#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:26:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180079 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/25/7052518.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_7052518
_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_paper_doi               10.1039/b104646m
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C12 H12 Cl N3 O4'
_chemical_formula_sum            'C12 H12 Cl N3 O4'
_chemical_formula_weight         297.70
_space_group_IT_number           62
_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                   26.880(3)
_cell_length_b                   6.348(1)
_cell_length_c                   8.102(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14
_cell_measurement_theta_min      10
_cell_volume                     1382.5(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'teXsan for Windows vers. 1.06 (MSC, 1997-1999)'
_computing_publication_material
'teXsan for Windows vers.1.06(MSC, 1997-1999)'
_computing_structure_refinement
'teXsan for Windows vers.1.06(MSC, 1997-1999)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.03271
_diffrn_orient_matrix_UB_12      -0.00392
_diffrn_orient_matrix_UB_13      0.05872
_diffrn_orient_matrix_UB_21      -0.01747
_diffrn_orient_matrix_UB_22      0.01965
_diffrn_orient_matrix_UB_23      0.10789
_diffrn_orient_matrix_UB_31      -0.00303
_diffrn_orient_matrix_UB_32      -0.15625
_diffrn_orient_matrix_UB_33      0.01208
_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  0.06650
_diffrn_reflns_av_sigmaI/netI    0.134
_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            4354
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        0.21
_diffrn_standards_interval_count '7200 s'
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.292
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_meas      ?
_exptl_crystal_description       NONE
_exptl_crystal_F_000             616.00
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.895
_refine_ls_goodness_of_fit_ref   2.900
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     115
_refine_ls_number_reflns         759
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00010|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0630
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                759
_reflns_number_total             2694
_reflns_threshold_expression     I>3.00σ(I)
_cod_data_source_file            b104646m.txt
_cod_data_source_block           '_1Cl.HNO3_______________'
_cod_original_sg_symbol_H-M      'P n m a    '
_cod_database_code               7052518
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
_atom_site_calc_attached_atom
Cl(1) 0.42487(4) 0.2500 0.6910(2) 0.1332(6) 1.0 S Uani d ?
O(1) 0.65117(8) 0.2500 0.4962(3) 0.0688(9) 1.0 S Uani d ?
O(2) 0.67254(10) -0.2500 0.6783(4) 0.0881(11) 1.0 S Uani d ?
O(3) 0.73517(9) -0.2500 0.8388(3) 0.0733(10) 1.0 S Uani d ?
O(4) 0.66017(10) -0.2500 0.9362(4) 0.0774(9) 1.0 S Uani d ?
N(1) 0.64310(9) 0.2500 0.7783(3) 0.0458(8) 1.0 S Uani d ?
N(2) 0.72162(9) 0.2500 0.6553(3) 0.0506(9) 1.0 S Uani d ?
N(3) 0.68876(11) -0.2500 0.8180(4) 0.0539(10) 1.0 S Uani d ?
C(1) 0.67016(12) 0.2500 0.6321(5) 0.0519(11) 1.0 S Uani d ?
C(2) 0.74368(12) 0.2500 0.8015(5) 0.0478(11) 1.0 S Uani d ?
C(3) 0.71533(12) 0.2500 0.9410(4) 0.0489(11) 1.0 S Uani d ?
C(4) 0.66438(12) 0.2500 0.9299(5) 0.0487(11) 1.0 S Uani d ?
C(5) 0.6329(1) 0.2500 1.0771(5) 0.0673(12) 1.0 S Uani d ?
C(6) 0.79926(12) 0.2500 0.8061(4) 0.0670(13) 1.0 S Uani d ?
C(7) 0.58930(11) 0.2500 0.7567(5) 0.0525(11) 1.0 S Uani d ?
C(8) 0.56458(9) 0.0680(5) 0.7473(5) 0.1098(13) 1.000 . Uani d ?
C(9) 0.51357(11) 0.0692(5) 0.7259(6) 0.129(2) 1.000 . Uani d ?
C(10) 0.48909(13) 0.2500 0.7171(6) 0.081(2) 1.0 S Uani d ?
H(1) 0.7421 0.2500 0.5606 0.082 1.0 S Uiso d ?
H(2) 0.7311 0.2500 1.0456 0.082 1.0 S Uiso d ?
H(3) 0.6537 0.2500 1.1741 0.082 1.0 S Uiso d ?
H(4) 0.6122 0.1291 1.0787 0.082 1.000 . Uiso c ?
H(5) 0.8100 0.2500 0.9175 0.082 1.0 S Uiso d ?
H(6) 0.8119 0.1451 0.7355 0.082 1.000 . Uiso c ?
H(7) 0.5821 -0.0629 0.7582 0.082 1.000 . Uiso c ?
H(8) 0.4958 -0.0592 0.7271 0.082 1.000 . Uiso c ?
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 48 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
H 0 48 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)
;
Cl 0 4 0.132 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
14 1 -1
-14 -1 -1
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
O2 CL1 O4 101.53(11) 3_656 3_656 3_656 ?
O2 CL1 C5 95.44(12) 3_656 3_656 3_656 ?
O2 CL1 C5 95.42(12) 3_656 3_656 3_656 ?
O2 CL1 C6 48.8(2) 3_656 3_656 3_656 ?
O2 CL1 C8 135.7(2) 3_656 3_656 3_656 ?
O2 CL1 C8 135.7(2) 3_656 3_656 3_656 ?
O2 CL1 C9 132.6(2) 3_656 3_656 3_656 ?
O2 CL1 C9 132.6(2) 3_656 3_656 3_656 ?
O2 CL1 C10 138.6(4) 3_656 3_656 3_656 ?
O2 CL1 H3 81.7 3_656 3_656 3_656 no
O2 CL1 H3 81.7 3_656 3_656 3_656 no
O2 CL1 H4 103.4 3_656 3_656 3_656 no
O2 CL1 H4 103.4 3_656 3_656 3_656 no
O2 CL1 H5 32.8 3_656 3_656 3_656 no
O2 CL1 H6 60.5 3_656 3_656 3_656 no
O2 CL1 H6 60.5 3_656 3_656 3_656 no
O2 CL1 H7 41.8 3_656 3_656 3_656 no
O2 CL1 H7 41.8 3_656 3_656 3_656 no
O2 CL1 H8 122.5 3_656 3_656 3_656 no
O2 CL1 H8 122.5 3_656 3_656 3_656 no
O4 CL1 C5 52.62(9) 3_657 3_657 3_657 ?
O4 CL1 C5 52.61(9) 3_657 3_657 3_657 ?
O4 CL1 C6 52.7(1) 3_657 3_657 3_657 ?
O4 CL1 C8 118.6(2) 3_657 3_657 3_657 ?
O4 CL1 C8 118.6(2) 3_657 3_657 3_657 ?
O4 CL1 C9 116.6(2) 3_657 3_657 3_657 ?
O4 CL1 C9 116.6(2) 3_657 3_657 3_657 ?
O4 CL1 C10 119.8(4) 3_657 3_657 3_657 ?
O4 CL1 H3 57.2 3_657 3_657 3_657 no
O4 CL1 H3 57.2 3_657 3_657 3_657 no
O4 CL1 H4 49.3 3_657 3_657 3_657 no
O4 CL1 H4 49.3 3_657 3_657 3_657 no
O4 CL1 H5 68.8 3_657 3_657 3_657 no
O4 CL1 H6 43.2 3_657 3_657 3_657 no
O4 CL1 H6 43.2 3_657 3_657 3_657 no
O4 CL1 H7 136.7 3_657 3_657 3_657 no
O4 CL1 H7 136.7 3_657 3_657 3_657 no
O4 CL1 H8 109.5 3_657 3_657 3_657 no
O4 CL1 H8 109.4 3_657 3_657 3_657 no
C5 CL1 C5 105.1(2) 3_647 3_647 3_647 ?
C5 CL1 C6 67.10(12) 3_647 3_647 3_647 ?
C5 CL1 C8 94.7(1) 3_647 3_647 3_647 ?
C5 CL1 C8 123.0(2) 3_647 3_647 3_647 ?
C5 CL1 C9 87.1(2) 3_647 3_647 3_647 ?
C5 CL1 C9 129.6(2) 3_647 3_647 3_647 ?
C5 CL1 C10 109.0(2) 3_647 3_647 3_647 ?
C5 CL1 H3 13.8 3_647 3_647 3_647 no
C5 CL1 H3 107.4 3_647 3_647 3_647 no
C5 CL1 H4 101.7 3_647 3_647 3_647 no
C5 CL1 H4 8.3 3_647 3_647 3_647 no
C5 CL1 H5 75.8 3_647 3_647 3_647 no
C5 CL1 H6 72.9 3_647 3_647 3_647 no
C5 CL1 H6 51.2 3_647 3_647 3_647 no
C5 CL1 H7 132.2 3_647 3_647 3_647 no
C5 CL1 H7 100.3 3_647 3_647 3_647 no
C5 CL1 H8 69.7 3_647 3_647 3_647 no
C5 CL1 H8 141.8 3_647 3_647 3_647 no
C5 CL1 C6 67.07(12) 3_657 3_657 3_657 ?
C5 CL1 C8 123.1(2) 3_657 3_657 3_657 ?
C5 CL1 C8 94.7(1) 3_657 3_657 3_657 ?
C5 CL1 C9 129.6(2) 3_657 3_657 3_657 ?
C5 CL1 C9 87.1(2) 3_657 3_657 3_657 ?
C5 CL1 C10 109.0(2) 3_657 3_657 3_657 ?
C5 CL1 H3 107.4 3_657 3_657 3_657 no
C5 CL1 H3 13.8 3_657 3_657 3_657 no
C5 CL1 H4 8.3 3_657 3_657 3_657 no
C5 CL1 H4 101.7 3_657 3_657 3_657 no
C5 CL1 H5 75.8 3_657 3_657 3_657 no
C5 CL1 H6 51.1 3_657 3_657 3_657 no
C5 CL1 H6 72.9 3_657 3_657 3_657 no
C5 CL1 H7 100.3 3_657 3_657 3_657 no
C5 CL1 H7 132.2 3_657 3_657 3_657 no
C5 CL1 H8 141.8 3_657 3_657 3_657 no
C5 CL1 H8 69.7 3_657 3_657 3_657 no
C6 CL1 C8 161.61(11) 2_456 2_456 2_456 ?
C6 CL1 C8 161.61(11) 2_456 2_456 2_456 ?
C6 CL1 C9 153.4(1) 2_456 2_456 2_456 ?
C6 CL1 C9 153.3(1) 2_456 2_456 2_456 ?
C6 CL1 C10 172.6(4) 2_456 2_456 2_456 ?
C6 CL1 H3 57.8 2_456 2_456 2_456 no
C6 CL1 H3 57.8 2_456 2_456 2_456 no
C6 CL1 H4 71.8 2_456 2_456 2_456 no
C6 CL1 H4 71.8 2_456 2_456 2_456 no
C6 CL1 H5 16.0 2_456 2_456 2_456 no
C6 CL1 H6 16.3 2_456 2_456 2_456 no
C6 CL1 H6 16.3 2_456 2_456 2_456 no
C6 CL1 H7 87.3 2_456 2_456 2_456 no
C6 CL1 H7 87.3 2_456 2_456 2_456 no
C6 CL1 H8 133.8 2_456 2_456 2_456 no
C6 CL1 H8 133.8 2_456 2_456 2_456 no
C8 CL1 C8 33.9(2) . . . ?
C8 CL1 C9 8.7(2) . . . ?
C8 CL1 C9 42.6(2) . . . ?
C8 CL1 C10 16.97(8) . . . ?
C8 CL1 H3 103.9 . . . no
C8 CL1 H3 135.0 . . . no
C8 CL1 H4 116.5 . . . no
C8 CL1 H4 90.4 . . . no
C8 CL1 H5 160.9 . . . no
C8 CL1 H6 161.8 . . . no
C8 CL1 H6 145.8 . . . no
C8 CL1 H7 104.4 . . . no
C8 CL1 H7 93.9 . . . no
C8 CL1 H8 28.6 . . . no
C8 CL1 H8 62.5 . . . no
C8 CL1 C9 42.6(2) 7 7 7 ?
C8 CL1 C9 8.7(2) 7 7 7 ?
C8 CL1 C10 16.97(8) 7 7 7 ?
C8 CL1 H3 135.0 7 7 7 no
C8 CL1 H3 103.9 7 7 7 no
C8 CL1 H4 90.5 7 7 7 no
C8 CL1 H4 116.5 7 7 7 no
C8 CL1 H5 160.9 7 7 7 no
C8 CL1 H6 145.8 7 7 7 no
C8 CL1 H6 161.8 7 7 7 no
C8 CL1 H7 93.9 7 7 7 no
C8 CL1 H7 104.4 7 7 7 no
C8 CL1 H8 62.5 7 7 7 no
C8 CL1 H8 28.6 7 7 7 no
C9 CL1 C9 51.3(3) . . . ?
C9 CL1 C10 25.66(13) . . . ?
C9 CL1 H3 95.6 . . . no
C9 CL1 H3 142.3 . . . no
C9 CL1 H4 122.5 . . . no
C9 CL1 H4 83.5 . . . no
C9 CL1 H5 153.0 . . . no
C9 CL1 H6 158.0 . . . no
C9 CL1 H6 138.2 . . . no
C9 CL1 H7 106.7 . . . no
C9 CL1 H7 91.1 . . . no
C9 CL1 H8 19.9 . . . no
C9 CL1 H8 71.2 . . . no
C9 CL1 C10 25.66(13) 7 7 7 ?
