no
O1 H5 C1 21.1 4 4 4 no
O1 H5 C2 141.5 4 4 4 no
O1 H5 C3 121.2 4 4 4 no
O1 H5 C5 60.9 4 4 4 no
O1 H5 C6 174.3 4 4 4 no
O1 H5 C11 80.2 4 4 4 no
O1 H5 H1 107.2 4 4 4 no
O1 H5 H1 80.6 4 4 4 no
O1 H5 H2 52.0 4 4 4 no
O1 H5 H3 67.0 4 4 4 no
O1 H5 H4 140.1 4 4 4 no
O1 H5 H5 144.6 4 4 4 no
O1 H5 H8 97.2 4 4 4 no
O1 H5 H8 72.1 4 4 4 no
O1 H5 H9 74.5 4 4 4 no
O1 H5 H10 139.8 4 4 4 no
O1 H5 H10 48.7 4 4 4 no
O2 H5 O3 140.6 4_554 4_554 4_554 no
O2 H5 O4 107.4 4_554 4_554 4_554 no
O2 H5 N2 68.5 4_554 4_554 4_554 no
O2 H5 N2 150.1 4_554 4_554 4_554 no
O2 H5 N3 105.5 4_554 4_554 4_554 no
O2 H5 N3 150.1 4_554 4_554 4_554 no
O2 H5 C1 138.3 4_554 4_554 4_554 no
O2 H5 C2 86.9 4_554 4_554 4_554 no
O2 H5 C3 114.1 4_554 4_554 4_554 no
O2 H5 C5 57.9 4_554 4_554 4_554 no
O2 H5 C6 60.1 4_554 4_554 4_554 no
O2 H5 C11 68.6 4_554 4_554 4_554 no
O2 H5 H1 134.3 4_554 4_554 4_554 no
O2 H5 H1 66.6 4_554 4_554 4_554 no
O2 H5 H2 68.8 4_554 4_554 4_554 no
O2 H5 H3 50.2 4_554 4_554 4_554 no
O2 H5 H4 23.0 4_554 4_554 4_554 no
O2 H5 H5 76.8 4_554 4_554 4_554 no
O2 H5 H8 59.1 4_554 4_554 4_554 no
O2 H5 H8 62.4 4_554 4_554 4_554 no
O2 H5 H9 85.4 4_554 4_554 4_554 no
O2 H5 H10 50.4 4_554 4_554 4_554 no
O2 H5 H10 139.8 4_554 4_554 4_554 no
O3 H5 O4 111.9 4 4 4 no
O3 H5 N2 125.3 4 4 4 no
O3 H5 N2 64.6 4 4 4 no
O3 H5 N3 112.8 4 4 4 no
O3 H5 N3 10.7 4 4 4 no
O3 H5 C1 61.9 4 4 4 no
O3 H5 C2 103.8 4 4 4 no
O3 H5 C3 81.2 4 4 4 no
O3 H5 C5 131.5 4 4 4 no
O3 H5 C6 101.8 4 4 4 no
O3 H5 C11 79.2 4 4 4 no
O3 H5 H1 58.2 4 4 4 no
O3 H5 H1 151.3 4 4 4 no
O3 H5 H2 127.0 4 4 4 no
O3 H5 H3 126.5 4 4 4 no
O3 H5 H4 130.1 4 4 4 no
O3 H5 H5 73.5 4 4 4 no
O3 H5 H8 83.7 4 4 4 no
O3 H5 H8 91.8 4 4 4 no
O3 H5 H9 62.2 4 4 4 no
O3 H5 H10 139.4 4 4 4 no
O3 H5 H10 78.3 4 4 4 no
O4 H5 N2 71.8 . . . no
O4 H5 N2 51.0 . . . no
O4 H5 N3 14.3 . . . no
O4 H5 N3 102.2 . . . no
O4 H5 C1 66.5 . . . no
O4 H5 C2 75.3 . . . no
O4 H5 C3 69.9 . . . no
O4 H5 C5 76.2 . . . no
O4 H5 C6 116.3 . . . no
O4 H5 C11 143.1 . . . no
O4 H5 H1 78.0 . . . no
O4 H5 H1 42.0 . . . no
O4 H5 H2 66.6 . . . no
O4 H5 H3 91.3 . . . no
O4 H5 H4 112.8 . . . no
O4 H5 H5 141.0 . . . no
O4 H5 H8 155.0 . . . no
O4 H5 H8 127.6 . . . no
O4 H5 H9 143.4 . . . no
O4 H5 H10 78.8 . . . no
O4 H5 H10 35.3 . . . no
N2 H5 N2 113.8 . . . no
N2 H5 N3 59.0 . . . no
N2 H5 N3 119.1 . . . no
N2 H5 C1 135.7 . . . no
N2 H5 C2 21.7 . . . no
N2 H5 C3 47.5 . . . no
N2 H5 C5 103.0 . . . no
N2 H5 C6 44.7 . . . no
N2 H5 C11 131.8 . . . no
N2 H5 H1 70.7 . . . no
N2 H5 H1 65.6 . . . no
N2 H5 H2 105.2 . . . no
N2 H5 H3 107.4 . . . no
N2 H5 H4 53.8 . . . no
N2 H5 H5 74.3 . . . no
N2 H5 H8 116.0 . . . no
N2 H5 H8 130.7 . . . no
N2 H5 H9 143.1 . . . no
N2 H5 H10 18.3 . . . no
N2 H5 H10 99.7 . . . no
N2 H5 N3 59.0 4 4 4 no
N2 H5 N3 57.3 4 4 4 no
N2 H5 C1 23.2 4 4 4 no
N2 H5 C2 103.8 4 4 4 no
N2 H5 C3 80.4 4 4 4 no
N2 H5 C5 93.9 4 4 4 no
N2 H5 C6 143.7 4 4 4 no
N2 H5 C11 114.3 4 4 4 no
N2 H5 H1 67.7 4 4 4 no
N2 H5 H1 86.8 4 4 4 no
N2 H5 H2 82.3 4 4 4 no
N2 H5 H3 104.5 4 4 4 no
N2 H5 H4 163.8 4 4 4 no
N2 H5 H5 133.1 4 4 4 no
N2 H5 H8 130.1 4 4 4 no
N2 H5 H8 111.2 4 4 4 no
N2 H5 H9 101.9 4 4 4 no
N2 H5 H10 127.0 4 4 4 no
N2 H5 H10 15.9 4 4 4 no
N3 H5 N3 102.3 . . . no
N3 H5 C1 77.7 . . . no
N3 H5 C2 61.0 . . . no
N3 H5 C3 57.1 . . . no
N3 H5 C5 86.3 . . . no
N3 H5 C6 102.7 . . . no
N3 H5 C11 156.3 . . . no
N3 H5 H1 68.7 . . . no
N3 H5 H1 45.9 . . . no
N3 H5 H2 78.0 . . . no
N3 H5 H3 101.0 . . . no
N3 H5 H4 105.3 . . . no
N3 H5 H5 126.8 . . . no
N3 H5 H8 162.9 . . . no
N3 H5 H8 140.0 . . . no
N3 H5 H9 157.4 . . . no
N3 H5 H10 68.5 . . . no
N3 H5 H10 43.2 . . . no
N3 H5 C1 58.8 4 4 4 no
N3 H5 C2 97.4 4 4 4 no
N3 H5 C3 72.9 4 4 4 no
N3 H5 C5 135.4 4 4 4 no
N3 H5 C6 103.3 4 4 4 no
N3 H5 C11 89.7 4 4 4 no
N3 H5 H1 49.5 4 4 4 no
N3 H5 H1 143.2 4 4 4 no
N3 H5 H2 128.5 4 4 4 no
N3 H5 H3 133.5 4 4 4 no
N3 H5 H4 135.9 4 4 4 no
N3 H5 H5 78.0 4 4 4 no
N3 H5 H8 94.3 4 4 4 no
N3 H5 H8 101.6 4 4 4 no
N3 H5 H9 72.6 4 4 4 no
N3 H5 H10 135.3 4 4 4 no
N3 H5 H10 69.8 4 4 4 no
C1 H5 C2 126.9 4 4 4 no
C1 H5 C3 102.6 4 4 4 no
C1 H5 C5 81.3 4 4 4 no
C1 H5 C6 161.2 4 4 4 no
C1 H5 C11 91.7 4 4 4 no
C1 H5 H1 86.4 4 4 4 no
C1 H5 H1 91.6 4 4 4 no
C1 H5 H2 71.4 4 4 4 no
C1 H5 H3 88.1 4 4 4 no
C1 H5 H4 161.2 4 4 4 no
C1 H5 H5 135.1 4 4 4 no
C1 H5 H8 108.1 4 4 4 no
C1 H5 H8 88.0 4 4 4 no
C1 H5 H9 81.0 4 4 4 no
C1 H5 H10 145.3 4 4 4 no
C1 H5 H10 36.1 4 4 4 no
C2 H5 C3 27.2 . . . no
C2 H5 C5 124.0 . . . no
C2 H5 C6 44.3 . . . no
C2 H5 C11 138.3 . . . no
C2 H5 H1 49.6 . . . no
C2 H5 H1 82.9 . . . no
C2 H5 H2 124.4 . . . no
C2 H5 H3 129.1 . . . no
C2 H5 H4 68.1 . . . no
C2 H5 H5 66.2 . . . no
C2 H5 H8 121.3 . . . no
C2 H5 H8 145.0 . . . no
C2 H5 H9 140.7 . . . no
C2 H5 H10 38.9 . . . no
C2 H5 H10 93.2 . . . no
C3 H5 C5 140.4 . . . no
C3 H5 C6 63.8 . . . no
C3 H5 C11 146.5 . . . no
C3 H5 H1 23.5 . . . no
C3 H5 H1 95.4 . . . no
C3 H5 H2 134.6 . . . no
C3 H5 H3 151.7 . . . no
C3 H5 H4 94.3 . . . no
C3 H5 H5 73.2 . . . no
C3 H5 H8 133.8 . . . no
C3 H5 H8 162.4 . . . no
C3 H5 H9 136.6 . . . no
C3 H5 H10 65.6 . . . no
C3 H5 H10 73.7 . . . no
C5 H5 C6 117.5 4_554 4_554 4_554 no
C5 H5 C11 71.1 4_554 4_554 4_554 no
C5 H5 H1 154.0 4_554 4_554 4_554 no
C5 H5 H1 45.1 4_554 4_554 4_554 no
C5 H5 H2 11.9 4_554 4_554 4_554 no
C5 H5 H3 15.2 4_554 4_554 4_554 no
C5 H5 H4 80.4 4_554 4_554 4_554 no
C5 H5 H5 130.7 4_554 4_554 4_554 no
C5 H5 H8 78.9 4_554 4_554 4_554 no
C5 H5 H8 54.4 4_554 4_554 4_554 no
C5 H5 H9 82.9 4_554 4_554 4_554 no
C5 H5 H10 88.7 4_554 4_554 4_554 no
C5 H5 H10 90.2 4_554 4_554 4_554 no
C6 H5 C11 94.1 . . . no
C6 H5 H1 76.5 . . . no
C6 H5 H1 102.1 . . . no
C6 H5 H2 127.2 . . . no
C6 H5 H3 110.0 . . . no
C6 H5 H4 37.2 . . . no
C6 H5 H5 31.6 . . . no
C6 H5 H8 77.1 . . . no
C6 H5 H8 102.4 . . . no
C6 H5 H9 99.9 . . . no
C6 H5 H10 43.4 . . . no
C6 H5 H10 136.8 . . . no
C11 H5 H1 132.4 2_455 2_455 2_455 no
C11 H5 H1 114.5 2_455 2_455 2_455 no
C11 H5 H2 78.6 2_455 2_455 2_455 no
C11 H5 H3 57.1 2_455 2_455 2_455 no
C11 H5 H4 78.3 2_455 2_455 2_455 no
C11 H5 H5 75.4 2_455 2_455 2_455 no
C11 H5 H8 17.0 2_455 2_455 2_455 no
C11 H5 H8 16.7 2_455 2_455 2_455 no
C11 H5 H9 17.3 2_455 2_455 2_455 no
C11 H5 H10 116.4 2_455 2_455 2_455 no
C11 H5 H10 127.5 2_455 2_455 2_455 no
H1 H5 H1 113.1 . . . no
H1 H5 H2 143.3 . . . no
H1 H5 H3 169.2 . . . no
H1 H5 H4 112.1 . . . no
H1 H5 H5 73.0 . . . no
H1 H5 H8 126.9 . . . no
H1 H5 H8 148.2 . . . no
H1 H5 H9 117.7 . . . no
H1 H5 H10 88.5 . . . no
H1 H5 H10 66.9 . . . no
H1 H5 H2 41.9 4_554 4_554 4_554 no
H1 H5 H3 57.7 4_554 4_554 4_554 no
H1 H5 H4 78.4 4_554 4_554 4_554 no
H1 H5 H5 133.0 4_554 4_554 4_554 no
H1 H5 H8 117.1 4_554 4_554 4_554 no
H1 H5 H8 98.4 4_554 4_554 4_554 no
H1 H5 H9 128.0 4_554 4_554 4_554 no
H1 H5 H10 59.2 4_554 4_554 4_554 no
H1 H5 H10 73.4 4_554 4_554 4_554 no
H2 H5 H3 26.0 4_554 4_554 4_554 no
H2 H5 H4 90.9 4_554 4_554 4_554 no
H2 H5 H5 142.6 4_554 4_554 4_554 no
H2 H5 H8 88.4 4_554 4_554 4_554 no
H2 H5 H8 62.0 4_554 4_554 4_554 no
H2 H5 H9 88.0 4_554 4_554 4_554 no
H2 H5 H10 93.5 4_554 4_554 4_554 no
H2 H5 H10 78.4 4_554 4_554 4_554 no
H3 H5 H4 73.1 4_554 4_554 4_554 no
H3 H5 H5 117.1 4_554 4_554 4_554 no
H3 H5 H8 63.8 4_554 4_554 4_554 no
H3 H5 H8 40.7 4_554 4_554 4_554 no
H3 H5 H9 70.5 4_554 4_554 4_554 no
H3 H5 H10 90.7 4_554 4_554 4_554 no
H3 H5 H10 103.4 4_554 4_554 4_554 no
H4 H5 H5 58.0 . . . no
H4 H5 H8 64.0 . . . no
H4 H5 H8 77.9 . . . no
H4 H5 H9 92.5 . . . no
H4 H5 H10 38.4 . . . no
H4 H5 H10 148.0 . . . no
H5 H5 H8 60.7 7 7 7 no
H5 H5 H8 89.4 7 7 7 no
H5 H5 H9 74.6 7 7 7 no
H5 H5 H10 75.0 7 7 7 no
H5 H5 H10 139.0 7 7 7 no
H8 H5 H8 28.7 2_455 2_455 2_455 no
H8 H5 H9 28.5 2_455 2_455 2_455 no
H8 H5 H10 102.3 2_455 2_455 2_455 no
H8 H5 H10 144.1 2_455 2_455 2_455 no
H8 H5 H9 30.5 8_455 8_455 8_455 no
H8 H5 H10 112.8 8_455 8_455 8_455 no
H8 H5 H10 120.9 8_455 8_455 8_455 no
H9 H5 H10 130.8 2_455 2_455 2_455 no
H9 H5 H10 116.8 2_455 2_455 2_455 no
H10 H5 H10 111.6 . . . no
O1 H6 O2 97.7 . . . no
O1 H6 O3 68.2 . . . no
O1 H6 N1 41.6 . . . no
O1 H6 N3 79.1 . . . no
O1 H6 C1 20.8 . . . no
O1 H6 C4 63.1 . . . no
O1 H6 C5 85.1 . . . no
O1 H6 C7 51.4 . . . no
O1 H6 C8 74.0 . . . no
O1 H6 C8 60.0 . . . no
O1 H6 C8 129.4 . . . no
O1 H6 C9 101.1 . . . no
O1 H6 C9 75.2 . . . no
O1 H6 C9 137.2 . . . no
O1 H6 C10 91.2 . . . no
O1 H6 C11 66.3 . . . no
O1 H6 H3 98.5 . . . no
O1 H6 H3 83.3 . . . no
O1 H6 H6 54.9 . . . no
O1 H6 H6 125.1 . . . no
O1 H6 H7 118.2 . . . no
O1 H6 H7 138.1 . . . no
O1 H6 H9 68.4 . . . no
O2 H6 O3 42.8 . . . no
O2 H6 N1 78.5 . . . no
O2 H6 N3 22.2 . . . no
O2 H6 C1 81.3 . . . no
O2 H6 C4 61.4 . . . no
O2 H6 C5 64.2 . . . no
O2 H6 C7 109.1 . . . no
O2 H6 C8 139.0 . . . no
O2 H6 C8 121.7 . . . no
O2 H6 C8 73.0 . . . no
O2 H6 C9 154.9 . . . no
O2 H6 C9 139.8 . . . no
O2 H6 C9 92.3 . . . no
O2 H6 C10 153.1 . . . no
O2 H6 C11 109.7 . . . no
O2 H6 H3 60.8 . . . no
O2 H6 H3 78.0 . . . no
O2 H6 H6 114.3 . . . no
O2 H6 H6 65.7 . . . no
O2 H6 H7 144.0 . . . no
O2 H6 H7 105.1 . . . no
O2 H6 H9 102.4 . . . no
O3 H6 N1 76.7 . . . no
O3 H6 N3 21.6 . . . no
O3 H6 C1 62.6 . . . no
O3 H6 C4 75.2 . . . no
O3 H6 C5 92.6 . . . no
O3 H6 C7 108.8 . . . no
O3 H6 C8 141.1 . . . no
O3 H6 C8 122.4 . . . no
O3 H6 C8 73.0 . . . no
O3 H6 C9 162.1 . . . no
O3 H6 C9 142.4 . . . no
O3 H6 C9 93.4 . . . no
O3 H6 C10 158.5 . . . no
O3 H6 C11 69.7 . . . no
O3 H6 H3 96.0 . . . no
O3 H6 H3 104.4 . . . no
O3 H6 H6 114.6 . . . no
O3 H6 H6 65.4 . . . no
O3 H6 H7 149.1 . . . no
O3 H6 H7 106.9 . . . no
O3 H6 H9 63.3 . . . no
N1 H6 N3 72.0 . . . no
N1 H6 C1 24.0 . . . no
N1 H6 C4 23.0 . . . no
N1 H6 C5 43.5 . . . no
N1 H6 C7 33.8 . . . no
N1 H6 C8 68.8 . . . no
N1 H6 C8 48.2 . . . no
N1 H6 C8 148.3 . . . no
N1 H6 C9 105.3 . . . no
N1 H6 C9 70.2 . . . no
N1 H6 C9 169.7 . . . no
N1 H6 C10 92.0 . . . no
N1 H6 C11 107.4 . . . no
N1 H6 H3 57.0 . . . no
N1 H6 H3 43.3 . . . no
N1 H6 H6 39.8 . . . no
N1 H6 H6 140.2 . . . no
N1 H6 H7 129.6 . . . no
N1 H6 H7 176.1 . . . no
N1 H6 H9 108.4 . . . no
N3 H6 C1 66.5 . . . no
N3 H6 C4 62.5 . . . no
N3 H6 C5 74.7 . . . no
N3 H6 C7 105.7 . . . no
N3 H6 C8 140.7 . . . no
N3 H6 C8 120.0 . . . no
N3 H6 C8 76.4 . . . no
N3 H6 C9 175.7 . . . no
N3 H6 C9 142.0 . . . no
N3 H6 C9 97.8 . . . no
N3 H6 C10 163.6 . . . no
N3 H6 C11 91.1 . . . no
N3 H6 H3 75.8 . . . no
N3 H6 H3 87.8 . . . no
N3 H6 H6 111.7 . . . no
N3 H6 H6 68.3 . . . no
N3 H6 H7 158.3 . . . no
N3 H6 H7 112.0 . . . no
N3 H6 H9 84.4 . . . no
C1 H6 C4 43.1 . . . no
C1 H6 C5 66.4 . . . no
C1 H6 C7 47.3 . . . no
C1 H6 C8 78.8 . . . no
C1 H6 C8 60.0 . . . no
C1 H6 C8 134.3 . . . no
C1 H6 C9 112.4 . . . no
C1 H6 C9 80.1 . . . no
C1 H6 C9 150.6 . . . no
C1 H6 C10 100.1 . . . no
C1 H6 C11 84.0 . . . no
C1 H6 H3 79.4 . . . no
C1 H6 H3 67.3 . . . no
C1 H6 H6 52.6 . . . no
C1 H6 H6 127.4 . . . no
C1 H6 H7 133.9 . . . no
C1 H6 H7 156.9 . . . no
C1 H6 H9 84.5 . . . no
C4 H6 C5 24.3 . . . no
C4 H6 C7 47.7 . . . no
C4 H6 C8 79.8 . . . no
C4 H6 C8 60.6 . . . no
C4 H6 C8 134.3 . . . no
C4 H6 C9 113.7 . . . no
C4 H6 C9 80.9 . . . no
C4 H6 C9 151.4 . . . no
C4 H6 C10 101.4 . . . no
C4 H6 C11 126.0 . . . no
C4 H6 H3 36.6 . . . no
C4 H6 H3 30.8 . . . no
C4 H6 H6 53.0 . . . no
C4 H6 H6 127.0 . . . no
C4 H6 H7 135.5 . . . no
C4 H6 H7 158.6 . . . no
C4 H6 H9 124.8 . . . no
C5 H6 C7 53.0 . . . no
C5 H6 C8 74.9 . . . no
C5 H6 C8 61.0 . . . no
C5 H6 C8 128.4 . . . no
C5 H6 C9 101.0 . . . no
C5 H6 C9 75.7 . . . no
C5 H6 C9 135.8 . . . no
C5 H6 C10 91.5 . . . no
C5 H6 C11 150.2 . . . no
C5 H6 H3 13.5 . . . no
C5 H6 H3 13.8 . . . no
C5 H6 H6 56.0 . . . no
C5 H6 H6 124.0 . . . no
C5 H6 H7 117.5 . . . no
C5 H6 H7 136.5 . . . no
C5 H6 H9 149.0 . . . no
C7 H6 C8 35.1 . . . no
C7 H6 C8 14.4 . . . no
C7 H6 C8 177.9 . . . no
C7 H6 C9 71.5 . . . no
C7 H6 C9 36.4 . . . no
C7 H6 C9 156.5 . . . no
C7 H6 C10 58.2 . . . no
C7 H6 C11 108.9 . . . no
C7 H6 H3 64.1 . . . no
C7 H6 H3 42.7 . . . no
C7 H6 H6 6.0 . . . no
C7 H6 H6 174.0 . . . no
C7 H6 H7 95.8 . . . no
C7 H6 H7 142.3 . . . no
C7 H6 H9 114.1 . . . no
C8 H6 C8 20.7 . . . no
C8 H6 C8 142.9 . . . no
C8 H6 C9 36.4 . . . no
C8 H6 C9 1.4 . . . no
C8 H6 C9 121.4 . . . no
C8 H6 C10 23.1 . . . no
C8 H6 C11 103.4 . . . no
C8 H6 H3 80.4 . . . no
C8 H6 H3 61.3 . . . no
C8 H6 H6 29.0 . . . no
C8 H6 H6 151.0 . . . no
C8 H6 H7 60.7 . . . no
C8 H6 H7 107.2 . . . no
C8 H6 H9 110.9 . . . no
C8 H6 C8 163.5 7 7 7 no
C8 H6 C9 57.1 7 7 7 no
C8 H6 C9 22.0 7 7 7 no
C8 H6 C9 142.1 7 7 7 no
C8 H6 C10 43.8 7 7 7 no
C8 H6 C11 107.6 7 7 7 no
C8 H6 H3 69.9 7 7 7 no
C8 H6 H3 48.5 7 7 7 no
C8 H6 H6 8.3 7 7 7 no
C8 H6 H6 171.7 7 7 7 no
C8 H6 H7 81.4 7 7 7 no
C8 H6 H7 127.9 7 7 7 no
C8 H6 H9 114.1 7 7 7 no
C8 H6 C9 106.4 7_545 7_545 7_545 no
C8 H6 C9 141.5 7_545 7_545 7_545 no
C8 H6 C9 21.4 7_545 7_545 7_545 no
C8 H6 C10 119.7 7_545 7_545 7_545 no
C8 H6 C11 70.6 7_545 7_545 7_545 no
C8 H6 H3 116.9 7_545 7_545 7_545 no
C8 H6 H3 138.3 7_545 7_545 7_545 no
C8 H6 H6 171.9 7_545 7_545 7_545 no
C8 H6 H6 8.1 7_545 7_545 7_545 no
C8 H6 H7 82.1 7_545 7_545 7_545 no
C8 H6 H7 35.6 7_545 7_545 7_545 no
C8 H6 H9 65.7 7_545 7_545 7_545 no
C9 H6 C9 35.1 . . . no
C9 H6 C9 85.0 . . . no
C9 H6 C10 13.3 . . . no
C9 H6 C11 93.0 . . . no
C9 H6 H3 99.9 . . . no
C9 H6 H3 88.0 . . . no
C9 H6 H6 65.5 . . . no
C9 H6 H6 114.5 . . . no
C9 H6 H7 24.3 . . . no
C9 H6 H7 70.8 . . . no
C9 H6 H9 99.8 . . . no
C9 H6 C9 120.1 7 7 7 no
C9 H6 C10 21.8 7 7 7 no
C9 H6 C11 103.4 7 7 7 no
C9 H6 H3 80.8 7 7 7 no
C9 H6 H3 62.0 7 7 7 no
C9 H6 H6 30.4 7 7 7 no
C9 H6 H6 149.6 7 7 7 no
C9 H6 H7 59.4 7 7 7 no
C9 H6 H7 105.9 7 7 7 no
C9 H6 H9 110.9 7 7 7 no
C9 H6 C10 98.3 7_545 7_545 7_545 no
C9 H6 C11 71.2 7_545 7_545 7_545 no
C9 H6 H3 122.3 7_545 7_545 7_545 no
C9 H6 H3 139.5 7_545 7_545 7_545 no
C9 H6 H6 150.4 7_545 7_545 7_545 no