C9 CL1 H3 142.3 7 7 7 no
C9 CL1 H3 95.6 7 7 7 no
C9 CL1 H4 83.5 7 7 7 no
C9 CL1 H4 122.4 7 7 7 no
C9 CL1 H5 153.0 7 7 7 no
C9 CL1 H6 138.2 7 7 7 no
C9 CL1 H6 158.0 7 7 7 no
C9 CL1 H7 91.1 7 7 7 no
C9 CL1 H7 106.7 7 7 7 no
C9 CL1 H8 71.2 7 7 7 no
C9 CL1 H8 19.9 7 7 7 no
C10 CL1 H3 119.6 . . . no
C10 CL1 H3 119.6 . . . no
C10 CL1 H4 103.6 . . . no
C10 CL1 H4 103.6 . . . no
C10 CL1 H5 171.4 . . . no
C10 CL1 H6 158.1 . . . no
C10 CL1 H6 158.1 . . . no
C10 CL1 H7 99.7 . . . no
C10 CL1 H7 99.7 . . . no
C10 CL1 H8 45.5 . . . no
C10 CL1 H8 45.5 . . . no
H3 CL1 H3 106.3 3_647 3_647 3_647 no
H3 CL1 H4 105.9 3_647 3_647 3_647 no
H3 CL1 H4 22.0 3_647 3_647 3_647 no
H3 CL1 H5 64.1 3_647 3_647 3_647 no
H3 CL1 H6 66.8 3_647 3_647 3_647 no
H3 CL1 H6 43.0 3_647 3_647 3_647 no
H3 CL1 H7 118.9 3_647 3_647 3_647 no
H3 CL1 H7 89.3 3_647 3_647 3_647 no
H3 CL1 H8 76.6 3_647 3_647 3_647 no
H3 CL1 H8 155.6 3_647 3_647 3_647 no
H3 CL1 H4 22.0 3_657 3_657 3_657 no
H3 CL1 H4 105.9 3_657 3_657 3_657 no
H3 CL1 H5 64.1 3_657 3_657 3_657 no
H3 CL1 H6 43.0 3_657 3_657 3_657 no
H3 CL1 H6 66.7 3_657 3_657 3_657 no
H3 CL1 H7 89.3 3_657 3_657 3_657 no
H3 CL1 H7 118.9 3_657 3_657 3_657 no
H3 CL1 H8 155.6 3_657 3_657 3_657 no
H3 CL1 H8 76.6 3_657 3_657 3_657 no
H4 CL1 H4 97.3 3_657 3_657 3_657 no
H4 CL1 H5 81.9 3_657 3_657 3_657 no
H4 CL1 H6 55.5 3_657 3_657 3_657 no
H4 CL1 H6 75.5 3_657 3_657 3_657 no
H4 CL1 H7 107.8 3_657 3_657 3_657 no
H4 CL1 H7 140.4 3_657 3_657 3_657 no
H4 CL1 H8 133.6 3_657 3_657 3_657 no
H4 CL1 H8 67.5 3_657 3_657 3_657 no
H4 CL1 H5 82.0 5_657 5_657 5_657 no
H4 CL1 H6 75.5 5_657 5_657 5_657 no
H4 CL1 H6 55.5 5_657 5_657 5_657 no
H4 CL1 H7 140.4 5_657 5_657 5_657 no
H4 CL1 H7 107.8 5_657 5_657 5_657 no
H4 CL1 H8 67.5 5_657 5_657 5_657 no
H4 CL1 H8 133.6 5_657 5_657 5_657 no
H5 CL1 H6 29.4 2_456 2_456 2_456 no
H5 CL1 H6 29.4 2_456 2_456 2_456 no
H5 CL1 H7 72.1 2_456 2_456 2_456 no
H5 CL1 H7 72.1 2_456 2_456 2_456 no
H5 CL1 H8 134.1 2_456 2_456 2_456 no
H5 CL1 H8 134.0 2_456 2_456 2_456 no
H6 CL1 H6 24.3 2_456 2_456 2_456 no
H6 CL1 H7 93.8 2_456 2_456 2_456 no
H6 CL1 H7 101.4 2_456 2_456 2_456 no
H6 CL1 H8 142.6 2_456 2_456 2_456 no
H6 CL1 H8 119.6 2_456 2_456 2_456 no
H6 CL1 H7 101.4 8_456 8_456 8_456 no
H6 CL1 H7 93.8 8_456 8_456 8_456 no
H6 CL1 H8 119.6 8_456 8_456 8_456 no
H6 CL1 H8 142.6 8_456 8_456 8_456 no
H7 CL1 H7 36.1 3_656 3_656 3_656 no
H7 CL1 H8 110.9 3_656 3_656 3_656 no
H7 CL1 H8 85.1 3_656 3_656 3_656 no
H7 CL1 H8 85.1 5_656 5_656 5_656 no
H7 CL1 H8 110.9 5_656 5_656 5_656 no
H8 CL1 H8 91.0 . . . no
O2 O1 O2 127.4(2) . . . ?
O2 O1 O3 90.52(12) . . . ?
O2 O1 N1 66.72(11) . . . ?
O2 O1 N2 68.51(11) . . . ?
O2 O1 C1 63.72(11) . . . ?
O2 O1 C2 66.03(11) . . . ?
O2 O1 C3 63.75(11) . . . ?
O2 O1 C4 64.74(11) . . . ?
O2 O1 C5 115.57(11) . . . ?
O2 O1 C6 49.73(13) . . . ?
O2 O1 C6 149.8(2) . . . ?
O2 O1 C7 77.05(13) . . . ?
O2 O1 C8 62.9(1) . . . ?
O2 O1 C8 100.0(2) . . . ?
O2 O1 H1 75.8 . . . no
O2 O1 H3 114.1 . . . no
O2 O1 H4 104.0 . . . no
O2 O1 H4 128.5 . . . no
O2 O1 H5 36.0 . . . no
O2 O1 H5 149.7 . . . no
O2 O1 H6 63.3 . . . no
O2 O1 H6 149.7 . . . no
O2 O1 H7 47.0 . . . no
O2 O1 H7 110.5 . . . no
O2 O1 O3 90.54(12) 1_565 1_565 1_565 ?
O2 O1 N1 66.72(11) 1_565 1_565 1_565 ?
O2 O1 N2 68.54(11) 1_565 1_565 1_565 ?
O2 O1 C1 63.73(11) 1_565 1_565 1_565 ?
O2 O1 C2 66.05(11) 1_565 1_565 1_565 ?
O2 O1 C3 63.76(11) 1_565 1_565 1_565 ?
O2 O1 C4 64.74(11) 1_565 1_565 1_565 ?
O2 O1 C5 115.57(11) 1_565 1_565 1_565 ?
O2 O1 C6 149.8(2) 1_565 1_565 1_565 ?
O2 O1 C6 49.74(13) 1_565 1_565 1_565 ?
O2 O1 C7 77.03(13) 1_565 1_565 1_565 ?
O2 O1 C8 99.9(2) 1_565 1_565 1_565 ?
O2 O1 C8 62.9(1) 1_565 1_565 1_565 ?
O2 O1 H1 75.8 1_565 1_565 1_565 no
O2 O1 H3 114.1 1_565 1_565 1_565 no
O2 O1 H4 128.5 1_565 1_565 1_565 no
O2 O1 H4 104.0 1_565 1_565 1_565 no
O2 O1 H5 149.7 1_565 1_565 1_565 no
O2 O1 H5 36.0 1_565 1_565 1_565 no
O2 O1 H6 149.7 1_565 1_565 1_565 no
O2 O1 H6 63.3 1_565 1_565 1_565 no
O2 O1 H7 110.4 1_565 1_565 1_565 no
O2 O1 H7 46.9 1_565 1_565 1_565 no
O3 O1 N1 118.2(2) 4_654 4_654 4_654 ?
O3 O1 N2 56.9(2) 4_654 4_654 4_654 ?
O3 O1 C1 88.1(4) 4_654 4_654 4_654 ?
O3 O1 C2 67.6(2) 4_654 4_654 4_654 ?
O3 O1 C3 87.1(2) 4_654 4_654 4_654 ?
O3 O1 C4 106.9(2) 4_654 4_654 4_654 ?
O3 O1 C5 75.6(2) 4_654 4_654 4_654 ?
O3 O1 C6 61.06(11) 4_654 4_654 4_654 ?
O3 O1 C6 61.09(11) 4_654 4_654 4_654 ?
O3 O1 C7 150.8(3) 4_654 4_654 4_654 ?
O3 O1 C8 152.5(2) 4_654 4_654 4_654 ?
O3 O1 C8 152.5(2) 4_654 4_654 4_654 ?
O3 O1 H1 34.8 4_654 4_654 4_654 no
O3 O1 H3 65.8 4_654 4_654 4_654 no
O3 O1 H4 84.6 4_654 4_654 4_654 no
O3 O1 H4 84.6 4_654 4_654 4_654 no
O3 O1 H5 69.2 4_654 4_654 4_654 no
O3 O1 H5 69.2 4_654 4_654 4_654 no
O3 O1 H6 59.6 4_654 4_654 4_654 no
O3 O1 H6 59.6 4_654 4_654 4_654 no
O3 O1 H7 137.2 4_654 4_654 4_654 no
O3 O1 H7 137.2 4_654 4_654 4_654 no
N1 O1 N2 61.3(2) . . . ?
N1 O1 C1 30.1(4) . . . ?
N1 O1 C2 50.6(2) . . . ?
N1 O1 C3 31.1(2) . . . ?
N1 O1 C4 11.2(2) . . . ?
N1 O1 C5 166.3(3) . . . ?
N1 O1 C6 115.9(1) . . . ?
N1 O1 C6 115.9(1) . . . ?
N1 O1 C7 32.7(2) . . . ?
N1 O1 C8 46.9(2) . . . ?
N1 O1 C8 46.9(2) . . . ?
N1 O1 H1 83.4 . . . no
N1 O1 H3 176.1 . . . no
N1 O1 H4 154.4 . . . no
N1 O1 H4 154.4 . . . no
N1 O1 H5 102.4 . . . no
N1 O1 H5 102.4 . . . no
N1 O1 H6 129.9 . . . no
N1 O1 H6 129.9 . . . no
N1 O1 H7 48.4 . . . no
N1 O1 H7 48.4 . . . no
N2 O1 C1 31.2(4) . . . ?
N2 O1 C2 10.7(2) . . . ?
N2 O1 C3 30.2(2) . . . ?
N2 O1 C4 50.1(2) . . . ?
N2 O1 C5 132.4(3) . . . ?
N2 O1 C6 86.2(2) . . . ?
N2 O1 C6 86.2(2) . . . ?
N2 O1 C7 94.0(3) . . . ?
N2 O1 C8 103.5(2) . . . ?
N2 O1 C8 103.5(2) . . . ?
N2 O1 H1 22.1 . . . no
N2 O1 H3 122.6 . . . no
N2 O1 H4 139.8 . . . no
N2 O1 H4 139.8 . . . no
N2 O1 H5 81.4 . . . no
N2 O1 H5 81.4 . . . no
N2 O1 H6 96.1 . . . no
N2 O1 H6 96.1 . . . no
N2 O1 H7 95.7 . . . no
N2 O1 H7 95.7 . . . no
C1 O1 C2 20.5(4) . . . ?
C1 O1 C3 1.0(4) . . . ?
C1 O1 C4 18.9(4) . . . ?
C1 O1 C5 163.7(5) . . . ?
C1 O1 C6 102.7(2) . . . ?
C1 O1 C6 102.7(2) . . . ?
C1 O1 C7 62.7(4) . . . ?
C1 O1 C8 74.3(4) . . . ?
C1 O1 C8 74.3(4) . . . ?
C1 O1 H1 53.3 . . . no
C1 O1 H3 153.9 . . . no
C1 O1 H4 165.7 . . . no
C1 O1 H4 165.7 . . . no
C1 O1 H5 92.4 . . . no
C1 O1 H5 92.4 . . . no
C1 O1 H6 116.0 . . . no
C1 O1 H6 116.0 . . . no
C1 O1 H7 70.4 . . . no
C1 O1 H7 70.4 . . . no
C2 O1 C3 19.50(13) . . . ?
C2 O1 C4 39.4(2) . . . ?
C2 O1 C5 143.1(2) . . . ?
C2 O1 C6 91.9(1) . . . ?
C2 O1 C6 91.9(1) . . . ?
C2 O1 C7 83.3(2) . . . ?
C2 O1 C8 93.5(2) . . . ?
C2 O1 C8 93.5(2) . . . ?
C2 O1 H1 32.8 . . . no
C2 O1 H3 133.3 . . . no
C2 O1 H4 149.7 . . . no
C2 O1 H4 149.7 . . . no
C2 O1 H5 85.1 . . . no
C2 O1 H5 85.1 . . . no
C2 O1 H6 103.2 . . . no
C2 O1 H6 103.2 . . . no
C2 O1 H7 86.9 . . . no
C2 O1 H7 87.0 . . . no
C3 O1 C4 19.9(1) . . . ?
C3 O1 C5 162.6(2) . . . ?
C3 O1 C6 102.2(1) . . . ?
C3 O1 C6 102.2(1) . . . ?
C3 O1 C7 63.8(2) . . . ?
C3 O1 C8 75.2(2) . . . ?
C3 O1 C8 75.2(2) . . . ?
C3 O1 H1 52.3 . . . no
C3 O1 H3 152.8 . . . no
C3 O1 H4 165.2 . . . no
C3 O1 H4 165.2 . . . no
C3 O1 H5 92.0 . . . no
C3 O1 H5 92.0 . . . no
C3 O1 H6 115.4 . . . no
C3 O1 H6 115.5 . . . no
C3 O1 H7 71.2 . . . no
C3 O1 H7 71.2 . . . no
C4 O1 C5 177.5(2) . . . ?
C4 O1 C6 111.51(13) . . . ?
C4 O1 C6 111.52(13) . . . ?
C4 O1 C7 43.9(2) . . . ?
C4 O1 C8 56.9(2) . . . ?
C4 O1 C8 56.9(2) . . . ?
C4 O1 H1 72.1 . . . no
C4 O1 H3 172.7 . . . no
C4 O1 H4 163.3 . . . no
C4 O1 H4 163.3 . . . no
C4 O1 H5 98.9 . . . no
C4 O1 H5 98.9 . . . no
C4 O1 H6 125.7 . . . no
C4 O1 H6 125.7 . . . no
C4 O1 H7 56.0 . . . no
C4 O1 H7 56.0 . . . no
C5 O1 C6 69.58(13) 1_554 1_554 1_554 ?
C5 O1 C6 69.57(13) 1_554 1_554 1_554 ?
C5 O1 C7 133.6(3) 1_554 1_554 1_554 ?
C5 O1 C8 120.8(2) 1_554 1_554 1_554 ?
C5 O1 C8 120.8(2) 1_554 1_554 1_554 ?
C5 O1 H1 110.4 1_554 1_554 1_554 no
C5 O1 H3 9.8 1_554 1_554 1_554 no
C5 O1 H4 15.1 1_554 1_554 1_554 no
C5 O1 H4 15.1 1_554 1_554 1_554 no
C5 O1 H5 81.9 1_554 1_554 1_554 no
C5 O1 H5 81.9 1_554 1_554 1_554 no
C5 O1 H6 55.4 1_554 1_554 1_554 no
C5 O1 H6 55.4 1_554 1_554 1_554 no
C5 O1 H7 122.1 1_554 1_554 1_554 no
C5 O1 H7 122.1 1_554 1_554 1_554 no
C6 O1 C6 114.9(2) 4_654 4_654 4_654 ?
C6 O1 C7 122.51(10) 4_654 4_654 4_654 ?
C6 O1 C8 101.81(13) 4_654 4_654 4_654 ?
C6 O1 C8 142.7(2) 4_654 4_654 4_654 ?
C6 O1 H1 74.8 4_654 4_654 4_654 no
C6 O1 H3 65.6 4_654 4_654 4_654 no
C6 O1 H4 63.0 4_654 4_654 4_654 no
C6 O1 H4 84.5 4_654 4_654 4_654 no
C6 O1 H5 13.8 4_654 4_654 4_654 no
C6 O1 H5 127.0 4_654 4_654 4_654 no
C6 O1 H6 14.2 4_654 4_654 4_654 no
C6 O1 H6 105.4 4_654 4_654 4_654 no
C6 O1 H7 87.4 4_654 4_654 4_654 no
C6 O1 H7 157.7 4_654 4_654 4_654 no
C6 O1 C7 122.50(10) 4_664 4_664 4_664 ?
C6 O1 C8 142.7(2) 4_664 4_664 4_664 ?
C6 O1 C8 101.79(13) 4_664 4_664 4_664 ?
C6 O1 H1 74.8 4_664 4_664 4_664 no
C6 O1 H3 65.6 4_664 4_664 4_664 no
C6 O1 H4 84.5 4_664 4_664 4_664 no
C6 O1 H4 63.0 4_664 4_664 4_664 no
C6 O1 H5 127.0 4_664 4_664 4_664 no
C6 O1 H5 13.8 4_664 4_664 4_664 no
C6 O1 H6 105.4 4_664 4_664 4_664 no
C6 O1 H6 14.2 4_664 4_664 4_664 no
C6 O1 H7 157.7 4_664 4_664 4_664 no
C6 O1 H7 87.4 4_664 4_664 4_664 no
C7 O1 C8 22.9(1) . . . ?