C9 H6 H6 29.6 7_545 7_545 7_545 no
C9 H6 H7 60.7 7_545 7_545 7_545 no
C9 H6 H7 14.2 7_545 7_545 7_545 no
C9 H6 H9 68.8 7_545 7_545 7_545 no
C10 H6 C11 97.1 . . . no
C10 H6 H3 92.8 . . . no
C10 H6 H3 77.9 . . . no
C10 H6 H6 52.1 . . . no
C10 H6 H6 127.9 . . . no
C10 H6 H7 37.6 . . . no
C10 H6 H7 84.1 . . . no
C10 H6 H9 104.5 . . . no
C11 H6 H3 161.9 3_645 3_645 3_645 no
C11 H6 H3 149.1 3_645 3_645 3_645 no
C11 H6 H6 108.7 3_645 3_645 3_645 no
C11 H6 H6 71.3 3_645 3_645 3_645 no
C11 H6 H7 85.0 3_645 3_645 3_645 no
C11 H6 H7 73.0 3_645 3_645 3_645 no
C11 H6 H9 7.5 3_645 3_645 3_645 no
H3 H6 H3 21.6 . . . no
H3 H6 H6 66.2 . . . no
H3 H6 H6 113.8 . . . no
H3 H6 H7 111.7 . . . no
H3 H6 H7 123.3 . . . no
H3 H6 H9 158.2 . . . no
H3 H6 H6 44.6 7 7 7 no
H3 H6 H6 135.4 7 7 7 no
H3 H6 H7 106.4 7 7 7 no
H3 H6 H7 135.4 7 7 7 no
H3 H6 H9 151.5 7 7 7 no
H6 H6 H6 180.0 7 7 7 no
H6 H6 H7 89.7 7 7 7 no
H6 H6 H7 136.2 7 7 7 no
H6 H6 H9 114.5 7 7 7 no
H6 H6 H7 90.3 7_545 7_545 7_545 no
H6 H6 H7 43.8 7_545 7_545 7_545 no
H6 H6 H9 65.5 7_545 7_545 7_545 no
H7 H6 H7 46.5 . . . no
H7 H6 H9 90.0 . . . no
H7 H6 H9 72.5 7_545 7_545 7_545 no
C5 H7 C7 143.9 3_646 3_646 3_646 no
C5 H7 C8 147.1 3_646 3_646 3_646 no
C5 H7 C8 131.9 3_646 3_646 3_646 no
C5 H7 C8 96.3 3_646 3_646 3_646 no
C5 H7 C8 99.4 3_646 3_646 3_646 no
C5 H7 C9 131.3 3_646 3_646 3_646 no
C5 H7 C9 115.4 3_646 3_646 3_646 no
C5 H7 C9 78.4 3_646 3_646 3_646 no
C5 H7 C9 118.9 3_646 3_646 3_646 no
C5 H7 C10 102.7 3_646 3_646 3_646 no
C5 H7 C10 120.4 3_646 3_646 3_646 no
C5 H7 C11 73.7 3_646 3_646 3_646 no
C5 H7 H3 14.4 3_646 3_646 3_646 no
C5 H7 H3 11.7 3_646 3_646 3_646 no
C5 H7 H6 140.8 3_646 3_646 3_646 no
C5 H7 H6 108.0 3_646 3_646 3_646 no
C5 H7 H7 108.4 3_646 3_646 3_646 no
C5 H7 H7 71.6 3_646 3_646 3_646 no
C5 H7 H7 130.2 3_646 3_646 3_646 no
C5 H7 H8 52.7 3_646 3_646 3_646 no
C5 H7 H8 73.6 3_646 3_646 3_646 no
C5 H7 H9 80.2 3_646 3_646 3_646 no
C5 H7 H9 140.1 3_646 3_646 3_646 no
C7 H7 C8 14.2 . . . no
C7 H7 C8 21.4 . . . no
C7 H7 C8 98.5 . . . no
C7 H7 C8 109.7 . . . no
C7 H7 C9 22.3 . . . no
C7 H7 C9 43.3 . . . no
C7 H7 C9 119.9 . . . no
C7 H7 C9 93.7 . . . no
C7 H7 C10 59.1 . . . no
C7 H7 C10 95.7 . . . no
C7 H7 C11 93.5 . . . no
C7 H7 H3 147.3 . . . no
C7 H7 H3 133.1 . . . no
C7 H7 H6 38.4 . . . no
C7 H7 H6 84.4 . . . no
C7 H7 H7 51.9 . . . no
C7 H7 H7 128.1 . . . no
C7 H7 H7 79.5 . . . no
C7 H7 H8 111.3 . . . no
C7 H7 H8 88.8 . . . no
C7 H7 H9 98.0 . . . no
C7 H7 H9 73.2 . . . no
C8 H7 C8 35.6 . . . no
C8 H7 C8 84.3 . . . no
C8 H7 C8 112.8 . . . no
C8 H7 C9 36.5 . . . no
C8 H7 C9 57.5 . . . no
C8 H7 C9 105.7 . . . no
C8 H7 C9 94.0 . . . no
C8 H7 C10 73.3 . . . no
C8 H7 C10 90.8 . . . no
C8 H7 C11 107.7 . . . no
C8 H7 H3 144.3 . . . no
C8 H7 H3 138.7 . . . no
C8 H7 H6 24.2 . . . no
C8 H7 H6 70.2 . . . no
C8 H7 H7 66.1 . . . no
C8 H7 H7 113.9 . . . no
C8 H7 H7 81.7 . . . no
C8 H7 H8 125.2 . . . no
C8 H7 H8 102.8 . . . no
C8 H7 H9 111.5 . . . no
C8 H7 H9 64.1 . . . no
C8 H7 C8 119.8 7 7 7 no
C8 H7 C8 102.9 7 7 7 no
C8 H7 C9 0.9 7 7 7 no
C8 H7 C9 22.0 7 7 7 no
C8 H7 C9 141.3 7 7 7 no
C8 H7 C9 92.9 7 7 7 no
C8 H7 C10 37.7 7 7 7 no
C8 H7 C10 102.3 7 7 7 no
C8 H7 C11 72.2 7 7 7 no
C8 H7 H3 142.2 7 7 7 no
C8 H7 H3 120.2 7 7 7 no
C8 H7 H6 59.8 7 7 7 no
C8 H7 H6 105.7 7 7 7 no
C8 H7 H7 30.5 7 7 7 no
C8 H7 H7 149.5 7 7 7 no
C8 H7 H7 77.6 7 7 7 no
C8 H7 H8 90.3 7 7 7 no
C8 H7 H8 67.6 7 7 7 no
C8 H7 H9 77.6 7 7 7 no
C8 H7 H9 88.0 7 7 7 no
C8 H7 C8 101.2 7_545 7_545 7_545 no
C8 H7 C9 120.7 7_545 7_545 7_545 no
C8 H7 C9 141.8 7_545 7_545 7_545 no
C8 H7 C9 21.4 7_545 7_545 7_545 no
C8 H7 C9 91.1 7_545 7_545 7_545 no
C8 H7 C10 157.5 7_545 7_545 7_545 no
C8 H7 C10 69.9 7_545 7_545 7_545 no
C8 H7 C11 168.0 7_545 7_545 7_545 no
C8 H7 H3 81.9 7_545 7_545 7_545 no
C8 H7 H3 105.2 7_545 7_545 7_545 no
C8 H7 H6 60.1 7_545 7_545 7_545 no
C8 H7 H6 14.1 7_545 7_545 7_545 no
C8 H7 H7 150.3 7_545 7_545 7_545 no
C8 H7 H7 29.7 7_545 7_545 7_545 no
C8 H7 H7 98.8 7_545 7_545 7_545 no
C8 H7 H8 148.2 7_545 7_545 7_545 no
C8 H7 H8 169.6 7_545 7_545 7_545 no
C8 H7 H9 156.1 7_545 7_545 7_545 no
C8 H7 H9 53.6 7_545 7_545 7_545 no
C8 H7 C9 102.6 5_655 5_655 5_655 no
C8 H7 C9 94.3 5_655 5_655 5_655 no
C8 H7 C9 92.6 5_655 5_655 5_655 no
C8 H7 C9 20.8 5_655 5_655 5_655 no
C8 H7 C10 87.5 5_655 5_655 5_655 no
C8 H7 C10 36.6 5_655 5_655 5_655 no
C8 H7 C11 74.5 5_655 5_655 5_655 no
C8 H7 H3 102.2 5_655 5_655 5_655 no
C8 H7 H3 104.7 5_655 5_655 5_655 no
C8 H7 H6 114.8 5_655 5_655 5_655 no
C8 H7 H6 106.3 5_655 5_655 5_655 no
C8 H7 H7 90.8 5_655 5_655 5_655 no
C8 H7 H7 89.2 5_655 5_655 5_655 no
C8 H7 H7 31.1 5_655 5_655 5_655 no
C8 H7 H8 79.7 5_655 5_655 5_655 no
C8 H7 H8 83.2 5_655 5_655 5_655 no
C8 H7 H9 56.7 5_655 5_655 5_655 no
C8 H7 H9 67.1 5_655 5_655 5_655 no
C9 H7 C9 21.0 . . . no
C9 H7 C9 142.2 . . . no
C9 H7 C9 92.8 . . . no
C9 H7 C10 36.8 . . . no
C9 H7 C10 102.6 . . . no
C9 H7 C11 71.2 . . . no
C9 H7 H3 141.8 . . . no
C9 H7 H3 119.6 . . . no
C9 H7 H6 60.7 . . . no
C9 H7 H6 106.7 . . . no
C9 H7 H7 29.6 . . . no
C9 H7 H7 150.4 . . . no
C9 H7 H7 77.5 . . . no
C9 H7 H8 89.4 . . . no
C9 H7 H8 66.7 . . . no
C9 H7 H9 76.7 . . . no
C9 H7 H9 88.6 . . . no
C9 H7 C9 163.2 7 7 7 no
C9 H7 C9 91.6 7 7 7 no
C9 H7 C10 15.8 7 7 7 no
C9 H7 C10 107.5 7 7 7 no
C9 H7 C11 50.2 7 7 7 no
C9 H7 H3 128.6 7 7 7 no
C9 H7 H3 104.2 7 7 7 no
C9 H7 H6 81.7 7 7 7 no
C9 H7 H6 127.7 7 7 7 no
C9 H7 H7 8.6 7 7 7 no
C9 H7 H7 171.4 7 7 7 no
C9 H7 H7 77.3 7 7 7 no
C9 H7 H8 68.8 7 7 7 no
C9 H7 H8 45.9 7 7 7 no
C9 H7 H9 56.8 7 7 7 no
C9 H7 H9 103.3 7 7 7 no
C9 H7 C9 89.5 7_545 7_545 7_545 no
C9 H7 C10 178.9 7_545 7_545 7_545 no
C9 H7 C10 70.2 7_545 7_545 7_545 no
C9 H7 C11 146.6 7_545 7_545 7_545 no
C9 H7 H3 64.3 7_545 7_545 7_545 no
C9 H7 H3 88.7 7_545 7_545 7_545 no
C9 H7 H6 81.5 7_545 7_545 7_545 no
C9 H7 H6 35.5 7_545 7_545 7_545 no
C9 H7 H7 171.8 7_545 7_545 7_545 no
C9 H7 H7 8.2 7_545 7_545 7_545 no
C9 H7 H7 101.6 7_545 7_545 7_545 no
C9 H7 H8 127.6 7_545 7_545 7_545 no
C9 H7 H8 150.5 7_545 7_545 7_545 no
C9 H7 H9 138.6 7_545 7_545 7_545 no
C9 H7 H9 65.6 7_545 7_545 7_545 no
C9 H7 C10 90.2 5_655 5_655 5_655 no
C9 H7 C10 21.2 5_655 5_655 5_655 no
C9 H7 C11 88.2 5_655 5_655 5_655 no
C9 H7 H3 119.0 5_655 5_655 5_655 no
C9 H7 H3 125.2 5_655 5_655 5_655 no
C9 H7 H6 94.1 5_655 5_655 5_655 no
C9 H7 H6 92.1 5_655 5_655 5_655 no
C9 H7 H7 91.0 5_655 5_655 5_655 no
C9 H7 H7 89.0 5_655 5_655 5_655 no
C9 H7 H7 15.3 5_655 5_655 5_655 no
C9 H7 H8 97.9 5_655 5_655 5_655 no
C9 H7 H8 95.9 5_655 5_655 5_655 no
C9 H7 H9 70.7 5_655 5_655 5_655 no
C9 H7 H9 47.8 5_655 5_655 5_655 no
C10 H7 C10 109.4 . . . no
C10 H7 C11 34.5 . . . no
C10 H7 H3 116.8 . . . no
C10 H7 H3 92.3 . . . no
C10 H7 H6 97.5 . . . no
C10 H7 H6 143.4 . . . no
C10 H7 H7 7.2 . . . no
C10 H7 H7 172.8 . . . no
C10 H7 H7 78.0 . . . no
C10 H7 H8 53.5 . . . no
C10 H7 H8 30.6 . . . no
C10 H7 H9 42.2 . . . no
C10 H7 H9 113.5 . . . no
C10 H7 C11 109.1 3_645 3_645 3_645 no
C10 H7 H3 114.7 3_645 3_645 3_645 no
C10 H7 H3 130.3 3_645 3_645 3_645 no
C10 H7 H6 82.7 3_645 3_645 3_645 no
C10 H7 H6 71.3 3_645 3_645 3_645 no
C10 H7 H7 108.9 3_645 3_645 3_645 no
C10 H7 H7 71.1 3_645 3_645 3_645 no
C10 H7 H7 31.4 3_645 3_645 3_645 no
C10 H7 H8 116.3 3_645 3_645 3_645 no
C10 H7 H8 117.1 3_645 3_645 3_645 no
C10 H7 H9 91.3 3_645 3_645 3_645 no
C10 H7 H9 31.6 3_645 3_645 3_645 no
C11 H7 H3 88.0 . . . no
C11 H7 H3 66.0 . . . no
C11 H7 H6 131.9 . . . no
C11 H7 H6 177.9 . . . no
C11 H7 H7 41.6 . . . no
C11 H7 H7 138.4 . . . no
C11 H7 H7 83.3 . . . no
C11 H7 H8 21.0 . . . no
C11 H7 H8 8.9 . . . no
C11 H7 H9 17.9 . . . no
C11 H7 H9 131.2 . . . no
H3 H7 H3 24.5 3_646 3_646 3_646 no
H3 H7 H6 130.4 3_646 3_646 3_646 no
H3 H7 H6 93.7 3_646 3_646 3_646 no
H3 H7 H7 122.2 3_646 3_646 3_646 no
H3 H7 H7 57.8 3_646 3_646 3_646 no
H3 H7 H7 132.9 3_646 3_646 3_646 no
H3 H7 H8 67.0 3_646 3_646 3_646 no
H3 H7 H8 88.0 3_646 3_646 3_646 no
H3 H7 H9 93.4 3_646 3_646 3_646 no
H3 H7 H9 128.0 3_646 3_646 3_646 no
H3 H7 H6 139.5 5_656 5_656 5_656 no
H3 H7 H6 115.5 5_656 5_656 5_656 no
H3 H7 H7 97.7 5_656 5_656 5_656 no
H3 H7 H7 82.3 5_656 5_656 5_656 no
H3 H7 H7 133.9 5_656 5_656 5_656 no
H3 H7 H8 45.6 5_656 5_656 5_656 no
H3 H7 H8 64.5 5_656 5_656 5_656 no
H3 H7 H9 75.3 5_656 5_656 5_656 no
H3 H7 H9 151.8 5_656 5_656 5_656 no
H6 H7 H6 46.0 . . . no
H6 H7 H7 90.3 . . . no
H6 H7 H7 89.7 . . . no
H6 H7 H7 86.6 . . . no
H6 H7 H8 148.3 . . . no
H6 H7 H8 126.7 . . . no
H6 H7 H9 134.1 . . . no
H6 H7 H9 51.5 . . . no
H6 H7 H7 136.2 7_545 7_545 7_545 no
H6 H7 H7 43.8 7_545 7_545 7_545 no
H6 H7 H7 96.4 7_545 7_545 7_545 no
H6 H7 H8 160.7 7_545 7_545 7_545 no
H6 H7 H8 169.8 7_545 7_545 7_545 no
H6 H7 H9 162.7 7_545 7_545 7_545 no
H6 H7 H9 48.2 7_545 7_545 7_545 no
H7 H7 H7 180.0 7 7 7 no
H7 H7 H7 77.8 7 7 7 no
H7 H7 H8 60.4 7 7 7 no
H7 H7 H8 37.5 7 7 7 no
H7 H7 H9 48.9 7 7 7 no
H7 H7 H9 109.1 7 7 7 no
H7 H7 H7 102.2 7_545 7_545 7_545 no
H7 H7 H8 119.6 7_545 7_545 7_545 no
H7 H7 H8 142.5 7_545 7_545 7_545 no
H7 H7 H9 131.1 7_545 7_545 7_545 no
H7 H7 H9 70.9 7_545 7_545 7_545 no
H7 H7 H8 97.5 5_655 5_655 5_655 no
H7 H7 H8 89.8 5_655 5_655 5_655 no
H7 H7 H9 67.4 5_655 5_655 5_655 no
H7 H7 H9 48.5 5_655 5_655 5_655 no
H8 H7 H8 22.9 . . . no
H8 H7 H9 30.9 . . . no
H8 H7 H9 145.4 . . . no
H8 H7 H9 26.5 7 7 7 no
H8 H7 H9 136.3 7 7 7 no
H9 H7 H9 115.9 . . . no
O1 H8 O2 110.4 3_645 3_645 3_645 no
O1 H8 C5 63.4 3_645 3_645 3_645 no
O1 H8 C6 72.4 3_645 3_645 3_645 no
O1 H8 C8 111.2 3_645 3_645 3_645 no
O1 H8 C9 106.9 3_645 3_645 3_645 no
O1 H8 C9 138.2 3_645 3_645 3_645 no
O1 H8 C10 126.9 3_645 3_645 3_645 no
O1 H8 C11 120.4 3_645 3_645 3_645 no
O1 H8 H2 47.6 3_645 3_645 3_645 no
O1 H8 H3 61.9 3_645 3_645 3_645 no
O1 H8 H3 143.5 3_645 3_645 3_645 no
O1 H8 H3 75.7 3_645 3_645 3_645 no
O1 H8 H4 83.6 3_645 3_645 3_645 no
O1 H8 H5 82.0 3_645 3_645 3_645 no
O1 H8 H5 55.4 3_645 3_645 3_645 no
O1 H8 H7 88.5 3_645 3_645 3_645 no
O1 H8 H7 142.6 3_645 3_645 3_645 no
O1 H8 H8 135.5 3_645 3_645 3_645 no
O1 H8 H9 85.5 3_645 3_645 3_645 no
O2 H8 C5 65.7 3_656 3_656 3_656 no
O2 H8 C6 58.3 3_656 3_656 3_656 no
O2 H8 C8 126.6 3_656 3_656 3_656 no
O2 H8 C9 130.6 3_656 3_656 3_656 no
O2 H8 C9 111.2 3_656 3_656 3_656 no
O2 H8 C10 122.5 3_656 3_656 3_656 no
O2 H8 C11 111.7 3_656 3_656 3_656 no
O2 H8 H2 71.5 3_656 3_656 3_656 no
O2 H8 H3 77.7 3_656 3_656 3_656 no
O2 H8 H3 51.1 3_656 3_656 3_656 no
O2 H8 H3 60.6 3_656 3_656 3_656 no
O2 H8 H4 40.8 3_656 3_656 3_656 no
O2 H8 H5 65.0 3_656 3_656 3_656 no
O2 H8 H5 69.4 3_656 3_656 3_656 no
O2 H8 H7 133.0 3_656 3_656 3_656 no
O2 H8 H7 102.3 3_656 3_656 3_656 no
O2 H8 H8 76.6 3_656 3_656 3_656 no
O2 H8 H9 127.6 3_656 3_656 3_656 no
C5 H8 C6 84.5 3_646 3_646 3_646 no
C5 H8 C8 106.3 3_646 3_646 3_646 no
C5 H8 C9 105.8 3_646 3_646 3_646 no
C5 H8 C9 141.7 3_646 3_646 3_646 no
C5 H8 C10 133.9 3_646 3_646 3_646 no
C5 H8 C11 176.2 3_646 3_646 3_646 no
C5 H8 H2 17.9 3_646 3_646 3_646 no
C5 H8 H3 13.8 3_646 3_646 3_646 no
C5 H8 H3 116.1 3_646 3_646 3_646 no
C5 H8 H3 12.6 3_646 3_646 3_646 no
C5 H8 H4 77.1 3_646 3_646 3_646 no
C5 H8 H5 101.4 3_646 3_646 3_646 no
C5 H8 H5 76.9 3_646 3_646 3_646 no
C5 H8 H7 87.9 3_646 3_646 3_646 no
C5 H8 H7 151.1 3_646 3_646 3_646 no
C5 H8 H8 142.3 3_646 3_646 3_646 no
C5 H8 H9 148.7 3_646 3_646 3_646 no
C6 H8 C8 169.1 2 2 2 no
C6 H8 C9 168.4 2 2 2 no
C6 H8 C9 128.1 2 2 2 no
C6 H8 C10 140.7 2 2 2 no
C6 H8 C11 96.5 2 2 2 no
C6 H8 H2 72.7 2 2 2 no
C6 H8 H3 96.8 2 2 2 no
C6 H8 H3 71.3 2 2 2 no
C6 H8 H3 91.0 2 2 2 no
C6 H8 H4 17.5 2 2 2 no
C6 H8 H5 17.0 2 2 2 no
C6 H8 H5 17.0 2 2 2 no
C6 H8 H7 160.9 2 2 2 no
C6 H8 H7 112.4 2 2 2 no
C6 H8 H8 75.8 2 2 2 no
C6 H8 H9 82.4 2 2 2 no
C8 H8 C9 4.4 . . . no
C8 H8 C9 42.4 . . . no
C8 H8 C10 29.0 . . . no
C8 H8 C11 72.8 . . . no
C8 H8 H2 117.5 . . . no
C8 H8 H3 93.8 . . . no
C8 H8 H3 103.9 . . . no
C8 H8 H3 99.8 . . . no
C8 H8 H4 164.9 . . . no
C8 H8 H5 152.3 . . . no
C8 H8 H5 163.8 . . . no
C8 H8 H7 24.7 . . . no
C8 H8 H7 58.2 . . . no
C8 H8 H8 95.5 . . . no
C8 H8 H9 87.7 . . . no
C9 H8 C9 45.0 . . . no
C9 H8 C10 31.0 . . . no
C9 H8 C11 73.7 . . . no
C9 H8 H2 115.8 . . . no
C9 H8 H3 92.9 . . . no
C9 H8 H3 107.8 . . . no
C9 H8 H3 100.1 . . . no
C9 H8 H4 169.4 . . . no
C9 H8 H5 152.6 . . . no
C9 H8 H5 159.5 . . . no
C9 H8 H7 21.5 . . . no
C9 H8 H7 60.7 . . . no
C9 H8 H8 98.2 . . . no
C9 H8 H9 86.0 . . . no
C9 H8 C10 14.7 7 7 7 no
C9 H8 C11 35.8 7 7 7 no
C9 H8 H2 157.9 7 7 7 no
C9 H8 H3 132.7 7 7 7 no
C9 H8 H3 67.1 7 7 7 no
C9 H8 H3 130.6 7 7 7 no
C9 H8 H4 127.2 7 7 7 no
C9 H8 H5 111.6 7 7 7 no
C9 H8 H5 140.0 7 7 7 no
C9 H8 H7 66.4 7 7 7 no
C9 H8 H7 15.8 7 7 7 no
C9 H8 H8 53.2 7 7 7 no
C9 H8 H9 65.6 7 7 7 no
C10 H8 C11 44.7 . . . no
C10 H8 H2 146.5 . . . no
C10 H8 H3 122.4 . . . no
C10 H8 H3 81.5 . . . no
C10 H8 H3 125.1 . . . no
C10 H8 H4 141.8 . . . no
C10 H8 H5 123.7 . . . no
C10 H8 H5 148.8 . . . no
C10 H8 H7 52.1 . . . no
C10 H8 H7 30.0 . . . no
C10 H8 H8 67.5 . . . no
C10 H8 H9 67.6 . . . no
C11 H8 H2 165.3 . . . no
C11 H8 H3 166.5 . . . no
C11 H8 H3 60.9 . . . no
C11 H8 H3 163.7 . . . no
C11 H8 H4 102.7 . . . no
C11 H8 H5 79.5 . . . no
C11 H8 H5 105.0 . . . no
C11 H8 H7 92.3 . . . no
C11 H8 H7 25.5 . . . no
C11 H8 H8 35.2 . . . no
C11 H8 H9 35.1 . . . no
H2 H8 H3 25.2 3_646 3_646 3_646 no
H2 H8 H3 122.1 3_646 3_646 3_646 no
H2 H8 H3 30.4 3_646 3_646 3_646 no
H2 H8 H4 69.9 3_646 3_646 3_646 no
H2 H8 H5 89.6 3_646 3_646 3_646 no
H2 H8 H5 62.0 3_646 3_646 3_646 no
H2 H8 H7 95.3 3_646 3_646 3_646 no
H2 H8 H7 168.9 3_646 3_646 3_646 no
H2 H8 H8 143.6 3_646 3_646 3_646 no
H2 H8 H9 131.3 3_646 3_646 3_646 no
H3 H8 H3 126.4 3_646 3_646 3_646 no
H3 H8 H3 17.9 3_646 3_646 3_646 no
H3 H8 H4 90.7 3_646 3_646 3_646 no
H3 H8 H5 113.8 3_646 3_646 3_646 no
H3 H8 H5 87.2 3_646 3_646 3_646 no
H3 H8 H7 74.3 3_646 3_646 3_646 no