C7 O1 C8 22.9(1) . . . ?
C7 O1 H1 116.0 . . . no
C7 O1 H3 143.4 . . . no
C7 O1 H4 123.8 . . . no
C7 O1 H4 123.8 . . . no
C7 O1 H5 109.7 . . . no
C7 O1 H5 109.7 . . . no
C7 O1 H6 131.6 . . . no
C7 O1 H6 131.6 . . . no
C7 O1 H7 35.3 . . . no
C7 O1 H7 35.3 . . . no
C8 O1 C8 41.0(2) . . . ?
C8 O1 H1 123.8 . . . no
C8 O1 H3 129.6 . . . no
C8 O1 H4 107.5 . . . no
C8 O1 H4 116.7 . . . no
C8 O1 H5 90.3 . . . no
C8 O1 H5 131.2 . . . no
C8 O1 H6 109.2 . . . no
C8 O1 H6 147.4 . . . no
C8 O1 H7 16.0 . . . no
C8 O1 H7 56.1 . . . no
C8 O1 H1 123.8 7 7 7 no
C8 O1 H3 129.6 7 7 7 no
C8 O1 H4 116.7 7 7 7 no
C8 O1 H4 107.5 7 7 7 no
C8 O1 H5 131.2 7 7 7 no
C8 O1 H5 90.2 7 7 7 no
C8 O1 H6 147.4 7 7 7 no
C8 O1 H6 109.2 7 7 7 no
C8 O1 H7 56.1 7 7 7 no
C8 O1 H7 16.0 7 7 7 no
H1 O1 H3 100.6 . . . no
H1 O1 H4 118.6 . . . no
H1 O1 H4 118.6 . . . no
H1 O1 H5 74.9 . . . no
H1 O1 H5 74.9 . . . no
H1 O1 H6 81.1 . . . no
H1 O1 H6 81.1 . . . no
H1 O1 H7 113.4 . . . no
H1 O1 H7 113.4 . . . no
H3 O1 H4 22.2 1_554 1_554 1_554 no
H3 O1 H4 22.2 1_554 1_554 1_554 no
H3 O1 H5 78.8 1_554 1_554 1_554 no
H3 O1 H5 78.8 1_554 1_554 1_554 no
H3 O1 H6 51.4 1_554 1_554 1_554 no
H3 O1 H6 51.4 1_554 1_554 1_554 no
H3 O1 H7 129.0 1_554 1_554 1_554 no
H3 O1 H7 129.0 1_554 1_554 1_554 no
H4 O1 H4 24.5 1_554 1_554 1_554 no
H4 O1 H5 73.5 1_554 1_554 1_554 no
H4 O1 H5 96.4 1_554 1_554 1_554 no
H4 O1 H6 49.7 1_554 1_554 1_554 no
H4 O1 H6 70.4 1_554 1_554 1_554 no
H4 O1 H7 107.3 1_554 1_554 1_554 no
H4 O1 H7 122.8 1_554 1_554 1_554 no
H4 O1 H5 96.4 7_554 7_554 7_554 no
H4 O1 H5 73.5 7_554 7_554 7_554 no
H4 O1 H6 70.4 7_554 7_554 7_554 no
H4 O1 H6 49.7 7_554 7_554 7_554 no
H4 O1 H7 122.8 7_554 7_554 7_554 no
H4 O1 H7 107.3 7_554 7_554 7_554 no
H5 O1 H5 137.9 4_654 4_654 4_654 no
H5 O1 H6 27.4 4_654 4_654 4_654 no
H5 O1 H6 118.6 4_654 4_654 4_654 no
H5 O1 H7 75.1 4_654 4_654 4_654 no
H5 O1 H7 144.8 4_654 4_654 4_654 no
H5 O1 H6 118.6 4_664 4_664 4_664 no
H5 O1 H6 27.4 4_664 4_664 4_664 no
H5 O1 H7 144.8 4_664 4_664 4_664 no
H5 O1 H7 75.1 4_664 4_664 4_664 no
H6 O1 H6 94.2 4_654 4_654 4_654 no
H6 O1 H7 96.5 4_654 4_654 4_654 no
H6 O1 H7 163.2 4_654 4_654 4_654 no
H6 O1 H7 163.2 6_654 6_654 6_654 no
H6 O1 H7 96.5 6_654 6_654 6_654 no
H7 O1 H7 70.3 . . . no
CL1 O2 O1 65.35(11) 3_646 3_646 3_646 ?
CL1 O2 O1 65.37(11) 3_646 3_646 3_646 ?
CL1 O2 O3 169.3(3) 3_646 3_646 3_646 ?
CL1 O2 O4 129.8(3) 3_646 3_646 3_646 ?
CL1 O2 N1 91.6(1) 3_646 3_646 3_646 ?
CL1 O2 N1 91.6(1) 3_646 3_646 3_646 ?
CL1 O2 N2 102.4(1) 3_646 3_646 3_646 ?
CL1 O2 N2 102.4(1) 3_646 3_646 3_646 ?
CL1 O2 N3 159.7(4) 3_646 3_646 3_646 ?
CL1 O2 C1 84.4(2) 3_646 3_646 3_646 ?
CL1 O2 C1 84.4(2) 3_646 3_646 3_646 ?
CL1 O2 C2 121.82(12) 3_646 3_646 3_646 ?
CL1 O2 C2 121.83(12) 3_646 3_646 3_646 ?
CL1 O2 C2 77.9(2) 3_646 3_646 3_646 ?
CL1 O2 C3 126.28(10) 3_646 3_646 3_646 ?
CL1 O2 C3 126.30(10) 3_646 3_646 3_646 ?
CL1 O2 C3 98.9(2) 3_646 3_646 3_646 ?
CL1 O2 C4 111.6(1) 3_646 3_646 3_646 ?
CL1 O2 C4 111.6(1) 3_646 3_646 3_646 ?
CL1 O2 C6 55.7(2) 3_646 3_646 3_646 ?
CL1 O2 C7 75.5(1) 3_646 3_646 3_646 ?
CL1 O2 C7 75.5(1) 3_646 3_646 3_646 ?
CL1 O2 C8 65.7(2) 3_646 3_646 3_646 ?
CL1 O2 C8 65.7(2) 3_646 3_646 3_646 ?
CL1 O2 H1 98.0 3_646 3_646 3_646 no
CL1 O2 H1 98.1 3_646 3_646 3_646 no
CL1 O2 H1 175.0 3_646 3_646 3_646 no
CL1 O2 H2 109.1 3_646 3_646 3_646 no
CL1 O2 H5 54.0 3_646 3_646 3_646 no
CL1 O2 H6 48.9 3_646 3_646 3_646 no
CL1 O2 H6 48.9 3_646 3_646 3_646 no
CL1 O2 H7 66.6 3_646 3_646 3_646 no
CL1 O2 H7 66.6 3_646 3_646 3_646 no
O1 O2 O1 127.4(2) . . . ?
O1 O2 O3 112.45(12) . . . ?
O1 O2 O4 112.50(12) . . . ?
O1 O2 N1 38.70(12) . . . ?
O1 O2 N1 154.9(2) . . . ?
O1 O2 N2 38.23(11) . . . ?
O1 O2 N2 150.2(2) . . . ?
O1 O2 N3 116.32(11) . . . ?
O1 O2 C1 19.94(13) . . . ?
O1 O2 C1 147.3(3) . . . ?
O1 O2 C2 56.60(11) . . . ?
O1 O2 C2 158.5(2) . . . ?
O1 O2 C2 76.44(12) . . . ?
O1 O2 C3 63.61(11) . . . ?
O1 O2 C3 168.4(2) . . . ?
O1 O2 C3 85.19(13) . . . ?
O1 O2 C4 57.52(13) . . . ?
O1 O2 C4 164.9(2) . . . ?
O1 O2 C6 68.93(12) . . . ?
O1 O2 C7 41.72(13) . . . ?
O1 O2 C7 134.3(2) . . . ?
O1 O2 C8 55.3(1) . . . ?
O1 O2 C8 116.2(2) . . . ?
O1 O2 H1 39.6 . . . no
O1 O2 H1 136.6 . . . no
O1 O2 H1 115.4 . . . no
O1 O2 H2 89.7 . . . no
O1 O2 H5 68.5 . . . no
O1 O2 H6 77.2 . . . no
O1 O2 H6 56.8 . . . no
O1 O2 H7 64.8 . . . no
O1 O2 H7 109.8 . . . no
O1 O2 O3 112.42(12) 1_545 1_545 1_545 ?
O1 O2 O4 112.51(12) 1_545 1_545 1_545 ?
O1 O2 N1 154.9(2) 1_545 1_545 1_545 ?
O1 O2 N1 38.71(12) 1_545 1_545 1_545 ?
O1 O2 N2 150.2(2) 1_545 1_545 1_545 ?
O1 O2 N2 38.23(11) 1_545 1_545 1_545 ?
O1 O2 N3 116.31(11) 1_545 1_545 1_545 ?
O1 O2 C1 147.2(3) 1_545 1_545 1_545 ?
O1 O2 C1 19.94(13) 1_545 1_545 1_545 ?
O1 O2 C2 158.5(2) 1_545 1_545 1_545 ?
O1 O2 C2 56.60(11) 1_545 1_545 1_545 ?
O1 O2 C2 76.43(12) 1_545 1_545 1_545 ?
O1 O2 C3 168.4(2) 1_545 1_545 1_545 ?
O1 O2 C3 63.61(11) 1_545 1_545 1_545 ?
O1 O2 C3 85.17(13) 1_545 1_545 1_545 ?
O1 O2 C4 164.9(2) 1_545 1_545 1_545 ?
O1 O2 C4 57.52(13) 1_545 1_545 1_545 ?
O1 O2 C6 68.93(12) 1_545 1_545 1_545 ?
O1 O2 C7 134.4(2) 1_545 1_545 1_545 ?
O1 O2 C7 41.73(13) 1_545 1_545 1_545 ?
O1 O2 C8 116.2(2) 1_545 1_545 1_545 ?
O1 O2 C8 55.3(1) 1_545 1_545 1_545 ?
O1 O2 H1 136.6 1_545 1_545 1_545 no
O1 O2 H1 39.6 1_545 1_545 1_545 no
O1 O2 H1 115.4 1_545 1_545 1_545 no
O1 O2 H2 89.7 1_545 1_545 1_545 no
O1 O2 H5 68.5 1_545 1_545 1_545 no
O1 O2 H6 56.8 1_545 1_545 1_545 no
O1 O2 H6 77.2 1_545 1_545 1_545 no
O1 O2 H7 109.8 1_545 1_545 1_545 no
O1 O2 H7 64.8 1_545 1_545 1_545 no
O3 O2 O4 60.9(2) . . . ?
O3 O2 N1 92.0(2) . . . ?
O3 O2 N1 92.0(2) . . . ?
O3 O2 N2 74.30(13) . . . ?
O3 O2 N2 74.27(13) . . . ?
O3 O2 N3 31.0(4) . . . ?
O3 O2 C1 94.9(2) . . . ?
O3 O2 C1 94.9(2) . . . ?
O3 O2 C2 56.29(11) . . . ?
O3 O2 C2 56.27(11) . . . ?
O3 O2 C2 91.3(2) . . . ?
O3 O2 C3 56.23(11) . . . ?
O3 O2 C3 56.21(11) . . . ?
O3 O2 C3 70.3(2) . . . ?
O3 O2 C4 73.3(2) . . . ?
O3 O2 C4 73.3(2) . . . ?
O3 O2 C6 113.6(3) . . . ?
O3 O2 C7 110.2(2) . . . ?
O3 O2 C7 110.2(2) . . . ?
O3 O2 C8 122.6(2) . . . ?
O3 O2 C8 122.5(2) . . . ?
O3 O2 H1 76.3 . . . no
O3 O2 H1 76.3 . . . no
O3 O2 H1 15.7 . . . no
O3 O2 H2 60.1 . . . no
O3 O2 H5 115.3 . . . no
O3 O2 H6 120.6 . . . no
O3 O2 H6 120.6 . . . no
O3 O2 H7 122.8 . . . no
O3 O2 H7 122.8 . . . no
O4 O2 N1 73.87(13) . . . ?
O4 O2 N1 73.87(13) . . . ?
O4 O2 N2 96.3(2) . . . ?
O4 O2 N2 96.3(2) . . . ?
O4 O2 N3 29.9(3) . . . ?
O4 O2 C1 96.1(2) . . . ?
O4 O2 C1 96.1(2) . . . ?
O4 O2 C2 79.3(2) . . . ?
O4 O2 C2 79.3(2) . . . ?
O4 O2 C2 152.2(3) . . . ?
O4 O2 C3 61.0(1) . . . ?
O4 O2 C3 61.0(1) . . . ?
O4 O2 C3 131.2(3) . . . ?
O4 O2 C4 56.98(13) . . . ?
O4 O2 C4 56.98(13) . . . ?
O4 O2 C6 174.5(3) . . . ?
O4 O2 C7 75.5(2) . . . ?
O4 O2 C7 75.4(2) . . . ?
O4 O2 C8 73.4(2) . . . ?
O4 O2 C8 73.4(2) . . . ?
O4 O2 H1 108.6 . . . no
O4 O2 H1 108.6 . . . no
O4 O2 H1 45.2 . . . no
O4 O2 H2 121.0 . . . no
O4 O2 H5 176.2 . . . no
O4 O2 H6 169.3 . . . no
O4 O2 H6 169.3 . . . no
O4 O2 H7 68.3 . . . no
O4 O2 H7 68.3 . . . no
N1 O2 N1 140.3(2) . . . ?
N1 O2 N2 40.10(11) . . . ?
N1 O2 N2 166.0(2) . . . ?
N1 O2 N3 81.7(2) . . . ?
N1 O2 C1 24.2(1) . . . ?
N1 O2 C1 163.1(2) . . . ?
N1 O2 C2 43.58(12) . . . ?
N1 O2 C2 146.0(2) . . . ?
N1 O2 C2 109.69(12) . . . ?
N1 O2 C3 35.89(12) . . . ?
N1 O2 C3 133.2(2) . . . ?
N1 O2 C3 109.27(11) . . . ?
N1 O2 C4 20.80(12) . . . ?
N1 O2 C4 129.9(2) . . . ?
N1 O2 C6 107.18(13) . . . ?
N1 O2 C7 21.15(11) . . . ?
N1 O2 C7 125.7(2) . . . ?
N1 O2 C8 40.43(12) . . . ?
N1 O2 C8 107.5(2) . . . ?
N1 O2 H1 52.4 . . . no
N1 O2 H1 164.1 . . . no
N1 O2 H1 86.7 . . . no
N1 O2 H2 108.1 . . . no
N1 O2 H5 106.9 . . . no
N1 O2 H6 115.9 . . . no
N1 O2 H6 95.4 . . . no
N1 O2 H7 48.3 . . . no
N1 O2 H7 97.9 . . . no
N1 O2 N2 166.0(2) 1_545 1_545 1_545 ?
N1 O2 N2 40.10(11) 1_545 1_545 1_545 ?
N1 O2 N3 81.7(2) 1_545 1_545 1_545 ?
N1 O2 C1 163.1(2) 1_545 1_545 1_545 ?
N1 O2 C1 24.2(1) 1_545 1_545 1_545 ?
N1 O2 C2 146.0(2) 1_545 1_545 1_545 ?
N1 O2 C2 43.57(12) 1_545 1_545 1_545 ?
N1 O2 C2 109.67(12) 1_545 1_545 1_545 ?