H3 H8 H7 145.8 3_646 3_646 3_646 no
H3 H8 H8 153.3 3_646 3_646 3_646 no
H3 H8 H9 145.5 3_646 3_646 3_646 no
H3 H8 H3 108.5 3_656 3_656 3_656 no
H3 H8 H4 62.2 3_656 3_656 3_656 no
H3 H8 H5 61.9 3_656 3_656 3_656 no
H3 H8 H5 88.3 3_656 3_656 3_656 no
H3 H8 H7 127.7 3_656 3_656 3_656 no
H3 H8 H7 54.0 3_656 3_656 3_656 no
H3 H8 H8 26.9 3_656 3_656 3_656 no
H3 H8 H9 86.2 3_656 3_656 3_656 no
H3 H8 H4 80.6 5_656 5_656 5_656 no
H3 H8 H5 107.2 5_656 5_656 5_656 no
H3 H8 H5 86.1 5_656 5_656 5_656 no
H3 H8 H7 85.1 5_656 5_656 5_656 no
H3 H8 H7 138.6 5_656 5_656 5_656 no
H3 H8 H8 135.3 5_656 5_656 5_656 no
H3 H8 H9 161.1 5_656 5_656 5_656 no
H4 H8 H5 28.0 2 2 2 no
H4 H8 H5 30.7 2 2 2 no
H4 H8 H7 165.0 2 2 2 no
H4 H8 H7 111.8 2 2 2 no
H4 H8 H8 74.5 2 2 2 no
H4 H8 H9 96.7 2 2 2 no
H5 H8 H5 29.9 2 2 2 no
H5 H8 H7 161.9 2 2 2 no
H5 H8 H7 96.2 2 2 2 no
H5 H8 H8 60.7 2 2 2 no
H5 H8 H9 68.6 2 2 2 no
H5 H8 H7 143.9 8 8 8 no
H5 H8 H7 125.3 8 8 8 no
H5 H8 H8 90.6 8 8 8 no
H5 H8 H9 82.4 8 8 8 no
H7 H8 H7 82.1 . . . no
H7 H8 H8 119.6 . . . no
H7 H8 H9 95.4 . . . no
H7 H8 H8 37.5 7 7 7 no
H7 H8 H9 59.8 7 7 7 no
H8 H8 H9 60.0 7 7 7 no
O1 H9 O1 124.3 3_645 3_645 3_645 no
O1 H9 O3 64.8 3_645 3_645 3_645 no
O1 H9 C6 67.6 3_645 3_645 3_645 no
O1 H9 C8 121.7 3_645 3_645 3_645 no
O1 H9 C8 57.0 3_645 3_645 3_645 no
O1 H9 C9 94.6 3_645 3_645 3_645 no
O1 H9 C9 140.5 3_645 3_645 3_645 no
O1 H9 C9 129.1 3_645 3_645 3_645 no
O1 H9 C9 71.5 3_645 3_645 3_645 no
O1 H9 C10 116.9 3_645 3_645 3_645 no
O1 H9 C11 104.1 3_645 3_645 3_645 no
O1 H9 H3 126.1 3_645 3_645 3_645 no
O1 H9 H3 57.9 3_645 3_645 3_645 no
O1 H9 H4 73.1 3_645 3_645 3_645 no
O1 H9 H5 81.1 3_645 3_645 3_645 no
O1 H9 H5 51.4 3_645 3_645 3_645 no
O1 H9 H6 106.3 3_645 3_645 3_645 no
O1 H9 H6 63.2 3_645 3_645 3_645 no
O1 H9 H7 76.3 3_645 3_645 3_645 no
O1 H9 H7 157.8 3_645 3_645 3_645 no
O1 H9 H7 120.5 3_645 3_645 3_645 no
O1 H9 H7 86.0 3_645 3_645 3_645 no
O1 H9 H8 69.1 3_645 3_645 3_645 no
O1 H9 H8 121.9 3_645 3_645 3_645 no
O1 H9 O3 64.8 3_655 3_655 3_655 no
O1 H9 C6 67.6 3_655 3_655 3_655 no
O1 H9 C8 57.0 3_655 3_655 3_655 no
O1 H9 C8 121.7 3_655 3_655 3_655 no
O1 H9 C9 140.5 3_655 3_655 3_655 no
O1 H9 C9 94.6 3_655 3_655 3_655 no
O1 H9 C9 71.5 3_655 3_655 3_655 no
O1 H9 C9 129.1 3_655 3_655 3_655 no
O1 H9 C10 116.9 3_655 3_655 3_655 no
O1 H9 C11 104.1 3_655 3_655 3_655 no
O1 H9 H3 57.9 3_655 3_655 3_655 no
O1 H9 H3 126.1 3_655 3_655 3_655 no
O1 H9 H4 73.1 3_655 3_655 3_655 no
O1 H9 H5 51.4 3_655 3_655 3_655 no
O1 H9 H5 81.1 3_655 3_655 3_655 no
O1 H9 H6 63.2 3_655 3_655 3_655 no
O1 H9 H6 106.3 3_655 3_655 3_655 no
O1 H9 H7 157.8 3_655 3_655 3_655 no
O1 H9 H7 76.3 3_655 3_655 3_655 no
O1 H9 H7 86.0 3_655 3_655 3_655 no
O1 H9 H7 120.5 3_655 3_655 3_655 no
O1 H9 H8 121.9 3_655 3_655 3_655 no
O1 H9 H8 69.1 3_655 3_655 3_655 no
O3 H9 C6 59.4 3_655 3_655 3_655 no
O3 H9 C8 69.9 3_655 3_655 3_655 no
O3 H9 C8 69.9 3_655 3_655 3_655 no
O3 H9 C9 152.0 3_655 3_655 3_655 no
O3 H9 C9 152.0 3_655 3_655 3_655 no
O3 H9 C9 89.5 3_655 3_655 3_655 no
O3 H9 C9 89.5 3_655 3_655 3_655 no
O3 H9 C10 170.1 3_655 3_655 3_655 no
O3 H9 C11 145.5 3_655 3_655 3_655 no
O3 H9 H3 111.7 3_655 3_655 3_655 no
O3 H9 H3 111.7 3_655 3_655 3_655 no
O3 H9 H4 75.5 3_655 3_655 3_655 no
O3 H9 H5 55.7 3_655 3_655 3_655 no
O3 H9 H5 55.7 3_655 3_655 3_655 no
O3 H9 H6 58.1 3_655 3_655 3_655 no
O3 H9 H6 58.1 3_655 3_655 3_655 no
O3 H9 H7 137.4 3_655 3_655 3_655 no
O3 H9 H7 137.4 3_655 3_655 3_655 no
O3 H9 H7 95.4 3_655 3_655 3_655 no
O3 H9 H7 95.4 3_655 3_655 3_655 no
O3 H9 H8 120.8 3_655 3_655 3_655 no
O3 H9 H8 120.8 3_655 3_655 3_655 no
C6 H9 C8 116.3 2 2 2 no
C6 H9 C8 116.3 2 2 2 no
C6 H9 C9 132.2 2 2 2 no
C6 H9 C9 132.2 2 2 2 no
C6 H9 C9 136.2 2 2 2 no
C6 H9 C9 136.2 2 2 2 no
C6 H9 C10 130.5 2 2 2 no
C6 H9 C11 86.1 2 2 2 no
C6 H9 H3 66.6 2 2 2 no
C6 H9 H3 66.6 2 2 2 no
C6 H9 H4 16.1 2 2 2 no
C6 H9 H5 16.3 2 2 2 no
C6 H9 H5 16.3 2 2 2 no
C6 H9 H6 111.6 2 2 2 no
C6 H9 H6 111.6 2 2 2 no
C6 H9 H7 120.9 2 2 2 no
C6 H9 H7 120.9 2 2 2 no
C6 H9 H7 149.0 2 2 2 no
C6 H9 H7 149.0 2 2 2 no
C6 H9 H8 70.1 2 2 2 no
C6 H9 H8 70.1 2 2 2 no
C8 H9 C8 74.5 3_655 3_655 3_655 no
C8 H9 C9 110.8 3_655 3_655 3_655 no
C8 H9 C9 83.2 3_655 3_655 3_655 no
C8 H9 C9 21.0 3_655 3_655 3_655 no
C8 H9 C9 73.5 3_655 3_655 3_655 no
C8 H9 C10 102.4 3_655 3_655 3_655 no
C8 H9 C11 133.6 3_655 3_655 3_655 no
C8 H9 H3 103.4 3_655 3_655 3_655 no
C8 H9 H3 176.8 3_655 3_655 3_655 no
C8 H9 H4 127.5 3_655 3_655 3_655 no
C8 H9 H5 101.9 3_655 3_655 3_655 no
C8 H9 H5 121.9 3_655 3_655 3_655 no
C8 H9 H6 15.3 3_655 3_655 3_655 no
C8 H9 H6 62.4 3_655 3_655 3_655 no
C8 H9 H7 122.3 3_655 3_655 3_655 no
C8 H9 H7 74.9 3_655 3_655 3_655 no
C8 H9 H7 32.8 3_655 3_655 3_655 no
C8 H9 H7 63.6 3_655 3_655 3_655 no
C8 H9 H8 168.5 3_655 3_655 3_655 no
C8 H9 H8 112.0 3_655 3_655 3_655 no
C8 H9 C9 83.2 5_655 5_655 5_655 no
C8 H9 C9 110.8 5_655 5_655 5_655 no
C8 H9 C9 73.5 5_655 5_655 5_655 no
C8 H9 C9 21.0 5_655 5_655 5_655 no
C8 H9 C10 102.4 5_655 5_655 5_655 no
C8 H9 C11 133.6 5_655 5_655 5_655 no
C8 H9 H3 176.8 5_655 5_655 5_655 no
C8 H9 H3 103.4 5_655 5_655 5_655 no
C8 H9 H4 127.5 5_655 5_655 5_655 no
C8 H9 H5 121.9 5_655 5_655 5_655 no
C8 H9 H5 101.9 5_655 5_655 5_655 no
C8 H9 H6 62.4 5_655 5_655 5_655 no
C8 H9 H6 15.3 5_655 5_655 5_655 no
C8 H9 H7 74.9 5_655 5_655 5_655 no
C8 H9 H7 122.3 5_655 5_655 5_655 no
C8 H9 H7 63.6 5_655 5_655 5_655 no
C8 H9 H7 32.8 5_655 5_655 5_655 no
C8 H9 H8 112.0 5_655 5_655 5_655 no
C8 H9 H8 168.5 5_655 5_655 5_655 no
C9 H9 C9 46.1 . . . no
C9 H9 C9 89.9 . . . no
C9 H9 C9 65.1 . . . no
C9 H9 C10 23.9 . . . no
C9 H9 C11 54.5 . . . no
C9 H9 H3 95.6 . . . no
C9 H9 H3 66.5 . . . no
C9 H9 H4 118.1 . . . no
C9 H9 H5 143.6 . . . no
C9 H9 H5 126.6 . . . no
C9 H9 H6 115.9 . . . no
C9 H9 H6 96.5 . . . no
C9 H9 H7 18.4 . . . no
C9 H9 H7 64.3 . . . no
C9 H9 H7 78.5 . . . no
C9 H9 H7 63.0 . . . no
C9 H9 H8 62.2 . . . no
C9 H9 H8 85.6 . . . no
C9 H9 C9 65.1 7 7 7 no
C9 H9 C9 89.9 7 7 7 no
C9 H9 C10 23.9 7 7 7 no
C9 H9 C11 54.5 7 7 7 no
C9 H9 H3 66.5 7 7 7 no
C9 H9 H3 95.6 7 7 7 no
C9 H9 H4 118.1 7 7 7 no
C9 H9 H5 126.6 7 7 7 no
C9 H9 H5 143.6 7 7 7 no
C9 H9 H6 96.5 7 7 7 no
C9 H9 H6 115.9 7 7 7 no
C9 H9 H7 64.3 7 7 7 no
C9 H9 H7 18.4 7 7 7 no
C9 H9 H7 63.0 7 7 7 no
C9 H9 H7 78.5 7 7 7 no
C9 H9 H8 85.6 7 7 7 no
C9 H9 H8 62.2 7 7 7 no
C9 H9 C9 64.8 3_655 3_655 3_655 no
C9 H9 C10 82.1 3_655 3_655 3_655 no
C9 H9 C11 119.0 3_655 3_655 3_655 no
C9 H9 H3 103.7 3_655 3_655 3_655 no
C9 H9 H3 156.4 3_655 3_655 3_655 no
C9 H9 H4 144.6 3_655 3_655 3_655 no
C9 H9 H5 120.8 3_655 3_655 3_655 no
C9 H9 H5 142.9 3_655 3_655 3_655 no
C9 H9 H6 31.6 3_655 3_655 3_655 no
C9 H9 H6 65.9 3_655 3_655 3_655 no
C9 H9 H7 102.9 3_655 3_655 3_655 no
C9 H9 H7 61.1 3_655 3_655 3_655 no
C9 H9 H7 14.5 3_655 3_655 3_655 no
C9 H9 H7 51.8 3_655 3_655 3_655 no
C9 H9 H8 149.5 3_655 3_655 3_655 no
C9 H9 H8 109.0 3_655 3_655 3_655 no
C9 H9 C10 82.1 5_655 5_655 5_655 no
C9 H9 C11 119.0 5_655 5_655 5_655 no
C9 H9 H3 156.4 5_655 5_655 5_655 no
C9 H9 H3 103.7 5_655 5_655 5_655 no
C9 H9 H4 144.6 5_655 5_655 5_655 no
C9 H9 H5 142.9 5_655 5_655 5_655 no
C9 H9 H5 120.8 5_655 5_655 5_655 no
C9 H9 H6 65.9 5_655 5_655 5_655 no
C9 H9 H6 31.6 5_655 5_655 5_655 no
C9 H9 H7 61.1 5_655 5_655 5_655 no
C9 H9 H7 102.9 5_655 5_655 5_655 no
C9 H9 H7 51.8 5_655 5_655 5_655 no
C9 H9 H7 14.5 5_655 5_655 5_655 no
C9 H9 H8 109.0 5_655 5_655 5_655 no
C9 H9 H8 149.5 5_655 5_655 5_655 no
C10 H9 C11 44.4 . . . no
C10 H9 H3 75.7 . . . no
C10 H9 H3 75.7 . . . no
C10 H9 H4 114.4 . . . no
C10 H9 H5 133.7 . . . no
C10 H9 H5 133.7 . . . no
C10 H9 H6 113.1 . . . no
C10 H9 H6 113.1 . . . no
C10 H9 H7 41.2 . . . no
C10 H9 H7 41.2 . . . no
C10 H9 H7 75.2 . . . no
C10 H9 H7 75.2 . . . no
C10 H9 H8 67.4 . . . no
C10 H9 H8 67.4 . . . no
C11 H9 H3 46.4 . . . no
C11 H9 H3 46.4 . . . no
C11 H9 H4 70.0 . . . no
C11 H9 H5 91.3 . . . no
C11 H9 H5 91.3 . . . no
C11 H9 H6 148.8 . . . no
C11 H9 H6 148.8 . . . no
C11 H9 H7 59.0 . . . no
C11 H9 H7 59.0 . . . no
C11 H9 H7 117.1 . . . no
C11 H9 H7 117.1 . . . no
C11 H9 H8 35.1 . . . no
C11 H9 H8 35.1 . . . no
H3 H9 H3 78.7 3_656 3_656 3_656 no
H3 H9 H4 55.6 3_656 3_656 3_656 no
H3 H9 H5 60.6 3_656 3_656 3_656 no
H3 H9 H5 81.2 3_656 3_656 3_656 no
H3 H9 H6 115.9 3_656 3_656 3_656 no
H3 H9 H6 164.0 3_656 3_656 3_656 no
H3 H9 H7 104.8 3_656 3_656 3_656 no
H3 H9 H7 54.6 3_656 3_656 3_656 no
H3 H9 H7 113.4 3_656 3_656 3_656 no
H3 H9 H7 144.2 3_656 3_656 3_656 no
H3 H9 H8 69.7 3_656 3_656 3_656 no
H3 H9 H8 11.3 3_656 3_656 3_656 no
H3 H9 H4 55.6 5_656 5_656 5_656 no
H3 H9 H5 81.2 5_656 5_656 5_656 no
H3 H9 H5 60.6 5_656 5_656 5_656 no
H3 H9 H6 164.0 5_656 5_656 5_656 no
H3 H9 H6 115.9 5_656 5_656 5_656 no
H3 H9 H7 54.6 5_656 5_656 5_656 no
H3 H9 H7 104.8 5_656 5_656 5_656 no
H3 H9 H7 144.2 5_656 5_656 5_656 no
H3 H9 H7 113.4 5_656 5_656 5_656 no
H3 H9 H8 11.3 5_656 5_656 5_656 no
H3 H9 H8 69.7 5_656 5_656 5_656 no
H4 H9 H5 26.1 2 2 2 no
H4 H9 H5 26.1 2 2 2 no
H4 H9 H6 125.8 2 2 2 no
H4 H9 H6 125.8 2 2 2 no
H4 H9 H7 109.9 2 2 2 no
H4 H9 H7 109.9 2 2 2 no
H4 H9 H7 159.1 2 2 2 no
H4 H9 H7 159.1 2 2 2 no
H4 H9 H8 56.8 2 2 2 no
H4 H9 H8 56.8 2 2 2 no
H5 H9 H5 30.8 2 2 2 no
H5 H9 H6 99.8 2 2 2 no
H5 H9 H6 113.0 2 2 2 no
H5 H9 H7 135.8 2 2 2 no
H5 H9 H7 111.5 2 2 2 no
H5 H9 H7 134.5 2 2 2 no
H5 H9 H7 151.1 2 2 2 no
H5 H9 H8 82.9 2 2 2 no
H5 H9 H8 67.0 2 2 2 no
H5 H9 H6 113.0 8 8 8 no
H5 H9 H6 99.8 8 8 8 no
H5 H9 H7 111.5 8 8 8 no
H5 H9 H7 135.8 8 8 8 no
H5 H9 H7 151.1 8 8 8 no
H5 H9 H7 134.5 8 8 8 no
H5 H9 H8 67.0 8 8 8 no
H5 H9 H8 82.9 8 8 8 no
H6 H9 H6 48.9 3_655 3_655 3_655 no
H6 H9 H7 122.8 3_655 3_655 3_655 no
H6 H9 H7 89.8 3_655 3_655 3_655 no
H6 H9 H7 38.5 3_655 3_655 3_655 no
H6 H9 H7 59.2 3_655 3_655 3_655 no
H6 H9 H8 174.4 3_655 3_655 3_655 no
H6 H9 H8 125.5 3_655 3_655 3_655 no
H6 H9 H7 89.8 5_655 5_655 5_655 no
H6 H9 H7 122.8 5_655 5_655 5_655 no
H6 H9 H7 59.2 5_655 5_655 5_655 no
H6 H9 H7 38.5 5_655 5_655 5_655 no
H6 H9 H8 125.5 5_655 5_655 5_655 no
H6 H9 H8 174.4 5_655 5_655 5_655 no
H7 H9 H7 82.3 . . . no
H7 H9 H7 89.6 . . . no
H7 H9 H7 64.1 . . . no
H7 H9 H8 53.7 . . . no
H7 H9 H8 93.7 . . . no
H7 H9 H7 64.1 7 7 7 no
H7 H9 H7 89.6 7 7 7 no
H7 H9 H8 93.7 7 7 7 no
H7 H9 H8 53.7 7 7 7 no
H7 H9 H7 38.1 3_655 3_655 3_655 no
H7 H9 H8 140.5 3_655 3_655 3_655 no
H7 H9 H8 116.4 3_655 3_655 3_655 no
H7 H9 H8 116.4 5_655 5_655 5_655 no
H7 H9 H8 140.5 5_655 5_655 5_655 no
H8 H9 H8 60.0 . . . no
O1 H10 O2 149.1 . . . no
O1 H10 O3 65.8 . . . no
O1 H10 O3 116.6 . . . no
O1 H10 O3 65.8 . . . no
O1 H10 O4 95.3 . . . no
O1 H10 O4 99.9 . . . no
O1 H10 O4 95.3 . . . no
O1 H10 N1 45.2 . . . no
O1 H10 N2 66.2 . . . no
O1 H10 N3 123.8 . . . no
O1 H10 C1 28.9 . . . no
O1 H10 C2 102.8 . . . no
O1 H10 C2 92.0 . . . no
O1 H10 C2 92.0 . . . no
O1 H10 C3 88.4 . . . no
O1 H10 C3 108.1 . . . no
O1 H10 C3 108.1 . . . no
O1 H10 C4 66.9 . . . no
O1 H10 C6 138.8 . . . no
O1 H10 C6 70.3 . . . no
O1 H10 C6 70.3 . . . no
O1 H10 H1 76.1 . . . no
O1 H10 H1 103.5 . . . no
O1 H10 H1 103.5 . . . no
O1 H10 H2 41.2 . . . no
O1 H10 H4 160.7 . . . no
O1 H10 H5 136.8 . . . no
O1 H10 H5 136.8 . . . no
O1 H10 H5 60.8 . . . no
O1 H10 H5 60.8 . . . no
O2 H10 O3 122.1 4_554 4_554 4_554 no
O2 H10 O3 32.5 4_554 4_554 4_554 no
O2 H10 O3 122.1 4_554 4_554 4_554 no
O2 H10 O4 102.5 4_554 4_554 4_554 no
O2 H10 O4 49.2 4_554 4_554 4_554 no
O2 H10 O4 102.5 4_554 4_554 4_554 no
O2 H10 N1 165.7 4_554 4_554 4_554 no
O2 H10 N2 144.7 4_554 4_554 4_554 no
O2 H10 N3 25.3 4_554 4_554 4_554 no
O2 H10 C1 178.0 4_554 4_554 4_554 no
O2 H10 C2 108.1 4_554 4_554 4_554 no
O2 H10 C2 71.8 4_554 4_554 4_554 no
O2 H10 C2 71.8 4_554 4_554 4_554 no
O2 H10 C3 122.5 4_554 4_554 4_554 no
O2 H10 C3 64.2 4_554 4_554 4_554 no
O2 H10 C3 64.2 4_554 4_554 4_554 no
O2 H10 C4 144.0 4_554 4_554 4_554 no
O2 H10 C6 72.2 4_554 4_554 4_554 no
O2 H10 C6 92.8 4_554 4_554 4_554 no
O2 H10 C6 92.8 4_554 4_554 4_554 no
O2 H10 H1 73.0 4_554 4_554 4_554 no
O2 H10 H1 77.6 4_554 4_554 4_554 no
O2 H10 H1 77.6 4_554 4_554 4_554 no
O2 H10 H2 107.9 4_554 4_554 4_554 no
O2 H10 H4 50.3 4_554 4_554 4_554 no
O2 H10 H5 72.5 4_554 4_554 4_554 no
O2 H10 H5 72.5 4_554 4_554 4_554 no
O2 H10 H5 101.2 4_554 4_554 4_554 no
O2 H10 H5 101.2 4_554 4_554 4_554 no
O3 H10 O3 119.8 . . . no
O3 H10 O3 114.7 . . . no
O3 H10 O4 31.9 . . . no
O3 H10 O4 114.6 . . . no
O3 H10 O4 121.3 . . . no
O3 H10 N1 57.4 . . . no
O3 H10 N2 60.9 . . . no
O3 H10 N3 121.3 . . . no
O3 H10 C1 58.1 . . . no
O3 H10 C2 75.4 . . . no
O3 H10 C2 60.4 . . . no
O3 H10 C2 155.4 . . . no
O3 H10 C3 68.7 . . . no
O3 H10 C3 59.4 . . . no
O3 H10 C3 173.5 . . . no
O3 H10 C4 61.0 . . . no
O3 H10 C6 94.4 . . . no
O3 H10 C6 48.6 . . . no
O3 H10 C6 135.6 . . . no
O3 H10 H1 104.1 . . . no
O3 H10 H1 44.5 . . . no
O3 H10 H1 157.5 . . . no
O3 H10 H2 85.6 . . . no
O3 H10 H4 105.7 . . . no
O3 H10 H5 81.8 . . . no
O3 H10 H5 107.1 . . . no
O3 H10 H5 47.0 . . . no
O3 H10 H5 126.1 . . . no
O3 H10 O3 119.8 4_554 4_554 4_554 no
O3 H10 O4 118.2 4_554 4_554 4_554 no
O3 H10 O4 16.7 4_554 4_554 4_554 no
O3 H10 O4 118.2 4_554 4_554 4_554 no
O3 H10 N1 161.8 4_554 4_554 4_554 no
O3 H10 N2 177.2 4_554 4_554 4_554 no
O3 H10 N3 7.2 4_554 4_554 4_554 no
O3 H10 C1 145.5 4_554 4_554 4_554 no
O3 H10 C2 140.6 4_554 4_554 4_554 no
O3 H10 C2 59.4 4_554 4_554 4_554 no
O3 H10 C2 59.4 4_554 4_554 4_554 no
O3 H10 C3 155.0 4_554 4_554 4_554 no
O3 H10 C3 64.5 4_554 4_554 4_554 no
O3 H10 C3 64.5 4_554 4_554 4_554 no
O3 H10 C4 176.5 4_554 4_554 4_554 no
O3 H10 C6 104.7 4_554 4_554 4_554 no
O3 H10 C6 74.5 4_554 4_554 4_554 no
O3 H10 C6 74.5 4_554 4_554 4_554 no
O3 H10 H1 40.5 4_554 4_554 4_554 no
O3 H10 H1 82.6 4_554 4_554 4_554 no
O3 H10 H1 82.6 4_554 4_554 4_554 no
O3 H10 H2 75.4 4_554 4_554 4_554 no