N1 O2 C3 133.2(2) 1_545 1_545 1_545 ?
N1 O2 C3 35.88(12) 1_545 1_545 1_545 ?
N1 O2 C3 109.25(11) 1_545 1_545 1_545 ?
N1 O2 C4 129.9(2) 1_545 1_545 1_545 ?
N1 O2 C4 20.80(12) 1_545 1_545 1_545 ?
N1 O2 C6 107.18(13) 1_545 1_545 1_545 ?
N1 O2 C7 125.7(2) 1_545 1_545 1_545 ?
N1 O2 C7 21.16(11) 1_545 1_545 1_545 ?
N1 O2 C8 107.5(2) 1_545 1_545 1_545 ?
N1 O2 C8 40.45(12) 1_545 1_545 1_545 ?
N1 O2 H1 164.1 1_545 1_545 1_545 no
N1 O2 H1 52.4 1_545 1_545 1_545 no
N1 O2 H1 86.7 1_545 1_545 1_545 no
N1 O2 H2 108.1 1_545 1_545 1_545 no
N1 O2 H5 106.9 1_545 1_545 1_545 no
N1 O2 H6 95.4 1_545 1_545 1_545 no
N1 O2 H6 115.9 1_545 1_545 1_545 no
N1 O2 H7 97.9 1_545 1_545 1_545 no
N1 O2 H7 48.4 1_545 1_545 1_545 no
N2 O2 N2 134.5(2) . . . ?
N2 O2 N3 84.8(2) . . . ?
N2 O2 C1 23.97(13) . . . ?
N2 O2 C1 156.8(2) . . . ?
N2 O2 C2 20.11(12) . . . ?
N2 O2 C2 125.8(2) . . . ?
N2 O2 C2 74.39(12) . . . ?
N2 O2 C3 35.35(13) . . . ?
N2 O2 C3 130.5(2) . . . ?
N2 O2 C3 69.48(11) . . . ?
N2 O2 C4 43.71(13) . . . ?
N2 O2 C4 145.4(2) . . . ?
N2 O2 C6 81.71(13) . . . ?
N2 O2 C7 58.82(11) . . . ?
N2 O2 C7 165.8(2) . . . ?
N2 O2 C8 78.34(12) . . . ?
N2 O2 C8 147.0(2) . . . ?
N2 O2 H1 13.8 . . . no
N2 O2 H1 124.7 . . . no
N2 O2 H1 79.3 . . . no
N2 O2 H2 68.1 . . . no
N2 O2 H5 82.3 . . . no
N2 O2 H6 94.3 . . . no
N2 O2 H6 74.8 . . . no
N2 O2 H7 87.3 . . . no
N2 O2 H7 137.7 . . . no
N2 O2 N3 84.8(2) 1_545 1_545 1_545 ?
N2 O2 C1 156.8(2) 1_545 1_545 1_545 ?
N2 O2 C1 23.97(13) 1_545 1_545 1_545 ?
N2 O2 C2 125.8(2) 1_545 1_545 1_545 ?
N2 O2 C2 20.10(12) 1_545 1_545 1_545 ?
N2 O2 C2 74.38(12) 1_545 1_545 1_545 ?
N2 O2 C3 130.5(2) 1_545 1_545 1_545 ?
N2 O2 C3 35.34(13) 1_545 1_545 1_545 ?
N2 O2 C3 69.46(11) 1_545 1_545 1_545 ?
N2 O2 C4 145.4(2) 1_545 1_545 1_545 ?
N2 O2 C4 43.70(13) 1_545 1_545 1_545 ?
N2 O2 C6 81.70(13) 1_545 1_545 1_545 ?
N2 O2 C7 165.8(2) 1_545 1_545 1_545 ?
N2 O2 C7 58.83(11) 1_545 1_545 1_545 ?
N2 O2 C8 147.0(2) 1_545 1_545 1_545 ?
N2 O2 C8 78.35(12) 1_545 1_545 1_545 ?
N2 O2 H1 124.7 1_545 1_545 1_545 no
N2 O2 H1 13.8 1_545 1_545 1_545 no
N2 O2 H1 79.3 1_545 1_545 1_545 no
N2 O2 H2 68.0 1_545 1_545 1_545 no
N2 O2 H5 82.3 1_545 1_545 1_545 no
N2 O2 H6 74.8 1_545 1_545 1_545 no
N2 O2 H6 94.3 1_545 1_545 1_545 no
N2 O2 H7 137.7 1_545 1_545 1_545 no
N2 O2 H7 87.3 1_545 1_545 1_545 no
N3 O2 C1 96.4(2) . . . ?
N3 O2 C1 96.4(2) . . . ?
N3 O2 C2 64.8(2) . . . ?
N3 O2 C2 64.8(2) . . . ?
N3 O2 C2 122.3(5) . . . ?
N3 O2 C3 52.94(11) . . . ?
N3 O2 C3 52.93(11) . . . ?
N3 O2 C3 101.3(4) . . . ?
N3 O2 C4 61.0(2) . . . ?
N3 O2 C4 61.0(2) . . . ?
N3 O2 C6 144.6(5) . . . ?
N3 O2 C7 92.8(3) . . . ?
N3 O2 C7 92.8(3) . . . ?
N3 O2 C8 98.0(4) . . . ?
N3 O2 C8 98.0(4) . . . ?
N3 O2 H1 93.0 . . . no
N3 O2 H1 93.0 . . . no
N3 O2 H1 15.3 . . . no
N3 O2 H2 91.2 . . . no
N3 O2 H5 146.3 . . . no
N3 O2 H6 150.4 . . . no
N3 O2 H6 150.5 . . . no
N3 O2 H7 95.3 . . . no
N3 O2 H7 95.3 . . . no
C1 O2 C1 167.0(4) . . . ?
C1 O2 C2 38.7(2) . . . ?
C1 O2 C2 149.4(2) . . . ?
C1 O2 C2 85.6(2) . . . ?
C1 O2 C3 43.7(2) . . . ?
C1 O2 C3 148.8(2) . . . ?
C1 O2 C3 87.6(2) . . . ?
C1 O2 C4 39.3(2) . . . ?
C1 O2 C4 153.1(3) . . . ?
C1 O2 C6 84.1(2) . . . ?
C1 O2 C7 37.4(2) . . . ?
C1 O2 C7 143.8(2) . . . ?
C1 O2 C8 55.9(2) . . . ?
C1 O2 C8 124.1(2) . . . ?
C1 O2 H1 32.2 . . . no
C1 O2 H1 144.4 . . . no
C1 O2 H1 95.9 . . . no
C1 O2 H2 88.7 . . . no
C1 O2 H5 84.0 . . . no
C1 O2 H6 94.3 . . . no
C1 O2 H6 73.3 . . . no
C1 O2 H7 65.4 . . . no
C1 O2 H7 115.5 . . . no
C1 O2 C2 149.4(2) 1_545 1_545 1_545 ?
C1 O2 C2 38.7(2) 1_545 1_545 1_545 ?
C1 O2 C2 85.6(2) 1_545 1_545 1_545 ?
C1 O2 C3 148.8(2) 1_545 1_545 1_545 ?
C1 O2 C3 43.7(2) 1_545 1_545 1_545 ?
C1 O2 C3 87.6(2) 1_545 1_545 1_545 ?
C1 O2 C4 153.1(3) 1_545 1_545 1_545 ?
C1 O2 C4 39.3(2) 1_545 1_545 1_545 ?
C1 O2 C6 84.1(2) 1_545 1_545 1_545 ?
C1 O2 C7 143.8(2) 1_545 1_545 1_545 ?
C1 O2 C7 37.4(2) 1_545 1_545 1_545 ?
C1 O2 C8 124.2(2) 1_545 1_545 1_545 ?
C1 O2 C8 56.0(2) 1_545 1_545 1_545 ?
C1 O2 H1 144.4 1_545 1_545 1_545 no
C1 O2 H1 32.2 1_545 1_545 1_545 no
C1 O2 H1 95.9 1_545 1_545 1_545 no
C1 O2 H2 88.7 1_545 1_545 1_545 no
C1 O2 H5 84.0 1_545 1_545 1_545 no
C1 O2 H6 73.3 1_545 1_545 1_545 no
C1 O2 H6 94.3 1_545 1_545 1_545 no
C1 O2 H7 115.6 1_545 1_545 1_545 no
C1 O2 H7 65.4 1_545 1_545 1_545 no
C2 O2 C2 111.4(2) . . . ?
C2 O2 C2 85.17(11) . . . ?
C2 O2 C3 19.80(13) . . . ?
C2 O2 C3 111.8(2) . . . ?
C2 O2 C3 73.84(13) . . . ?
C2 O2 C4 36.2(1) . . . ?
C2 O2 C4 125.3(2) . . . ?
C2 O2 C6 97.6(2) . . . ?
C2 O2 C7 64.71(12) . . . ?
C2 O2 C7 154.8(2) . . . ?
C2 O2 C8 83.89(13) . . . ?
C2 O2 C8 145.7(2) . . . ?
C2 O2 H1 29.6 . . . no
C2 O2 H1 120.7 . . . no
C2 O2 H1 59.5 . . . no
C2 O2 H2 68.9 . . . no
C2 O2 H5 98.6 . . . no
C2 O2 H6 110.6 . . . no
C2 O2 H6 92.9 . . . no
C2 O2 H7 91.1 . . . no
C2 O2 H7 136.3 . . . no
C2 O2 C2 85.16(11) 1_545 1_545 1_545 ?
C2 O2 C3 111.8(2) 1_545 1_545 1_545 ?
C2 O2 C3 19.79(13) 1_545 1_545 1_545 ?
C2 O2 C3 73.82(13) 1_545 1_545 1_545 ?
C2 O2 C4 125.3(2) 1_545 1_545 1_545 ?
C2 O2 C4 36.2(1) 1_545 1_545 1_545 ?
C2 O2 C6 97.6(2) 1_545 1_545 1_545 ?
C2 O2 C7 154.8(2) 1_545 1_545 1_545 ?
C2 O2 C7 64.71(12) 1_545 1_545 1_545 ?
C2 O2 C8 145.7(2) 1_545 1_545 1_545 ?
C2 O2 C8 83.90(13) 1_545 1_545 1_545 ?
C2 O2 H1 120.7 1_545 1_545 1_545 no
C2 O2 H1 29.6 1_545 1_545 1_545 no
C2 O2 H1 59.5 1_545 1_545 1_545 no
C2 O2 H2 68.8 1_545 1_545 1_545 no
C2 O2 H5 98.6 1_545 1_545 1_545 no
C2 O2 H6 92.9 1_545 1_545 1_545 no
C2 O2 H6 110.6 1_545 1_545 1_545 no
C2 O2 H7 136.4 1_545 1_545 1_545 no
C2 O2 H7 91.1 1_545 1_545 1_545 no
C2 O2 C3 104.95(13) 4_654 4_654 4_654 ?
C2 O2 C3 104.94(13) 4_654 4_654 4_654 ?
C2 O2 C3 21.01(13) 4_654 4_654 4_654 ?
C2 O2 C4 118.07(13) 4_654 4_654 4_654 ?
C2 O2 C4 118.05(13) 4_654 4_654 4_654 ?
C2 O2 C6 22.2(2) 4_654 4_654 4_654 ?
C2 O2 C7 118.2(1) 4_654 4_654 4_654 ?
C2 O2 C7 118.1(1) 4_654 4_654 4_654 ?
C2 O2 C8 127.8(2) 4_654 4_654 4_654 ?
C2 O2 C8 127.8(2) 4_654 4_654 4_654 ?
C2 O2 H1 60.6 4_654 4_654 4_654 no
C2 O2 H1 60.6 4_654 4_654 4_654 no
C2 O2 H1 107.0 4_654 4_654 4_654 no
C2 O2 H2 31.2 4_654 4_654 4_654 no
C2 O2 H5 23.9 4_654 4_654 4_654 no
C2 O2 H6 31.5 4_654 4_654 4_654 no
C2 O2 H6 31.5 4_654 4_654 4_654 no
C2 O2 H7 135.3 4_654 4_654 4_654 no
C2 O2 H7 135.3 4_654 4_654 4_654 no
C3 O2 C3 105.2(2) . . . ?
C3 O2 C3 92.50(11) . . . ?
C3 O2 C4 20.13(13) . . . ?
C3 O2 C4 113.1(2) . . . ?
C3 O2 C6 116.5(1) . . . ?
C3 O2 C7 55.55(13) . . . ?
C3 O2 C7 135.6(2) . . . ?
C3 O2 C8 72.4(1) . . . ?
C3 O2 C8 126.4(2) . . . ?
C3 O2 H1 47.7 . . . no
C3 O2 H1 130.8 . . . no
C3 O2 H1 53.0 . . . no
C3 O2 H2 86.3 . . . no
C3 O2 H5 117.3 . . . no
C3 O2 H6 129.3 . . . no
C3 O2 H6 110.2 . . . no
C3 O2 H7 77.6 . . . no
C3 O2 H7 117.5 . . . no
C3 O2 C3 92.48(11) 1_545 1_545 1_545 ?
C3 O2 C4 113.1(2) 1_545 1_545 1_545 ?
C3 O2 C4 20.12(13) 1_545 1_545 1_545 ?
C3 O2 C6 116.5(1) 1_545 1_545 1_545 ?
C3 O2 C7 135.7(2) 1_545 1_545 1_545 ?
C3 O2 C7 55.55(13) 1_545 1_545 1_545 ?
C3 O2 C8 126.4(2) 1_545 1_545 1_545 ?
C3 O2 C8 72.4(1) 1_545 1_545 1_545 ?
C3 O2 H1 130.8 1_545 1_545 1_545 no
C3 O2 H1 47.7 1_545 1_545 1_545 no
C3 O2 H1 53.0 1_545 1_545 1_545 no
C3 O2 H2 86.3 1_545 1_545 1_545 no
C3 O2 H5 117.3 1_545 1_545 1_545 no
C3 O2 H6 110.2 1_545 1_545 1_545 no
C3 O2 H6 129.3 1_545 1_545 1_545 no
C3 O2 H7 117.6 1_545 1_545 1_545 no
C3 O2 H7 77.6 1_545 1_545 1_545 no
C3 O2 C4 109.9(1) 4_654 4_654 4_654 ?
C3 O2 C4 109.9(1) 4_654 4_654 4_654 ?
C3 O2 C6 43.3(2) 4_654 4_654 4_654 ?
C3 O2 C7 124.65(11) 4_654 4_654 4_654 ?
C3 O2 C7 124.63(11) 4_654 4_654 4_654 ?
C3 O2 C8 140.4(2) 4_654 4_654 4_654 ?
C3 O2 C8 140.4(2) 4_654 4_654 4_654 ?
C3 O2 H1 56.8 4_654 4_654 4_654 no
C3 O2 H1 56.8 4_654 4_654 4_654 no
C3 O2 H1 86.0 4_654 4_654 4_654 no
C3 O2 H2 10.2 4_654 4_654 4_654 no
C3 O2 H5 45.0 4_654 4_654 4_654 no
C3 O2 H6 51.7 4_654 4_654 4_654 no
C3 O2 H6 51.7 4_654 4_654 4_654 no
C3 O2 H7 149.8 4_654 4_654 4_654 no
C3 O2 H7 149.8 4_654 4_654 4_654 no
C4 O2 C4 113.9(3) . . . ?
C4 O2 C6 122.68(13) . . . ?
C4 O2 C7 37.0(2) . . . ?
C4 O2 C7 123.5(2) . . . ?
C4 O2 C8 52.5(2) . . . ?
C4 O2 C8 109.7(2) . . . ?
C4 O2 H1 57.5 . . . no
C4 O2 H1 149.6 . . . no
C4 O2 H1 66.3 . . . no
C4 O2 H2 105.0 . . . no
C4 O2 H5 122.8 . . . no
C4 O2 H6 133.5 . . . no
C4 O2 H6 112.6 . . . no
C4 O2 H7 57.5 . . . no
C4 O2 H7 100.2 . . . no
C4 O2 C6 122.68(13) 1_545 1_545 1_545 ?
C4 O2 C7 123.5(2) 1_545 1_545 1_545 ?
C4 O2 C7 37.0(2) 1_545 1_545 1_545 ?
C4 O2 C8 109.7(2) 1_545 1_545 1_545 ?
C4 O2 C8 52.5(2) 1_545 1_545 1_545 ?
C4 O2 H1 149.6 1_545 1_545 1_545 no
C4 O2 H1 57.5 1_545 1_545 1_545 no
C4 O2 H1 66.3 1_545 1_545 1_545 no
C4 O2 H2 105.0 1_545 1_545 1_545 no
C4 O2 H5 122.8 1_545 1_545 1_545 no
C4 O2 H6 112.6 1_545 1_545 1_545 no
C4 O2 H6 133.5 1_545 1_545 1_545 no
C4 O2 H7 100.2 1_545 1_545 1_545 no
C4 O2 H7 57.5 1_545 1_545 1_545 no
C6 O2 C7 107.6(2) 4_654 4_654 4_654 ?
C6 O2 C7 107.6(2) 4_654 4_654 4_654 ?
C6 O2 C8 111.0(2) 4_654 4_654 4_654 ?
C6 O2 C8 111.0(2) 4_654 4_654 4_654 ?
C6 O2 H1 68.9 4_654 4_654 4_654 no
C6 O2 H1 68.9 4_654 4_654 4_654 no
C6 O2 H1 129.3 4_654 4_654 4_654 no
C6 O2 H2 53.4 4_654 4_654 4_654 no
C6 O2 H5 1.7 4_654 4_654 4_654 no
C6 O2 H6 12.9 4_654 4_654 4_654 no
C6 O2 H6 12.9 4_654 4_654 4_654 no
C6 O2 H7 116.5 4_654 4_654 4_654 no
C6 O2 H7 116.5 4_654 4_654 4_654 no
C7 O2 C7 107.5(2) . . . ?
C7 O2 C8 19.68(10) . . . ?
C7 O2 C8 88.2(2) . . . ?
C7 O2 H1 69.3 . . . no
C7 O2 H1 173.5 . . . no
C7 O2 H1 101.7 . . . no
C7 O2 H2 126.1 . . . no
C7 O2 H5 106.6 . . . no
C7 O2 H6 112.0 . . . no
C7 O2 H6 94.6 . . . no
C7 O2 H7 28.5 . . . no
C7 O2 H7 79.0 . . . no
C7 O2 C8 88.2(2) 1_545 1_545 1_545 ?
C7 O2 C8 19.69(10) 1_545 1_545 1_545 ?
C7 O2 H1 173.5 1_545 1_545 1_545 no
C7 O2 H1 69.3 1_545 1_545 1_545 no
C7 O2 H1 101.7 1_545 1_545 1_545 no
C7 O2 H2 126.0 1_545 1_545 1_545 no
C7 O2 H5 106.6 1_545 1_545 1_545 no
C7 O2 H6 94.6 1_545 1_545 1_545 no
C7 O2 H6 112.0 1_545 1_545 1_545 no
C7 O2 H7 79.0 1_545 1_545 1_545 no
C7 O2 H7 28.5 1_545 1_545 1_545 no
C8 O2 C8 68.7(2) . . . ?
C8 O2 H1 88.1 . . . no
C8 O2 H1 155.4 . . . no
C8 O2 H1 110.4 . . . no
C8 O2 H2 144.2 . . . no
C8 O2 H5 109.7 . . . no
C8 O2 H6 110.8 . . . no
C8 O2 H6 98.6 . . . no
C8 O2 H7 9.7 . . . no
C8 O2 H7 59.7 . . . no
C8 O2 H1 155.4 7_545 7_545 7_545 no
C8 O2 H1 88.1 7_545 7_545 7_545 no
C8 O2 H1 110.4 7_545 7_545 7_545 no
C8 O2 H2 144.2 7_545 7_545 7_545 no
C8 O2 H5 109.7 7_545 7_545 7_545 no
C8 O2 H6 98.6 7_545 7_545 7_545 no
C8 O2 H6 110.8 7_545 7_545 7_545 no
C8 O2 H7 59.7 7_545 7_545 7_545 no
C8 O2 H7 9.7 7_545 7_545 7_545 no
H1 O2 H1 113.3 . . . no
H1 O2 H1 84.6 . . . no
H1 O2 H2 56.8 . . . no
H1 O2 H5 69.6 . . . no
H1 O2 H6 81.7 . . . no
H1 O2 H6 63.3 . . . no
H1 O2 H7 97.6 . . . no
H1 O2 H7 147.5 . . . no
H1 O2 H1 84.6 1_545 1_545 1_545 no
H1 O2 H2 56.7 1_545 1_545 1_545 no
H1 O2 H5 69.6 1_545 1_545 1_545 no
H1 O2 H6 63.3 1_545 1_545 1_545 no
H1 O2 H6 81.7 1_545 1_545 1_545 no
H1 O2 H7 147.6 1_545 1_545 1_545 no
H1 O2 H7 97.6 1_545 1_545 1_545 no
H1 O2 H2 75.8 4_655 4_655 4_655 no
H1 O2 H5 131.0 4_655 4_655 4_655 no
H1 O2 H6 135.9 4_655 4_655 4_655 no
H1 O2 H6 135.9 4_655 4_655 4_655 no
H1 O2 H7 109.0 4_655 4_655 4_655 no
H1 O2 H7 109.0 4_655 4_655 4_655 no
H2 O2 H5 55.1 4_654 4_654 4_654 no
H2 O2 H6 61.6 4_654 4_654 4_654 no
H2 O2 H6 61.6 4_654 4_654 4_654 no
H2 O2 H7 153.9 4_654 4_654 4_654 no
H2 O2 H7 153.9 4_654 4_654 4_654 no
H5 O2 H6 12.0 4_654 4_654 4_654 no
H5 O2 H6 12.0 4_654 4_654 4_654 no
H5 O2 H7 115.0 4_654 4_654 4_654 no
H5 O2 H7 115.0 4_654 4_654 4_654 no
H6 O2 H6 21.0 6_644 6_644 6_644 no
H6 O2 H7 114.2 6_644 6_644 6_644 no
H6 O2 H7 104.8 6_644 6_644 6_644 no
H6 O2 H7 104.8 4_654 4_654 4_654 no
H6 O2 H7 114.2 4_654 4_654 4_654 no
H7 O2 H7 50.5 . . . no
O1 O3 O2 164.8(3) 4_655 4_655 4_655 ?
O1 O3 O4 136.1(3) 4_655 4_655 4_655 ?
O1 O3 N2 105.04(12) 4_655 4_655 4_655 ?
O1 O3 N2 105.02(12) 4_655 4_655 4_655 ?
O1 O3 N2 42.9(2) 4_655 4_655 4_655 ?
O1 O3 N3 165.6(5) 4_655 4_655 4_655 ?
O1 O3 C1 124.55(10) 4_655 4_655 4_655 ?
O1 O3 C1 124.52(10) 4_655 4_655 4_655 ?
O1 O3 C1 20.38(12) 4_655 4_655 4_655 ?
O1 O3 C2 88.3(2) 4_655 4_655 4_655 ?
O1 O3 C2 88.3(2) 4_655 4_655 4_655 ?
O1 O3 C2 58.7(1) 4_655 4_655 4_655 ?
O1 O3 C3 93.1(1) 4_655 4_655 4_655 ?
O1 O3 C3 93.0(1) 4_655 4_655 4_655 ?
O1 O3 C3 90.3(2) 4_655 4_655 4_655 ?
O1 O3 C4 113.0(1) 4_655 4_655 4_655 ?
O1 O3 C4 113.0(1) 4_655 4_655 4_655 ?
O1 O3 C6 65.71(12) 4_655 4_655 4_655 ?
O1 O3 C6 65.69(12) 4_655 4_655 4_655 ?
O1 O3 C6 81.0(2) 4_655 4_655 4_655 ?
O1 O3 H1 100.4 4_655 4_655 4_655 no
O1 O3 H1 100.3 4_655 4_655 4_655 no
O1 O3 H1 48.6 4_655 4_655 4_655 no
O1 O3 H2 81.3 4_655 4_655 4_655 no
O1 O3 H2 81.3 4_655 4_655 4_655 no
O1 O3 H2 91.8 4_655 4_655 4_655 no
O1 O3 H3 46.7 4_655 4_655 4_655 no
O1 O3 H5 56.6 4_655 4_655 4_655 no
O1 O3 H5 56.5 4_655 4_655 4_655 no
O1 O3 H5 132.3 4_655 4_655 4_655 no
O1 O3 H6 61.9 4_655 4_655 4_655 no
O1 O3 H6 61.9 4_655 4_655 4_655 no
O1 O3 H6 88.8 4_655 4_655 4_655 no
O1 O3 H6 88.8 4_655 4_655 4_655 no
O2 O3 O4 59.2(2) . . . ?
O2 O3 N2 69.99(12) . . . ?
O2 O3 N2 70.01(13) . . . ?
O2 O3 N2 152.3(3) . . . ?
O2 O3 N3 29.6(4) . . . ?
O2 O3 C1 52.85(10) . . . ?
O2 O3 C1 52.87(10) . . . ?
O2 O3 C1 174.8(3) . . . ?
O2 O3 C2 89.9(2) . . . ?
O2 O3 C2 89.9(2) . . . ?
O2 O3 C2 136.5(3) . . . ?
O2 O3 C3 91.4(2) . . . ?
O2 O3 C3 91.5(2) . . . ?
O2 O3 C3 74.4(2) . . . ?
O2 O3 C4 73.8(2) . . . ?
O2 O3 C4 73.9(2) . . . ?
O2 O3 C6 109.4(2) . . . ?
O2 O3 C6 109.4(2) . . . ?
O2 O3 C6 114.3(2) . . . ?
O2 O3 H1 71.4 . . . no
O2 O3 H1 71.5 . . . no
O2 O3 H1 146.6 . . . no
O2 O3 H2 105.2 . . . no
O2 O3 H2 105.2 . . . no
O2 O3 H2 72.9 . . . no
O2 O3 H3 118.0 . . . no
O2 O3 H5 121.3 . . . no
O2 O3 H5 121.3 . . . no
O2 O3 H5 32.4 . . . no
O2 O3 H6 109.4 . . . no
O2 O3 H6 109.4 . . . no
O2 O3 H6 106.1 . . . no
O2 O3 H6 106.1 . . . no
O4 O3 N2 93.2(1) . . . ?
O4 O3 N2 93.2(1) . . . ?
O4 O3 N2 93.1(2) . . . ?
O4 O3 N3 29.6(4) . . . ?
O4 O3 C1 75.0(2) . . . ?
O4 O3 C1 75.0(2) . . . ?
O4 O3 C1 115.7(3) . . . ?
O4 O3 C2 95.7(2) . . . ?
O4 O3 C2 95.7(2) . . . ?
O4 O3 C2 77.3(2) . . . ?
O4 O3 C3 76.1(1) . . . ?
O4 O3 C3 76.1(1) . . . ?
O4 O3 C3 133.6(3) . . . ?
O4 O3 C4 57.17(11) . . . ?
O4 O3 C4 57.20(11) . . . ?
O4 O3 C6 117.82(11) . . . ?
O4 O3 C6 117.84(11) . . . ?
O4 O3 C6 55.1(2) . . . ?
O4 O3 H1 104.6 . . . no
O4 O3 H1 104.7 . . . no
O4 O3 H1 87.5 . . . no
O4 O3 H2 78.6 . . . no
O4 O3 H2 78.6 . . . no
O4 O3 H2 132.1 . . . no
O4 O3 H3 177.2 . . . no
O4 O3 H5 115.5 . . . no
O4 O3 H5 115.5 . . . no
O4 O3 H5 91.6 . . . no
O4 O3 H6 131.5 . . . no
O4 O3 H6 131.5 . . . no
O4 O3 H6 48.2 . . . no
O4 O3 H6 48.2 . . . no
N2 O3 N2 128.4(2) . . . ?
N2 O3 N2 115.34(11) . . . ?
N2 O3 N3 80.5(2) . . . ?
N2 O3 C1 20.23(11) . . . ?
N2 O3 C1 119.5(2) . . . ?
N2 O3 C1 111.41(12) . . . ?
N2 O3 C2 22.2(1) . . . ?
N2 O3 C2 149.6(3) . . . ?
N2 O3 C2 115.68(11) . . . ?
N2 O3 C3 39.4(1) . . . ?
N2 O3 C3 161.4(2) . . . ?
N2 O3 C3 69.46(12) . . . ?
N2 O3 C4 43.4(1) . . . ?
N2 O3 C4 141.9(2) . . . ?
N2 O3 C6 39.70(13) . . . ?
N2 O3 C6 144.2(2) . . . ?
N2 O3 C6 112.69(12) . . . ?
N2 O3 H1 13.4 . . . no
N2 O3 H1 119.6 . . . no
N2 O3 H1 115.7 . . . no
N2 O3 H2 53.0 . . . no
N2 O3 H2 171.8 . . . no
N2 O3 H2 69.1 . . . no
N2 O3 H3 85.6 . . . no
N2 O3 H5 51.4 . . . no
N2 O3 H5 151.2 . . . no
N2 O3 H5 64.3 . . . no
N2 O3 H6 44.4 . . . no
N2 O3 H6 129.3 . . . no
N2 O3 H6 121.2 . . . no
N2 O3 H6 100.3 . . . no
N2 O3 N2 115.33(11) 1_545 1_545 1_545 ?
N2 O3 N3 80.5(2) 1_545 1_545 1_545 ?
N2 O3 C1 119.5(2) 1_545 1_545 1_545 ?
N2 O3 C1 20.24(11) 1_545 1_545 1_545 ?
N2 O3 C1 111.38(12) 1_545 1_545 1_545 ?
N2 O3 C2 149.6(3) 1_545 1_545 1_545 ?
N2 O3 C2 22.2(1) 1_545 1_545 1_545 ?
N2 O3 C2 115.67(11) 1_545 1_545 1_545 ?
N2 O3 C3 161.4(2) 1_545 1_545 1_545 ?
N2 O3 C3 39.4(1) 1_545 1_545 1_545 ?
N2 O3 C3 69.45(12) 1_545 1_545 1_545 ?
N2 O3 C4 141.9(2) 1_545 1_545 1_545 ?
N2 O3 C4 43.4(1) 1_545 1_545 1_545 ?
N2 O3 C6 144.2(2) 1_545 1_545 1_545 ?
N2 O3 C6 39.70(13) 1_545 1_545 1_545 ?
N2 O3 C6 112.70(12) 1_545 1_545 1_545 ?