O3 H10 H4 82.7 4_554 4_554 4_554 no
O3 H10 H5 103.9 4_554 4_554 4_554 no
O3 H10 H5 103.9 4_554 4_554 4_554 no
O3 H10 H5 80.0 4_554 4_554 4_554 no
O3 H10 H5 80.0 4_554 4_554 4_554 no
O3 H10 O4 121.3 1_565 1_565 1_565 no
O3 H10 O4 114.6 1_565 1_565 1_565 no
O3 H10 O4 31.9 1_565 1_565 1_565 no
O3 H10 N1 57.4 1_565 1_565 1_565 no
O3 H10 N2 60.9 1_565 1_565 1_565 no
O3 H10 N3 121.3 1_565 1_565 1_565 no
O3 H10 C1 58.1 1_565 1_565 1_565 no
O3 H10 C2 75.4 1_565 1_565 1_565 no
O3 H10 C2 155.4 1_565 1_565 1_565 no
O3 H10 C2 60.4 1_565 1_565 1_565 no
O3 H10 C3 68.7 1_565 1_565 1_565 no
O3 H10 C3 173.5 1_565 1_565 1_565 no
O3 H10 C3 59.4 1_565 1_565 1_565 no
O3 H10 C4 61.0 1_565 1_565 1_565 no
O3 H10 C6 94.4 1_565 1_565 1_565 no
O3 H10 C6 135.6 1_565 1_565 1_565 no
O3 H10 C6 48.6 1_565 1_565 1_565 no
O3 H10 H1 104.1 1_565 1_565 1_565 no
O3 H10 H1 157.5 1_565 1_565 1_565 no
O3 H10 H1 44.5 1_565 1_565 1_565 no
O3 H10 H2 85.6 1_565 1_565 1_565 no
O3 H10 H4 105.7 1_565 1_565 1_565 no
O3 H10 H5 107.1 1_565 1_565 1_565 no
O3 H10 H5 81.8 1_565 1_565 1_565 no
O3 H10 H5 126.1 1_565 1_565 1_565 no
O3 H10 H5 47.0 1_565 1_565 1_565 no
O4 H10 O4 123.4 . . . no
O4 H10 O4 108.8 . . . no
O4 H10 N1 69.9 . . . no
O4 H10 N2 60.7 . . . no
O4 H10 N3 115.2 . . . no
O4 H10 C1 78.7 . . . no
O4 H10 C2 54.5 . . . no
O4 H10 C2 68.7 . . . no
O4 H10 C2 172.5 . . . no
O4 H10 C3 55.1 . . . no
O4 H10 C3 55.5 . . . no
O4 H10 C3 152.2 . . . no
O4 H10 C4 60.5 . . . no
O4 H10 C6 63.4 . . . no
O4 H10 C6 68.6 . . . no
O4 H10 C6 164.7 . . . no
O4 H10 H1 125.5 . . . no
O4 H10 H1 37.3 . . . no
O4 H10 H1 141.7 . . . no
O4 H10 H2 116.6 . . . no
O4 H10 H4 73.9 . . . no
O4 H10 H5 50.1 . . . no
O4 H10 H5 77.2 . . . no
O4 H10 H5 71.5 . . . no
O4 H10 H5 155.6 . . . no
O4 H10 O4 123.4 4_554 4_554 4_554 no
O4 H10 N1 145.1 4_554 4_554 4_554 no
O4 H10 N2 166.1 4_554 4_554 4_554 no
O4 H10 N3 23.9 4_554 4_554 4_554 no
O4 H10 C1 128.8 4_554 4_554 4_554 no
O4 H10 C2 157.3 4_554 4_554 4_554 no
O4 H10 C2 56.7 4_554 4_554 4_554 no
O4 H10 C2 56.7 4_554 4_554 4_554 no
O4 H10 C3 171.7 4_554 4_554 4_554 no
O4 H10 C3 68.0 4_554 4_554 4_554 no
O4 H10 C3 68.0 4_554 4_554 4_554 no
O4 H10 C4 166.8 4_554 4_554 4_554 no
O4 H10 C6 121.3 4_554 4_554 4_554 no
O4 H10 C6 66.3 4_554 4_554 4_554 no
O4 H10 C6 66.3 4_554 4_554 4_554 no
O4 H10 H1 23.8 4_554 4_554 4_554 no
O4 H10 H1 86.1 4_554 4_554 4_554 no
O4 H10 H1 86.1 4_554 4_554 4_554 no
O4 H10 H2 58.7 4_554 4_554 4_554 no
O4 H10 H4 99.4 4_554 4_554 4_554 no
O4 H10 H5 119.9 4_554 4_554 4_554 no
O4 H10 H5 119.9 4_554 4_554 4_554 no
O4 H10 H5 69.7 4_554 4_554 4_554 no
O4 H10 H5 69.7 4_554 4_554 4_554 no
O4 H10 N1 69.9 1_565 1_565 1_565 no
O4 H10 N2 60.7 1_565 1_565 1_565 no
O4 H10 N3 115.2 1_565 1_565 1_565 no
O4 H10 C1 78.7 1_565 1_565 1_565 no
O4 H10 C2 54.5 1_565 1_565 1_565 no
O4 H10 C2 172.5 1_565 1_565 1_565 no
O4 H10 C2 68.7 1_565 1_565 1_565 no
O4 H10 C3 55.1 1_565 1_565 1_565 no
O4 H10 C3 152.2 1_565 1_565 1_565 no
O4 H10 C3 55.5 1_565 1_565 1_565 no
O4 H10 C4 60.5 1_565 1_565 1_565 no
O4 H10 C6 63.4 1_565 1_565 1_565 no
O4 H10 C6 164.7 1_565 1_565 1_565 no
O4 H10 C6 68.6 1_565 1_565 1_565 no
O4 H10 H1 125.5 1_565 1_565 1_565 no
O4 H10 H1 141.7 1_565 1_565 1_565 no
O4 H10 H1 37.3 1_565 1_565 1_565 no
O4 H10 H2 116.6 1_565 1_565 1_565 no
O4 H10 H4 73.9 1_565 1_565 1_565 no
O4 H10 H5 77.2 1_565 1_565 1_565 no
O4 H10 H5 50.1 1_565 1_565 1_565 no
O4 H10 H5 155.6 1_565 1_565 1_565 no
O4 H10 H5 71.5 1_565 1_565 1_565 no
N1 H10 N2 21.0 . . . no
N1 H10 N3 169.0 . . . no
N1 H10 C1 16.3 . . . no
N1 H10 C2 57.6 . . . no
N1 H10 C2 114.6 . . . no
N1 H10 C2 114.6 . . . no
N1 H10 C3 43.2 . . . no
N1 H10 C3 116.8 . . . no
N1 H10 C3 116.8 . . . no
N1 H10 C4 21.7 . . . no
N1 H10 C6 93.5 . . . no
N1 H10 C6 95.4 . . . no
N1 H10 C6 95.4 . . . no
N1 H10 H1 121.3 . . . no
N1 H10 H1 100.6 . . . no
N1 H10 H1 100.6 . . . no
N1 H10 H2 86.4 . . . no
N1 H10 H4 115.5 . . . no
N1 H10 H5 93.7 . . . no
N1 H10 H5 93.7 . . . no
N1 H10 H5 88.1 . . . no
N1 H10 H5 88.1 . . . no
N2 H10 N3 170.0 . . . no
N2 H10 C1 37.3 . . . no
N2 H10 C2 36.6 . . . no
N2 H10 C2 121.2 . . . no
N2 H10 C2 121.2 . . . no
N2 H10 C3 22.2 . . . no
N2 H10 C3 115.1 . . . no
N2 H10 C3 115.1 . . . no
N2 H10 C4 0.7 . . . no
N2 H10 C6 72.5 . . . no
N2 H10 C6 107.0 . . . no
N2 H10 C6 107.0 . . . no
N2 H10 H1 142.3 . . . no
N2 H10 H1 96.9 . . . no
N2 H10 H1 96.9 . . . no
N2 H10 H2 107.4 . . . no
N2 H10 H4 94.5 . . . no
N2 H10 H5 73.4 . . . no
N2 H10 H5 73.4 . . . no
N2 H10 H5 101.8 . . . no
N2 H10 H5 101.8 . . . no
N3 H10 C1 152.7 4_554 4_554 4_554 no
N3 H10 C2 133.4 4_554 4_554 4_554 no
N3 H10 C2 61.5 4_554 4_554 4_554 no
N3 H10 C2 61.5 4_554 4_554 4_554 no
N3 H10 C3 147.8 4_554 4_554 4_554 no
N3 H10 C3 63.6 4_554 4_554 4_554 no
N3 H10 C3 63.6 4_554 4_554 4_554 no
N3 H10 C4 169.3 4_554 4_554 4_554 no
N3 H10 C6 97.4 4_554 4_554 4_554 no
N3 H10 C6 78.4 4_554 4_554 4_554 no
N3 H10 C6 78.4 4_554 4_554 4_554 no
N3 H10 H1 47.7 4_554 4_554 4_554 no
N3 H10 H1 81.2 4_554 4_554 4_554 no
N3 H10 H1 81.2 4_554 4_554 4_554 no
N3 H10 H2 82.6 4_554 4_554 4_554 no
N3 H10 H4 75.5 4_554 4_554 4_554 no
N3 H10 H5 96.9 4_554 4_554 4_554 no
N3 H10 H5 96.9 4_554 4_554 4_554 no
N3 H10 H5 84.7 4_554 4_554 4_554 no
N3 H10 H5 84.7 4_554 4_554 4_554 no
C1 H10 C2 73.9 . . . no
C1 H10 C2 107.3 . . . no
C1 H10 C2 107.3 . . . no
C1 H10 C3 59.5 . . . no
C1 H10 C3 115.5 . . . no
C1 H10 C3 115.5 . . . no
C1 H10 C4 38.0 . . . no
C1 H10 C6 109.9 . . . no
C1 H10 C6 86.0 . . . no
C1 H10 C6 86.0 . . . no
C1 H10 H1 105.0 . . . no
C1 H10 H1 102.6 . . . no
C1 H10 H1 102.6 . . . no
C1 H10 H2 70.1 . . . no
C1 H10 H4 131.8 . . . no
C1 H10 H5 109.4 . . . no
C1 H10 H5 109.4 . . . no
C1 H10 H5 77.5 . . . no
C1 H10 H5 77.5 . . . no
C2 H10 C2 122.0 . . . no
C2 H10 C2 122.0 . . . no
C2 H10 C3 14.5 . . . no
C2 H10 C3 104.4 . . . no
C2 H10 C3 104.4 . . . no
C2 H10 C4 36.0 . . . no
C2 H10 C6 35.9 . . . no
C2 H10 C6 122.0 . . . no
C2 H10 C6 122.0 . . . no
C2 H10 H1 178.9 . . . no
C2 H10 H1 88.6 . . . no
C2 H10 H1 88.6 . . . no
C2 H10 H2 144.0 . . . no
C2 H10 H4 57.8 . . . no
C2 H10 H5 38.8 . . . no
C2 H10 H5 38.8 . . . no
C2 H10 H5 122.4 . . . no
C2 H10 H5 122.4 . . . no
C2 H10 C2 112.9 4_554 4_554 4_554 no
C2 H10 C3 123.5 4_554 4_554 4_554 no
C2 H10 C3 20.8 4_554 4_554 4_554 no
C2 H10 C3 123.6 4_554 4_554 4_554 no
C2 H10 C4 121.4 4_554 4_554 4_554 no
C2 H10 C6 109.7 4_554 4_554 4_554 no
C2 H10 C6 22.0 4_554 4_554 4_554 no
C2 H10 C6 115.8 4_554 4_554 4_554 no
C2 H10 H1 58.2 4_554 4_554 4_554 no
C2 H10 H1 33.5 4_554 4_554 4_554 no
C2 H10 H1 141.9 4_554 4_554 4_554 no
C2 H10 H2 70.3 4_554 4_554 4_554 no
C2 H10 H4 98.6 4_554 4_554 4_554 no
C2 H10 H5 96.2 4_554 4_554 4_554 no
C2 H10 H5 122.7 4_554 4_554 4_554 no
C2 H10 H5 31.4 4_554 4_554 4_554 no
C2 H10 H5 113.9 4_554 4_554 4_554 no
C2 H10 C3 123.5 4_564 4_564 4_564 no
C2 H10 C3 123.6 4_564 4_564 4_564 no
C2 H10 C3 20.8 4_564 4_564 4_564 no