N2 O3 H1 119.6 1_545 1_545 1_545 no
N2 O3 H1 13.4 1_545 1_545 1_545 no
N2 O3 H1 115.7 1_545 1_545 1_545 no
N2 O3 H2 171.8 1_545 1_545 1_545 no
N2 O3 H2 53.0 1_545 1_545 1_545 no
N2 O3 H2 69.0 1_545 1_545 1_545 no
N2 O3 H3 85.6 1_545 1_545 1_545 no
N2 O3 H5 151.2 1_545 1_545 1_545 no
N2 O3 H5 51.4 1_545 1_545 1_545 no
N2 O3 H5 64.3 1_545 1_545 1_545 no
N2 O3 H6 129.3 1_545 1_545 1_545 no
N2 O3 H6 44.4 1_545 1_545 1_545 no
N2 O3 H6 100.3 1_545 1_545 1_545 no
N2 O3 H6 121.2 1_545 1_545 1_545 no
N2 O3 N3 122.7(5) 4_655 4_655 4_655 ?
N2 O3 C1 124.22(13) 4_655 4_655 4_655 ?
N2 O3 C1 124.21(13) 4_655 4_655 4_655 ?
N2 O3 C1 22.6(2) 4_655 4_655 4_655 ?
N2 O3 C2 93.2(2) 4_655 4_655 4_655 ?
N2 O3 C2 93.2(2) 4_655 4_655 4_655 ?
N2 O3 C2 15.8(1) 4_655 4_655 4_655 ?
N2 O3 C3 80.8(2) 4_655 4_655 4_655 ?
N2 O3 C3 80.8(2) 4_655 4_655 4_655 ?
N2 O3 C3 133.3(2) 4_655 4_655 4_655 ?
N2 O3 C4 91.7(2) 4_655 4_655 4_655 ?
N2 O3 C4 91.7(2) 4_655 4_655 4_655 ?
N2 O3 C6 82.3(2) 4_655 4_655 4_655 ?
N2 O3 C6 82.3(2) 4_655 4_655 4_655 ?
N2 O3 C6 38.0(2) 4_655 4_655 4_655 ?
N2 O3 H1 120.5 4_655 4_655 4_655 no
N2 O3 H1 120.5 4_655 4_655 4_655 no
N2 O3 H1 5.7 4_655 4_655 4_655 no
N2 O3 H2 65.6 4_655 4_655 4_655 no
N2 O3 H2 65.6 4_655 4_655 4_655 no
N2 O3 H2 134.8 4_655 4_655 4_655 no
N2 O3 H3 89.7 4_655 4_655 4_655 no
N2 O3 H5 68.2 4_655 4_655 4_655 no
N2 O3 H5 68.2 4_655 4_655 4_655 no
N2 O3 H5 175.3 4_655 4_655 4_655 no
N2 O3 H6 88.5 4_655 4_655 4_655 no
N2 O3 H6 88.5 4_655 4_655 4_655 no
N2 O3 H6 46.8 4_655 4_655 4_655 no
N2 O3 H6 46.9 4_655 4_655 4_655 no
N3 O3 C1 60.3(2) . . . ?
N3 O3 C1 60.3(2) . . . ?
N3 O3 C1 145.2(5) . . . ?
N3 O3 C2 93.2(2) . . . ?
N3 O3 C2 93.3(2) . . . ?
N3 O3 C2 106.9(4) . . . ?
N3 O3 C3 82.9(2) . . . ?
N3 O3 C3 82.9(2) . . . ?
N3 O3 C3 104.0(4) . . . ?
N3 O3 C4 61.9(2) . . . ?
N3 O3 C4 61.9(2) . . . ?
N3 O3 C6 117.35(13) . . . ?
N3 O3 C6 117.37(13) . . . ?
N3 O3 C6 84.7(4) . . . ?
N3 O3 H1 87.9 . . . no
N3 O3 H1 87.9 . . . no
N3 O3 H1 117.0 . . . no
N3 O3 H2 92.1 . . . no
N3 O3 H2 92.1 . . . no
N3 O3 H2 102.5 . . . no
N3 O3 H3 147.6 . . . no
N3 O3 H5 123.1 . . . no
N3 O3 H5 123.1 . . . no
N3 O3 H5 62.0 . . . no
N3 O3 H6 124.9 . . . no
N3 O3 H6 124.9 . . . no
N3 O3 H6 77.1 . . . no
N3 O3 H6 77.1 . . . no
C1 O3 C1 105.3(2) . . . ?
C1 O3 C1 127.36(10) . . . ?
C1 O3 C2 37.1(2) . . . ?
C1 O3 C2 141.4(2) . . . ?
C1 O3 C2 118.6(1) . . . ?
C1 O3 C3 43.4(2) . . . ?
C1 O3 C3 142.4(2) . . . ?
C1 O3 C3 77.3(2) . . . ?
C1 O3 C4 36.1(2) . . . ?
C1 O3 C4 121.9(2) . . . ?
C1 O3 C6 58.83(12) . . . ?
C1 O3 C6 151.4(2) . . . ?
C1 O3 C6 107.6(1) . . . ?
C1 O3 H1 29.7 . . . no
C1 O3 H1 115.3 . . . no
C1 O3 H1 122.5 . . . no
C1 O3 H2 58.6 . . . no
C1 O3 H2 152.1 . . . no
C1 O3 H2 76.4 . . . no
C1 O3 H3 103.4 . . . no
C1 O3 H5 68.9 . . . no
C1 O3 H5 164.6 . . . no
C1 O3 H5 57.2 . . . no
C1 O3 H6 64.6 . . . no
C1 O3 H6 139.6 . . . no
C1 O3 H6 112.0 . . . no
C1 O3 H6 94.2 . . . no
C1 O3 C1 127.35(10) 1_545 1_545 1_545 ?
C1 O3 C2 141.4(2) 1_545 1_545 1_545 ?
C1 O3 C2 37.1(2) 1_545 1_545 1_545 ?
C1 O3 C2 118.6(1) 1_545 1_545 1_545 ?
C1 O3 C3 142.4(2) 1_545 1_545 1_545 ?
C1 O3 C3 43.4(2) 1_545 1_545 1_545 ?
C1 O3 C3 77.3(2) 1_545 1_545 1_545 ?
C1 O3 C4 121.9(2) 1_545 1_545 1_545 ?
C1 O3 C4 36.1(2) 1_545 1_545 1_545 ?
C1 O3 C6 151.4(2) 1_545 1_545 1_545 ?
C1 O3 C6 58.83(12) 1_545 1_545 1_545 ?
C1 O3 C6 107.6(1) 1_545 1_545 1_545 ?
C1 O3 H1 115.3 1_545 1_545 1_545 no
C1 O3 H1 29.7 1_545 1_545 1_545 no
C1 O3 H1 122.5 1_545 1_545 1_545 no
C1 O3 H2 152.1 1_545 1_545 1_545 no
C1 O3 H2 58.6 1_545 1_545 1_545 no
C1 O3 H2 76.4 1_545 1_545 1_545 no
C1 O3 H3 103.4 1_545 1_545 1_545 no
C1 O3 H5 164.6 1_545 1_545 1_545 no
C1 O3 H5 68.9 1_545 1_545 1_545 no
C1 O3 H5 57.2 1_545 1_545 1_545 no
C1 O3 H6 139.6 1_545 1_545 1_545 no
C1 O3 H6 64.6 1_545 1_545 1_545 no
C1 O3 H6 94.2 1_545 1_545 1_545 no
C1 O3 H6 112.0 1_545 1_545 1_545 no
C1 O3 C2 90.7(2) 4_655 4_655 4_655 ?
C1 O3 C2 90.7(2) 4_655 4_655 4_655 ?
C1 O3 C2 38.4(2) 4_655 4_655 4_655 ?
C1 O3 C3 87.1(2) 4_655 4_655 4_655 ?
C1 O3 C3 87.0(2) 4_655 4_655 4_655 ?
C1 O3 C3 110.7(2) 4_655 4_655 4_655 ?
C1 O3 C4 103.6(2) 4_655 4_655 4_655 ?
C1 O3 C4 103.6(2) 4_655 4_655 4_655 ?
C1 O3 C6 72.5(1) 4_655 4_655 4_655 ?
C1 O3 C6 72.5(1) 4_655 4_655 4_655 ?
C1 O3 C6 60.6(2) 4_655 4_655 4_655 ?
C1 O3 H1 111.1 4_655 4_655 4_655 no
C1 O3 H1 111.1 4_655 4_655 4_655 no
C1 O3 H1 28.2 4_655 4_655 4_655 no
C1 O3 H2 72.8 4_655 4_655 4_655 no
C1 O3 H2 72.7 4_655 4_655 4_655 no
C1 O3 H2 112.2 4_655 4_655 4_655 no
C1 O3 H3 67.1 4_655 4_655 4_655 no
C1 O3 H5 60.0 4_655 4_655 4_655 no
C1 O3 H5 60.0 4_655 4_655 4_655 no
C1 O3 H5 152.7 4_655 4_655 4_655 no
C1 O3 H6 73.8 4_655 4_655 4_655 no
C1 O3 H6 73.8 4_655 4_655 4_655 no
C1 O3 H6 68.8 4_655 4_655 4_655 no
C1 O3 H6 68.8 4_655 4_655 4_655 no
C2 O3 C2 166.6(3) . . . ?
C2 O3 C2 94.7(2) . . . ?
C2 O3 C3 23.9(2) . . . ?
C2 O3 C3 169.5(3) . . . ?
C2 O3 C3 83.5(2) . . . ?
C2 O3 C4 38.7(2) . . . ?
C2 O3 C4 152.7(2) . . . ?
C2 O3 C6 24.28(13) . . . ?
C2 O3 C6 146.3(2) . . . ?
C2 O3 C6 96.2(2) . . . ?
C2 O3 H1 29.9 . . . no
C2 O3 H1 138.8 . . . no
C2 O3 H1 93.8 . . . no
C2 O3 H2 33.7 . . . no
C2 O3 H2 157.4 . . . no
C2 O3 H2 83.6 . . . no
C2 O3 H3 84.1 . . . no
C2 O3 H5 31.9 . . . no
C2 O3 H5 143.7 . . . no
C2 O3 H5 86.3 . . . no
C2 O3 H6 35.9 . . . no
C2 O3 H6 132.6 . . . no
C2 O3 H6 107.4 . . . no
C2 O3 H6 85.6 . . . no
C2 O3 C2 94.7(2) 1_545 1_545 1_545 ?
C2 O3 C3 169.5(3) 1_545 1_545 1_545 ?
C2 O3 C3 23.9(2) 1_545 1_545 1_545 ?
C2 O3 C3 83.5(2) 1_545 1_545 1_545 ?
C2 O3 C4 152.7(2) 1_545 1_545 1_545 ?
C2 O3 C4 38.7(2) 1_545 1_545 1_545 ?
C2 O3 C6 146.3(2) 1_545 1_545 1_545 ?
C2 O3 C6 24.27(13) 1_545 1_545 1_545 ?
C2 O3 C6 96.2(2) 1_545 1_545 1_545 ?
C2 O3 H1 138.8 1_545 1_545 1_545 no
C2 O3 H1 29.9 1_545 1_545 1_545 no
C2 O3 H1 93.8 1_545 1_545 1_545 no
C2 O3 H2 157.4 1_545 1_545 1_545 no
C2 O3 H2 33.7 1_545 1_545 1_545 no
C2 O3 H2 83.5 1_545 1_545 1_545 no
C2 O3 H3 84.1 1_545 1_545 1_545 no
C2 O3 H5 143.7 1_545 1_545 1_545 no
C2 O3 H5 31.9 1_545 1_545 1_545 no
C2 O3 H5 86.3 1_545 1_545 1_545 no
C2 O3 H6 132.6 1_545 1_545 1_545 no
C2 O3 H6 35.9 1_545 1_545 1_545 no
C2 O3 H6 85.6 1_545 1_545 1_545 no
C2 O3 H6 107.4 1_545 1_545 1_545 no
C2 O3 C3 77.2(2) 4_655 4_655 4_655 ?
C2 O3 C3 77.2(2) 4_655 4_655 4_655 ?
C2 O3 C3 149.1(2) 4_655 4_655 4_655 ?
C2 O3 C4 83.2(2) 4_655 4_655 4_655 ?
C2 O3 C4 83.2(2) 4_655 4_655 4_655 ?
C2 O3 C6 89.8(2) 4_655 4_655 4_655 ?
C2 O3 C6 89.8(2) 4_655 4_655 4_655 ?
C2 O3 C6 22.22(12) 4_655 4_655 4_655 ?
C2 O3 H1 124.4 4_655 4_655 4_655 no
C2 O3 H1 124.3 4_655 4_655 4_655 no
C2 O3 H1 10.1 4_655 4_655 4_655 no
C2 O3 H2 62.8 4_655 4_655 4_655 no
C2 O3 H2 62.8 4_655 4_655 4_655 no
C2 O3 H2 150.6 4_655 4_655 4_655 no
C2 O3 H3 105.5 4_655 4_655 4_655 no
C2 O3 H5 75.8 4_655 4_655 4_655 no
C2 O3 H5 75.8 4_655 4_655 4_655 no
C2 O3 H5 168.9 4_655 4_655 4_655 no
C2 O3 H6 98.9 4_655 4_655 4_655 no
C2 O3 H6 98.9 4_655 4_655 4_655 no
C2 O3 H6 31.8 4_655 4_655 4_655 no
C2 O3 H6 31.8 4_655 4_655 4_655 no
C3 O3 C3 145.6(3) . . . ?
C3 O3 C3 106.9(2) . . . ?
C3 O3 C4 21.11(13) . . . ?
C3 O3 C4 132.3(2) . . . ?
C3 O3 C6 41.8(2) . . . ?
C3 O3 C6 158.7(2) . . . ?
C3 O3 C6 73.8(2) . . . ?
C3 O3 H1 51.1 . . . no
C3 O3 H1 158.3 . . . no
C3 O3 H1 79.4 . . . no
C3 O3 H2 15.2 . . . no
C3 O3 H2 136.3 . . . no
C3 O3 H2 106.8 . . . no
C3 O3 H3 104.4 . . . no
C3 O3 H5 41.2 . . . no
C3 O3 H5 147.0 . . . no
C3 O3 H5 100.3 . . . no
C3 O3 H6 56.3 . . . no
C3 O3 H6 151.2 . . . no
C3 O3 H6 84.0 . . . no
C3 O3 H6 62.3 . . . no
C3 O3 C3 106.9(2) 1_545 1_545 1_545 ?
C3 O3 C4 132.3(2) 1_545 1_545 1_545 ?
C3 O3 C4 21.12(13) 1_545 1_545 1_545 ?
C3 O3 C6 158.7(2) 1_545 1_545 1_545 ?
C3 O3 C6 41.8(2) 1_545 1_545 1_545 ?
C3 O3 C6 73.8(2) 1_545 1_545 1_545 ?
C3 O3 H1 158.3 1_545 1_545 1_545 no
C3 O3 H1 51.1 1_545 1_545 1_545 no
C3 O3 H1 79.4 1_545 1_545 1_545 no
C3 O3 H2 136.3 1_545 1_545 1_545 no
C3 O3 H2 15.2 1_545 1_545 1_545 no
C3 O3 H2 106.8 1_545 1_545 1_545 no
C3 O3 H3 104.4 1_545 1_545 1_545 no
C3 O3 H5 147.0 1_545 1_545 1_545 no
C3 O3 H5 41.2 1_545 1_545 1_545 no
C3 O3 H5 100.3 1_545 1_545 1_545 no
C3 O3 H6 151.1 1_545 1_545 1_545 no
C3 O3 H6 56.3 1_545 1_545 1_545 no
C3 O3 H6 62.3 1_545 1_545 1_545 no
C3 O3 H6 84.0 1_545 1_545 1_545 no
C3 O3 C4 111.9(2) 4_654 4_654 4_654 ?
C3 O3 C4 111.9(2) 4_654 4_654 4_654 ?
C3 O3 C6 75.9(2) 4_654 4_654 4_654 ?
C3 O3 C6 75.9(2) 4_654 4_654 4_654 ?
C3 O3 C6 171.3(2) 4_654 4_654 4_654 ?
C3 O3 H1 56.5 4_654 4_654 4_654 no
C3 O3 H1 56.5 4_654 4_654 4_654 no
C3 O3 H1 139.0 4_654 4_654 4_654 no
C3 O3 H2 116.4 4_654 4_654 4_654 no
C3 O3 H2 116.4 4_654 4_654 4_654 no
C3 O3 H2 1.5 4_654 4_654 4_654 no
C3 O3 H3 43.6 4_654 4_654 4_654 no
C3 O3 H5 87.4 4_654 4_654 4_654 no
C3 O3 H5 87.4 4_654 4_654 4_654 no
C3 O3 H5 42.0 4_654 4_654 4_654 no
C3 O3 H6 62.4 4_654 4_654 4_654 no
C3 O3 H6 62.4 4_654 4_654 4_654 no
C3 O3 H6 169.1 4_654 4_654 4_654 no
C3 O3 H6 169.1 4_654 4_654 4_654 no
C4 O3 C4 114.4(2) . . . ?
C4 O3 C6 61.02(12) . . . ?
C4 O3 C6 172.2(2) . . . ?
C4 O3 C6 72.0(2) . . . ?
C4 O3 H1 56.8 . . . no
C4 O3 H1 145.3 . . . no
C4 O3 H1 88.6 . . . no
C4 O3 H2 31.8 . . . no
C4 O3 H2 129.4 . . . no
C4 O3 H2 111.3 . . . no
C4 O3 H3 122.8 . . . no
C4 O3 H5 62.2 . . . no
C4 O3 H5 159.0 . . . no
C4 O3 H5 90.8 . . . no
C4 O3 H6 74.3 . . . no
C4 O3 H6 171.3 . . . no
C4 O3 H6 78.3 . . . no
C4 O3 H6 58.7 . . . no
C4 O3 C6 172.2(2) 1_545 1_545 1_545 ?
C4 O3 C6 61.02(12) 1_545 1_545 1_545 ?
C4 O3 C6 72.0(2) 1_545 1_545 1_545 ?
C4 O3 H1 145.3 1_545 1_545 1_545 no
C4 O3 H1 56.8 1_545 1_545 1_545 no
C4 O3 H1 88.6 1_545 1_545 1_545 no
C4 O3 H2 129.4 1_545 1_545 1_545 no
C4 O3 H2 31.8 1_545 1_545 1_545 no
C4 O3 H2 111.3 1_545 1_545 1_545 no
C4 O3 H3 122.8 1_545 1_545 1_545 no
C4 O3 H5 159.0 1_545 1_545 1_545 no
C4 O3 H5 62.2 1_545 1_545 1_545 no
C4 O3 H5 90.9 1_545 1_545 1_545 no
C4 O3 H6 171.3 1_545 1_545 1_545 no
C4 O3 H6 74.3 1_545 1_545 1_545 no
C4 O3 H6 58.7 1_545 1_545 1_545 no
C4 O3 H6 78.3 1_545 1_545 1_545 no
C6 O3 C6 122.7(2) . . . ?
C6 O3 C6 100.3(2) . . . ?
C6 O3 H1 39.0 . . . no
C6 O3 H1 130.8 . . . no
C6 O3 H1 85.0 . . . no
C6 O3 H2 43.2 . . . no
C6 O3 H2 145.3 . . . no
C6 O3 H2 76.6 . . . no
C6 O3 H3 62.6 . . . no
C6 O3 H5 14.1 . . . no
C6 O3 H5 119.5 . . . no
C6 O3 H5 95.5 . . . no
C6 O3 H6 15.1 . . . no
C6 O3 H6 110.4 . . . no
C6 O3 H6 113.5 . . . no
C6 O3 H6 93.8 . . . no
C6 O3 C6 100.3(2) 1_545 1_545 1_545 ?
C6 O3 H1 130.8 1_545 1_545 1_545 no
C6 O3 H1 39.0 1_545 1_545 1_545 no
C6 O3 H1 85.0 1_545 1_545 1_545 no
C6 O3 H2 145.3 1_545 1_545 1_545 no
C6 O3 H2 43.2 1_545 1_545 1_545 no
C6 O3 H2 76.6 1_545 1_545 1_545 no
C6 O3 H3 62.5 1_545 1_545 1_545 no
C6 O3 H5 119.5 1_545 1_545 1_545 no
C6 O3 H5 14.1 1_545 1_545 1_545 no
C6 O3 H5 95.5 1_545 1_545 1_545 no
C6 O3 H6 110.4 1_545 1_545 1_545 no
C6 O3 H6 15.1 1_545 1_545 1_545 no
C6 O3 H6 93.8 1_545 1_545 1_545 no
C6 O3 H6 113.5 1_545 1_545 1_545 no
C6 O3 H1 124.9 4_655 4_655 4_655 no
C6 O3 H1 124.9 4_655 4_655 4_655 no
C6 O3 H1 32.3 4_655 4_655 4_655 no
C6 O3 H2 62.5 4_655 4_655 4_655 no
C6 O3 H2 62.5 4_655 4_655 4_655 no
C6 O3 H2 172.8 4_655 4_655 4_655 no
C6 O3 H3 127.7 4_655 4_655 4_655 no
C6 O3 H5 87.8 4_655 4_655 4_655 no
C6 O3 H5 87.8 4_655 4_655 4_655 no
C6 O3 H5 146.7 4_655 4_655 4_655 no
C6 O3 H6 112.8 4_655 4_655 4_655 no
C6 O3 H6 112.8 4_655 4_655 4_655 no
C6 O3 H6 13.4 4_655 4_655 4_655 no
C6 O3 H6 13.4 4_655 4_655 4_655 no
H1 O3 H1 109.2 . . . no
H1 O3 H1 122.2 . . . no
H1 O3 H2 63.3 . . . no
H1 O3 H2 172.5 . . . no
H1 O3 H2 56.2 . . . no
H1 O3 H3 73.9 . . . no
H1 O3 H5 52.7 . . . no
H1 O3 H5 138.7 . . . no
H1 O3 H5 58.1 . . . no
H1 O3 H6 38.5 . . . no
H1 O3 H6 116.0 . . . no
H1 O3 H6 134.3 . . . no
H1 O3 H6 113.0 . . . no
H1 O3 H1 122.1 1_545 1_545 1_545 no
H1 O3 H2 172.5 1_545 1_545 1_545 no
H1 O3 H2 63.3 1_545 1_545 1_545 no
H1 O3 H2 56.2 1_545 1_545 1_545 no
H1 O3 H3 73.8 1_545 1_545 1_545 no
H1 O3 H5 138.7 1_545 1_545 1_545 no
H1 O3 H5 52.7 1_545 1_545 1_545 no
H1 O3 H5 58.1 1_545 1_545 1_545 no
H1 O3 H6 115.9 1_545 1_545 1_545 no
H1 O3 H6 38.5 1_545 1_545 1_545 no
H1 O3 H6 113.0 1_545 1_545 1_545 no
H1 O3 H6 134.3 1_545 1_545 1_545 no
H1 O3 H2 64.4 4_655 4_655 4_655 no
H1 O3 H2 64.4 4_655 4_655 4_655 no
H1 O3 H2 140.5 4_655 4_655 4_655 no
H1 O3 H3 95.3 4_655 4_655 4_655 no
H1 O3 H5 70.8 4_655 4_655 4_655 no
H1 O3 H5 70.8 4_655 4_655 4_655 no
H1 O3 H5 179.0 4_655 4_655 4_655 no
H1 O3 H6 92.2 4_655 4_655 4_655 no
H1 O3 H6 92.2 4_655 4_655 4_655 no
H1 O3 H6 41.4 4_655 4_655 4_655 no
H1 O3 H6 41.4 4_655 4_655 4_655 no
H2 O3 H2 124.1 . . . no
H2 O3 H2 116.6 . . . no
H2 O3 H3 102.6 . . . no
H2 O3 H5 37.0 . . . no
H2 O3 H5 132.4 . . . no
H2 O3 H5 115.4 . . . no
H2 O3 H6 58.3 . . . no
H2 O3 H6 142.8 . . . no
H2 O3 H6 74.3 . . . no
H2 O3 H6 52.8 . . . no
H2 O3 H2 116.6 1_545 1_545 1_545 no
H2 O3 H3 102.6 1_545 1_545 1_545 no
H2 O3 H5 132.3 1_545 1_545 1_545 no
H2 O3 H5 37.0 1_545 1_545 1_545 no
H2 O3 H5 115.5 1_545 1_545 1_545 no
H2 O3 H6 142.8 1_545 1_545 1_545 no
H2 O3 H6 58.2 1_545 1_545 1_545 no
H2 O3 H6 52.8 1_545 1_545 1_545 no
H2 O3 H6 74.3 1_545 1_545 1_545 no
H2 O3 H3 45.1 4_654 4_654 4_654 no
H2 O3 H5 88.3 4_654 4_654 4_654 no
H2 O3 H5 88.3 4_654 4_654 4_654 no
H2 O3 H5 40.5 4_654 4_654 4_654 no
H2 O3 H6 63.2 4_654 4_654 4_654 no
H2 O3 H6 63.2 4_654 4_654 4_654 no
H2 O3 H6 169.1 4_654 4_654 4_654 no
H2 O3 H6 169.1 4_654 4_654 4_654 no
H3 O3 H5 65.6 4_654 4_654 4_654 no
H3 O3 H5 65.6 4_654 4_654 4_654 no
H3 O3 H5 85.6 4_654 4_654 4_654 no
H3 O3 H6 48.5 4_654 4_654 4_654 no
H3 O3 H6 48.5 4_654 4_654 4_654 no
H3 O3 H6 134.5 4_654 4_654 4_654 no
H3 O3 H6 134.5 4_654 4_654 4_654 no
H5 O3 H5 112.8 . . . no
H5 O3 H5 109.6 . . . no
H5 O3 H6 25.1 . . . no
H5 O3 H6 110.0 . . . no
H5 O3 H6 101.1 . . . no
H5 O3 H6 83.0 . . . no
H5 O3 H5 109.6 1_545 1_545 1_545 no
H5 O3 H6 110.0 1_545 1_545 1_545 no
H5 O3 H6 25.1 1_545 1_545 1_545 no
H5 O3 H6 83.0 1_545 1_545 1_545 no
H5 O3 H6 101.2 1_545 1_545 1_545 no
H5 O3 H6 88.4 4_654 4_654 4_654 no
H5 O3 H6 88.4 4_654 4_654 4_654 no
H5 O3 H6 137.7 4_654 4_654 4_654 no
H5 O3 H6 137.7 4_654 4_654 4_654 no
H6 O3 H6 97.0 . . . no
H6 O3 H6 126.1 . . . no
H6 O3 H6 107.9 . . . no
H6 O3 H6 107.9 7_545 7_545 7_545 no
H6 O3 H6 126.1 7_545 7_545 7_545 no
H6 O3 H6 21.8 6_645 6_645 6_645 no
CL1 O4 O2 151.7(3) 3_647 3_647 3_647 ?
CL1 O4 O3 148.3(3) 3_647 3_647 3_647 ?
CL1 O4 N1 102.19(13) 3_647 3_647 3_647 ?
CL1 O4 N1 102.21(13) 3_647 3_647 3_647 ?
CL1 O4 N2 97.8(2) 3_647 3_647 3_647 ?
CL1 O4 N3 178.8(5) 3_647 3_647 3_647 ?
CL1 O4 C2 78.0(2) 3_647 3_647 3_647 ?
CL1 O4 C3 104.2(2) 3_647 3_647 3_647 ?
CL1 O4 C3 104.2(2) 3_647 3_647 3_647 ?
CL1 O4 C4 91.7(2) 3_647 3_647 3_647 ?
CL1 O4 C4 91.7(2) 3_647 3_647 3_647 ?
CL1 O4 C5 66.6(1) 3_647 3_647 3_647 ?
CL1 O4 C5 66.6(1) 3_647 3_647 3_647 ?
CL1 O4 C6 56.9(2) 3_647 3_647 3_647 ?
CL1 O4 C7 89.9(2) 3_647 3_647 3_647 ?
CL1 O4 C7 90.0(2) 3_647 3_647 3_647 ?
CL1 O4 C8 84.5(2) 3_647 3_647 3_647 ?
CL1 O4 C8 84.5(2) 3_647 3_647 3_647 ?
CL1 O4 H1 105.9 3_647 3_647 3_647 no
CL1 O4 H2 96.5 3_647 3_647 3_647 no
CL1 O4 H2 96.5 3_647 3_647 3_647 no
CL1 O4 H3 63.6 3_647 3_647 3_647 no
CL1 O4 H3 63.6 3_647 3_647 3_647 no
CL1 O4 H4 54.8 3_647 3_647 3_647 no
CL1 O4 H4 54.8 3_647 3_647 3_647 no
CL1 O4 H5 48.6 3_647 3_647 3_647 no
CL1 O4 H6 55.4 3_647 3_647 3_647 no
CL1 O4 H6 55.4 3_647 3_647 3_647 no
CL1 O4 H7 87.4 3_647 3_647 3_647 no
CL1 O4 H7 87.4 3_647 3_647 3_647 no
O2 O4 O3 60.0(3) . . . ?
O2 O4 N1 69.96(13) . . . ?
O2 O4 N1 69.95(13) . . . ?
O2 O4 N2 110.5(3) . . . ?
O2 O4 N3 29.5(4) . . . ?
O2 O4 C2 130.3(3) . . . ?
O2 O4 C3 87.0(2) . . . ?
O2 O4 C3 87.0(2) . . . ?
O2 O4 C4 89.0(2) . . . ?
O2 O4 C4 89.0(2) . . . ?
O2 O4 C5 111.4(2) . . . ?
O2 O4 C5 111.4(2) . . . ?
O2 O4 C6 151.4(3) . . . ?
O2 O4 C7 73.5(2) . . . ?
O2 O4 C7 73.5(2) . . . ?
O2 O4 C8 72.2(2) . . . ?
O2 O4 C8 72.2(2) . . . ?
O2 O4 H1 102.4 . . . no
O2 O4 H2 99.0 . . . no
O2 O4 H2 99.0 . . . no
O2 O4 H3 121.5 . . . no
O2 O4 H3 121.5 . . . no
O2 O4 H4 117.0 . . . no
O2 O4 H4 117.0 . . . no
O2 O4 H5 159.7 . . . no
O2 O4 H6 150.6 . . . no
O2 O4 H6 150.6 . . . no
O2 O4 H7 67.1 . . . no
O2 O4 H7 67.1 . . . no
O3 O4 N1 89.6(2) . . . ?
O3 O4 N1 89.6(2) . . . ?
O3 O4 N2 50.5(2) . . . ?
O3 O4 N3 30.5(4) . . . ?
O3 O4 C2 70.3(2) . . . ?
O3 O4 C3 67.14(13) . . . ?
O3 O4 C3 67.12(13) . . . ?
O3 O4 C4 88.0(2) . . . ?
O3 O4 C4 88.0(2) . . . ?
O3 O4 C5 108.8(2) . . . ?
O3 O4 C5 108.7(2) . . . ?
O3 O4 C6 91.5(2) . . . ?