C2 H10 C4 121.4 4_564 4_564 4_564 no
C2 H10 C6 109.7 4_564 4_564 4_564 no
C2 H10 C6 115.8 4_564 4_564 4_564 no
C2 H10 C6 22.0 4_564 4_564 4_564 no
C2 H10 H1 58.2 4_564 4_564 4_564 no
C2 H10 H1 141.9 4_564 4_564 4_564 no
C2 H10 H1 33.5 4_564 4_564 4_564 no
C2 H10 H2 70.3 4_564 4_564 4_564 no
C2 H10 H4 98.6 4_564 4_564 4_564 no
C2 H10 H5 122.7 4_564 4_564 4_564 no
C2 H10 H5 96.2 4_564 4_564 4_564 no
C2 H10 H5 113.9 4_564 4_564 4_564 no
C2 H10 H5 31.4 4_564 4_564 4_564 no
C3 H10 C3 109.6 . . . no
C3 H10 C3 109.6 . . . no
C3 H10 C4 21.5 . . . no
C3 H10 C6 50.4 . . . no
C3 H10 C6 117.2 . . . no
C3 H10 C6 117.2 . . . no
C3 H10 H1 164.5 . . . no
C3 H10 H1 92.0 . . . no
C3 H10 H1 92.0 . . . no
C3 H10 H2 129.6 . . . no
C3 H10 H4 72.3 . . . no
C3 H10 H5 52.2 . . . no
C3 H10 H5 52.2 . . . no
C3 H10 H5 115.1 . . . no
C3 H10 H5 115.1 . . . no
C3 H10 C3 126.4 4_554 4_554 4_554 no
C3 H10 C4 115.0 4_554 4_554 4_554 no
C3 H10 C6 88.9 4_554 4_554 4_554 no
C3 H10 C6 38.9 4_554 4_554 4_554 no
C3 H10 C6 133.0 4_554 4_554 4_554 no
C3 H10 H1 76.0 4_554 4_554 4_554 no
C3 H10 H1 18.3 4_554 4_554 4_554 no
C3 H10 H1 141.8 4_554 4_554 4_554 no
C3 H10 H2 91.1 4_554 4_554 4_554 no
C3 H10 H4 79.3 4_554 4_554 4_554 no
C3 H10 H5 75.5 4_554 4_554 4_554 no
C3 H10 H5 102.2 4_554 4_554 4_554 no
C3 H10 H5 48.3 4_554 4_554 4_554 no
C3 H10 H5 133.0 4_554 4_554 4_554 no
C3 H10 C4 115.0 4_564 4_564 4_564 no
C3 H10 C6 88.9 4_564 4_564 4_564 no
C3 H10 C6 133.0 4_564 4_564 4_564 no
C3 H10 C6 38.9 4_564 4_564 4_564 no
C3 H10 H1 76.0 4_564 4_564 4_564 no
C3 H10 H1 141.8 4_564 4_564 4_564 no
C3 H10 H1 18.3 4_564 4_564 4_564 no
C3 H10 H2 91.1 4_564 4_564 4_564 no
C3 H10 H4 79.3 4_564 4_564 4_564 no
C3 H10 H5 102.2 4_564 4_564 4_564 no
C3 H10 H5 75.5 4_564 4_564 4_564 no
C3 H10 H5 133.0 4_564 4_564 4_564 no
C3 H10 H5 48.3 4_564 4_564 4_564 no
C4 H10 C6 71.9 . . . no
C4 H10 C6 107.3 . . . no
C4 H10 C6 107.3 . . . no
C4 H10 H1 143.0 . . . no
C4 H10 H1 96.8 . . . no
C4 H10 H1 96.8 . . . no
C4 H10 H2 108.1 . . . no
C4 H10 H4 93.8 . . . no
C4 H10 H5 72.8 . . . no
C4 H10 H5 72.8 . . . no
C4 H10 H5 102.2 . . . no
C4 H10 H5 102.2 . . . no
C6 H10 C6 124.1 . . . no
C6 H10 C6 124.1 . . . no
C6 H10 H1 145.1 . . . no
C6 H10 H1 81.0 . . . no
C6 H10 H1 81.0 . . . no
C6 H10 H2 179.9 . . . no
C6 H10 H4 21.9 . . . no
C6 H10 H5 15.0 . . . no
C6 H10 H5 15.0 . . . no
C6 H10 H5 131.0 . . . no
C6 H10 H5 131.0 . . . no
C6 H10 C6 109.7 4_554 4_554 4_554 no
C6 H10 H1 57.7 4_554 4_554 4_554 no
C6 H10 H1 43.1 4_554 4_554 4_554 no
C6 H10 H1 149.3 4_554 4_554 4_554 no
C6 H10 H2 55.9 4_554 4_554 4_554 no
C6 H10 H4 118.2 4_554 4_554 4_554 no
C6 H10 H5 109.2 4_554 4_554 4_554 no
C6 H10 H5 138.9 4_554 4_554 4_554 no
C6 H10 H5 9.6 4_554 4_554 4_554 no
C6 H10 H5 104.4 4_554 4_554 4_554 no
C6 H10 H1 57.7 4_564 4_564 4_564 no
C6 H10 H1 149.3 4_564 4_564 4_564 no
C6 H10 H1 43.1 4_564 4_564 4_564 no
C6 H10 H2 55.9 4_564 4_564 4_564 no
C6 H10 H4 118.2 4_564 4_564 4_564 no
C6 H10 H5 138.9 4_564 4_564 4_564 no
C6 H10 H5 109.2 4_564 4_564 4_564 no
C6 H10 H5 104.4 4_564 4_564 4_564 no
C6 H10 H5 9.6 4_564 4_564 4_564 no
H1 H10 H1 91.6 1_554 1_554 1_554 no
H1 H10 H1 91.6 1_554 1_554 1_554 no
H1 H10 H2 34.9 1_554 1_554 1_554 no
H1 H10 H4 123.2 1_554 1_554 1_554 no
H1 H10 H5 142.2 1_554 1_554 1_554 no
H1 H10 H5 142.2 1_554 1_554 1_554 no
H1 H10 H5 57.2 1_554 1_554 1_554 no
H1 H10 H5 57.2 1_554 1_554 1_554 no
H1 H10 H1 152.9 4_554 4_554 4_554 no
H1 H10 H2 99.0 4_554 4_554 4_554 no
H1 H10 H4 77.9 4_554 4_554 4_554 no
H1 H10 H5 66.2 4_554 4_554 4_554 no
H1 H10 H5 95.7 4_554 4_554 4_554 no
H1 H10 H5 50.7 4_554 4_554 4_554 no
H1 H10 H5 146.6 4_554 4_554 4_554 no
H1 H10 H2 99.0 4_564 4_564 4_564 no
H1 H10 H4 77.9 4_564 4_564 4_564 no
H1 H10 H5 95.7 4_564 4_564 4_564 no
H1 H10 H5 66.2 4_564 4_564 4_564 no
H1 H10 H5 146.6 4_564 4_564 4_564 no
H1 H10 H5 50.7 4_564 4_564 4_564 no
H2 H10 H4 158.2 1_554 1_554 1_554 no
H2 H10 H5 165.0 1_554 1_554 1_554 no
H2 H10 H5 165.0 1_554 1_554 1_554 no
H2 H10 H5 49.0 1_554 1_554 1_554 no
H2 H10 H5 49.0 1_554 1_554 1_554 no
H4 H10 H5 26.1 . . . no
H4 H10 H5 26.1 . . . no
H4 H10 H5 127.3 . . . no
H4 H10 H5 127.3 . . . no
H5 H10 H5 30.0 . . . no
H5 H10 H5 116.0 . . . no
H5 H10 H5 146.0 . . . no
H5 H10 H5 146.0 7 7 7 no
H5 H10 H5 116.0 7 7 7 no
H5 H10 H5 98.0 4_554 4_554 4_554 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 N1 2.294(5) . . ?
O1 N2 2.302(5) . . ?
O1 C1 1.228(6) . . ?
O2 O3 2.114(6) . . ?
O2 O4 2.162(5) . . ?
O2 N1 3.49(2) . . ?
O2 N1 3.49(2) . . ?
O2 N2 3.697(5) . . ?
O2 N3 1.229(5) . . ?
O2 H1 3.86 . . no
O2 H1 3.86 . . no
O2 H2 3.72 . . no
O2 H2 3.72 . . no
O2 H3 2.99 . . no
O2 H3 2.99 . . no
O2 H4 2.22 . . no
O2 H5 3.54 . . no
O2 H5 3.54 . . no
O2 H6 2.91 . . no
O2 H6 2.91 . . no
O2 H8 3.35 . . no
O2 H8 3.35 . . no
O2 H10 2.86 . . no
O3 O4 2.124(5) . . ?
O3 N3 1.201(5) . . ?
O3 H1 2.72 . . no
O3 H4 3.98 . . no
O3 H5 2.83 . . no
O3 H5 2.83 . . no
O3 H6 2.88 . . no
O3 H6 2.88 . . no
O3 H9 3.03 . . no
O3 H10 3.79 . . no
O3 H10 3.86 . . no
O3 H10 3.79 . . no
O4 N2 3.55(2) . . ?
O4 N2 2.845(5) . . ?
O4 N2 3.55(2) . . ?
O4 N3 1.265(5) . . ?
O4 H1 3.67 . . no
O4 H1 3.67 . . no
O4 H1 2.38 . . no
O4 H2 3.33 . . no
O4 H4 3.91 . . no
O4 H4 3.08 . . no
O4 H4 3.91 . . no
O4 H5 3.06 . . no
O4 H5 3.06 . . no
O4 H10 3.92 . . no
O4 H10 1.89 . . no
O4 H10 3.92 . . no
N1 N2 2.329(6) . . ?
N1 N3 3.467(6) . . ?
N1 N3 3.467(6) . . ?
N1 C1 1.391(6) . . ?
N1 C4 1.365(6) . . ?
N1 C7 1.447(6) . . ?
N1 H1 3.41 . . no
N1 H2 3.22 . . no
N1 H3 2.68 . . no
N1 H3 2.68 . . no
N1 H6 2.59 . . no
N1 H6 2.59 . . no
N1 H10 3.21 . . no
N2 N3 3.54(2) . . ?
N2 N3 3.699(6) . . ?
N2 N3 3.54(2) . . ?
N2 C1 1.383(5) . . ?
N2 C2 1.349(6) . . ?
N2 H1 3.33 . . no
N2 H1 3.53 . . no
N2 H1 3.53 . . no
N2 H4 2.42 . . no
N2 H5 2.98 . . no
N2 H5 2.98 . . no
N2 H5 3.49 . . no
N2 H5 3.49 . . no
N2 H10 0.98 . . no
N3 C1 3.57(2) . . ?
N3 C1 3.57(2) . . ?
N3 C2 3.480(3) . . ?
N3 C2 3.480(3) . . ?
N3 C3 3.40(2) . . ?
N3 C3 3.40(2) . . ?
N3 C4 3.39(2) . . ?
N3 C4 3.39(2) . . ?
N3 C6 3.943(7) . . ?
N3 H1 3.93 . . no
N3 H1 3.93 . . no
N3 H1 2.95 . . no
N3 H3 3.83 . . no
N3 H3 3.83 . . no
N3 H4 3.02 . . no
N3 H5 3.98 . . no
N3 H5 3.86 . . no
N3 H5 3.98 . . no
N3 H5 3.86 . . no
N3 H6 3.24 . . no
N3 H6 3.24 . . no
N3 H10 2.73 . . no
C2 C3 1.358(6) . . ?
C2 C6 1.472(7) . . ?
C3 C4 1.359(6) . . ?
C3 H1 1.13 . . no
C4 C5 1.462(7) . . ?
C4 H2 1.99 . . no
C4 H3 1.99 . . no
C4 H3 1.99 . . no
C5 H2 0.94 . . no
C5 H3 0.95 . . no
C5 H3 0.95 . . no
C6 H4 0.95 . . no
C6 H5 0.95 . . no
C6 H5 0.95 . . no
C7 C8 1.337(5) . . ?
C7 C8 1.337(5) . . ?
C8 C9 1.376(5) . . ?
C8 H6 0.95 . . no
C9 C10 1.355(5) . . ?
C9 H7 0.95 . . no
C10 C11 1.508(7) . . ?
C10 H7 1.99 . . no
C10 H7 1.99 . . no
C11 H8 0.95 . . no
C11 H8 0.95 . . no
C11 H9 0.95 . . no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H10 O4 0.98 1.89 2.845(5) 166.1 4_554