O3 O4 C7 108.5(2) . . . ?
O3 O4 C7 108.5(2) . . . ?
O3 O4 C8 120.9(2) . . . ?
O3 O4 C8 120.9(2) . . . ?
O3 O4 H1 42.5 . . . no
O3 O4 H2 67.7 . . . no
O3 O4 H2 67.7 . . . no
O3 O4 H3 103.5 . . . no
O3 O4 H3 103.5 . . . no
O3 O4 H4 123.3 . . . no
O3 O4 H4 123.3 . . . no
O3 O4 H5 99.8 . . . no
O3 O4 H6 94.1 . . . no
O3 O4 H6 94.1 . . . no
O3 O4 H7 120.9 . . . no
O3 O4 H7 120.9 . . . no
N1 O4 N1 133.8(2) . . . ?
N1 O4 N2 107.39(12) . . . ?
N1 O4 N3 78.2(2) . . . ?
N1 O4 C2 111.54(12) . . . ?
N1 O4 C3 39.45(13) . . . ?
N1 O4 C3 153.6(2) . . . ?
N1 O4 C4 23.1(2) . . . ?
N1 O4 C4 156.8(3) . . . ?
N1 O4 C5 41.5(1) . . . ?
N1 O4 C5 159.7(2) . . . ?
N1 O4 C6 113.10(12) . . . ?
N1 O4 C7 21.05(10) . . . ?
N1 O4 C7 122.4(2) . . . ?
N1 O4 C8 39.89(12) . . . ?
N1 O4 C8 105.3(2) . . . ?
N1 O4 H1 105.1 . . . no
N1 O4 H2 52.2 . . . no
N1 O4 H2 157.2 . . . no
N1 O4 H3 53.2 . . . no
N1 O4 H3 165.7 . . . no
N1 O4 H4 48.7 . . . no
N1 O4 H4 146.1 . . . no
N1 O4 H5 112.8 . . . no
N1 O4 H6 127.7 . . . no
N1 O4 H6 98.4 . . . no
N1 O4 H7 47.3 . . . no
N1 O4 H7 95.7 . . . no
N1 O4 N2 107.36(12) 1_545 1_545 1_545 ?
N1 O4 N3 78.2(2) 1_545 1_545 1_545 ?
N1 O4 C2 111.52(12) 1_545 1_545 1_545 ?
N1 O4 C3 153.6(2) 1_545 1_545 1_545 ?
N1 O4 C3 39.44(13) 1_545 1_545 1_545 ?
N1 O4 C4 156.8(3) 1_545 1_545 1_545 ?
N1 O4 C4 23.1(2) 1_545 1_545 1_545 ?
N1 O4 C5 159.7(2) 1_545 1_545 1_545 ?
N1 O4 C5 41.5(1) 1_545 1_545 1_545 ?
N1 O4 C6 113.09(12) 1_545 1_545 1_545 ?
N1 O4 C7 122.4(2) 1_545 1_545 1_545 ?
N1 O4 C7 21.06(10) 1_545 1_545 1_545 ?
N1 O4 C8 105.3(2) 1_545 1_545 1_545 ?
N1 O4 C8 39.91(12) 1_545 1_545 1_545 ?
N1 O4 H1 105.1 1_545 1_545 1_545 no
N1 O4 H2 157.2 1_545 1_545 1_545 no
N1 O4 H2 52.2 1_545 1_545 1_545 no
N1 O4 H3 165.7 1_545 1_545 1_545 no
N1 O4 H3 53.2 1_545 1_545 1_545 no
N1 O4 H4 146.1 1_545 1_545 1_545 no
N1 O4 H4 48.7 1_545 1_545 1_545 no
N1 O4 H5 112.8 1_545 1_545 1_545 no
N1 O4 H6 98.4 1_545 1_545 1_545 no
N1 O4 H6 127.7 1_545 1_545 1_545 no
N1 O4 H7 95.7 1_545 1_545 1_545 no
N1 O4 H7 47.3 1_545 1_545 1_545 no
N2 O4 N3 81.0(4) 4_655 4_655 4_655 ?
N2 O4 C2 19.76(12) 4_655 4_655 4_655 ?
N2 O4 C3 68.07(12) 4_655 4_655 4_655 ?
N2 O4 C3 68.05(12) 4_655 4_655 4_655 ?
N2 O4 C4 88.8(2) 4_655 4_655 4_655 ?
N2 O4 C4 88.7(2) 4_655 4_655 4_655 ?
N2 O4 C5 91.3(2) 4_655 4_655 4_655 ?
N2 O4 C5 91.3(2) 4_655 4_655 4_655 ?
N2 O4 C6 40.9(2) 4_655 4_655 4_655 ?
N2 O4 C7 126.63(10) 4_655 4_655 4_655 ?
N2 O4 C7 126.61(10) 4_655 4_655 4_655 ?
N2 O4 C8 145.90(10) 4_655 4_655 4_655 ?
N2 O4 C8 145.89(10) 4_655 4_655 4_655 ?
N2 O4 H1 8.1 4_655 4_655 4_655 no
N2 O4 H2 56.6 4_655 4_655 4_655 no
N2 O4 H2 56.6 4_655 4_655 4_655 no
N2 O4 H3 77.7 4_655 4_655 4_655 no
N2 O4 H3 77.7 4_655 4_655 4_655 no
N2 O4 H4 100.9 4_655 4_655 4_655 no
N2 O4 H4 100.9 4_655 4_655 4_655 no
N2 O4 H5 49.2 4_655 4_655 4_655 no
N2 O4 H6 45.6 4_655 4_655 4_655 no
N2 O4 H6 45.6 4_655 4_655 4_655 no
N2 O4 H7 154.6 4_655 4_655 4_655 no
N2 O4 H7 154.6 4_655 4_655 4_655 no
N3 O4 C2 100.8(4) . . . ?
N3 O4 C3 75.4(2) . . . ?
N3 O4 C3 75.4(2) . . . ?
N3 O4 C4 88.3(2) . . . ?
N3 O4 C4 88.3(2) . . . ?
N3 O4 C5 113.4(1) . . . ?
N3 O4 C5 113.4(1) . . . ?
N3 O4 C6 122.0(5) . . . ?
N3 O4 C7 90.8(3) . . . ?
N3 O4 C7 90.7(3) . . . ?
N3 O4 C8 96.5(4) . . . ?
N3 O4 C8 96.4(4) . . . ?
N3 O4 H1 73.0 . . . no
N3 O4 H2 82.9 . . . no
N3 O4 H2 82.9 . . . no
N3 O4 H3 116.0 . . . no
N3 O4 H3 116.0 . . . no
N3 O4 H4 125.3 . . . no
N3 O4 H4 125.3 . . . no
N3 O4 H5 130.3 . . . no
N3 O4 H6 123.5 . . . no
N3 O4 H6 123.5 . . . no
N3 O4 H7 93.7 . . . no
N3 O4 H7 93.7 . . . no
C2 O4 C3 73.43(13) 4_655 4_655 4_655 ?
C2 O4 C3 73.41(13) 4_655 4_655 4_655 ?
C2 O4 C4 89.4(2) 4_655 4_655 4_655 ?
C2 O4 C4 89.3(2) 4_655 4_655 4_655 ?
C2 O4 C5 83.5(2) 4_655 4_655 4_655 ?
C2 O4 C5 83.5(2) 4_655 4_655 4_655 ?
C2 O4 C6 21.1(2) 4_655 4_655 4_655 ?
C2 O4 C7 126.08(12) 4_655 4_655 4_655 ?
C2 O4 C7 126.06(12) 4_655 4_655 4_655 ?
C2 O4 C8 141.7(2) 4_655 4_655 4_655 ?
C2 O4 C8 141.7(2) 4_655 4_655 4_655 ?
C2 O4 H1 27.8 4_655 4_655 4_655 no
C2 O4 H2 59.7 4_655 4_655 4_655 no
C2 O4 H2 59.7 4_655 4_655 4_655 no
C2 O4 H3 68.8 4_655 4_655 4_655 no
C2 O4 H3 68.8 4_655 4_655 4_655 no
C2 O4 H4 89.4 4_655 4_655 4_655 no
C2 O4 H4 89.4 4_655 4_655 4_655 no
C2 O4 H5 29.4 4_655 4_655 4_655 no
C2 O4 H6 27.8 4_655 4_655 4_655 no
C2 O4 H6 27.8 4_655 4_655 4_655 no
C2 O4 H7 151.2 4_655 4_655 4_655 no
C2 O4 H7 151.2 4_655 4_655 4_655 no
C3 O4 C3 130.1(2) . . . ?
C3 O4 C4 23.1(2) . . . ?
C3 O4 C4 153.2(3) . . . ?
C3 O4 C5 41.8(2) . . . ?
C3 O4 C5 156.6(2) . . . ?
C3 O4 C6 81.1(2) . . . ?
C3 O4 C7 58.87(12) . . . ?
C3 O4 C7 158.6(2) . . . ?
C3 O4 C8 78.33(13) . . . ?
C3 O4 C8 144.5(2) . . . ?
C3 O4 H1 66.6 . . . no
C3 O4 H2 14.2 . . . no
C3 O4 H2 122.9 . . . no
C3 O4 H3 40.7 . . . no
C3 O4 H3 141.9 . . . no
C3 O4 H4 56.3 . . . no
C3 O4 H4 156.0 . . . no
C3 O4 H5 84.5 . . . no
C3 O4 H6 95.7 . . . no
C3 O4 H6 68.9 . . . no
C3 O4 H7 86.5 . . . no
C3 O4 H7 134.9 . . . no
C3 O4 C4 153.2(3) 1_545 1_545 1_545 ?
C3 O4 C4 23.1(2) 1_545 1_545 1_545 ?
C3 O4 C5 156.6(2) 1_545 1_545 1_545 ?
C3 O4 C5 41.8(2) 1_545 1_545 1_545 ?
C3 O4 C6 81.1(2) 1_545 1_545 1_545 ?
C3 O4 C7 158.6(2) 1_545 1_545 1_545 ?
C3 O4 C7 58.88(12) 1_545 1_545 1_545 ?
C3 O4 C8 144.5(2) 1_545 1_545 1_545 ?
C3 O4 C8 78.34(13) 1_545 1_545 1_545 ?
C3 O4 H1 66.6 1_545 1_545 1_545 no
C3 O4 H2 122.9 1_545 1_545 1_545 no
C3 O4 H2 14.2 1_545 1_545 1_545 no
C3 O4 H3 141.9 1_545 1_545 1_545 no
C3 O4 H3 40.7 1_545 1_545 1_545 no
C3 O4 H4 156.0 1_545 1_545 1_545 no
C3 O4 H4 56.3 1_545 1_545 1_545 no
C3 O4 H5 84.5 1_545 1_545 1_545 no
C3 O4 H6 68.9 1_545 1_545 1_545 no
C3 O4 H6 95.7 1_545 1_545 1_545 no
C3 O4 H7 134.9 1_545 1_545 1_545 no
C3 O4 H7 86.5 1_545 1_545 1_545 no
C4 O4 C4 176.0(4) . . . ?
C4 O4 C5 25.1(2) . . . ?
C4 O4 C5 158.1(3) . . . ?
C4 O4 C6 90.1(2) . . . ?
C4 O4 C7 38.1(2) . . . ?
C4 O4 C7 144.0(2) . . . ?
C4 O4 C8 57.1(2) . . . ?
C4 O4 C8 125.3(2) . . . ?
C4 O4 H1 88.5 . . . no
C4 O4 H2 32.2 . . . no
C4 O4 H2 145.1 . . . no
C4 O4 H3 32.5 . . . no
C4 O4 H3 149.3 . . . no
C4 O4 H4 37.8 . . . no
C4 O4 H4 146.0 . . . no
C4 O4 H5 90.4 . . . no
C4 O4 H6 104.8 . . . no
C4 O4 H6 75.5 . . . no
C4 O4 H7 66.1 . . . no
C4 O4 H7 116.1 . . . no
C4 O4 C5 158.1(3) 1_545 1_545 1_545 ?
C4 O4 C5 25.1(2) 1_545 1_545 1_545 ?
C4 O4 C6 90.1(2) 1_545 1_545 1_545 ?
C4 O4 C7 144.0(2) 1_545 1_545 1_545 ?
C4 O4 C7 38.1(2) 1_545 1_545 1_545 ?
C4 O4 C8 125.3(2) 1_545 1_545 1_545 ?
C4 O4 C8 57.2(2) 1_545 1_545 1_545 ?
C4 O4 H1 88.5 1_545 1_545 1_545 no
C4 O4 H2 145.1 1_545 1_545 1_545 no
C4 O4 H2 32.2 1_545 1_545 1_545 no
C4 O4 H3 149.3 1_545 1_545 1_545 no
C4 O4 H3 32.5 1_545 1_545 1_545 no
C4 O4 H4 146.0 1_545 1_545 1_545 no
C4 O4 H4 37.8 1_545 1_545 1_545 no
C4 O4 H5 90.4 1_545 1_545 1_545 no
C4 O4 H6 75.5 1_545 1_545 1_545 no
C4 O4 H6 104.8 1_545 1_545 1_545 no
C4 O4 H7 116.1 1_545 1_545 1_545 no
C4 O4 H7 66.1 1_545 1_545 1_545 no
C5 O4 C5 133.0(3) . . . ?
C5 O4 C6 75.9(2) . . . ?
C5 O4 C7 44.5(2) . . . ?
C5 O4 C7 138.7(2) . . . ?
C5 O4 C8 58.2(2) . . . ?
C5 O4 C8 120.1(2) . . . ?
C5 O4 H1 94.5 . . . no
C5 O4 H2 42.5 . . . no
C5 O4 H2 142.4 . . . no
C5 O4 H3 14.7 . . . no
C5 O4 H3 126.6 . . . no
C5 O4 H4 14.5 . . . no
C5 O4 H4 121.2 . . . no
C5 O4 H5 73.4 . . . no
C5 O4 H6 89.0 . . . no
C5 O4 H6 61.2 . . . no
C5 O4 H7 67.8 . . . no
C5 O4 H7 113.4 . . . no
C5 O4 C6 75.9(2) 1_545 1_545 1_545 ?
C5 O4 C7 138.7(2) 1_545 1_545 1_545 ?
C5 O4 C7 44.5(2) 1_545 1_545 1_545 ?
C5 O4 C8 120.1(2) 1_545 1_545 1_545 ?
C5 O4 C8 58.3(2) 1_545 1_545 1_545 ?
C5 O4 H1 94.5 1_545 1_545 1_545 no
C5 O4 H2 142.4 1_545 1_545 1_545 no
C5 O4 H2 42.5 1_545 1_545 1_545 no
C5 O4 H3 126.6 1_545 1_545 1_545 no
C5 O4 H3 14.7 1_545 1_545 1_545 no
C5 O4 H4 121.2 1_545 1_545 1_545 no
C5 O4 H4 14.5 1_545 1_545 1_545 no
C5 O4 H5 73.4 1_545 1_545 1_545 no
C5 O4 H6 61.2 1_545 1_545 1_545 no
C5 O4 H6 89.0 1_545 1_545 1_545 no
C5 O4 H7 113.5 1_545 1_545 1_545 no
C5 O4 H7 67.8 1_545 1_545 1_545 no
C6 O4 C7 120.3(2) 4_655 4_655 4_655 ?
C6 O4 C7 120.2(2) 4_655 4_655 4_655 ?
C6 O4 C8 129.5(2) 4_655 4_655 4_655 ?
C6 O4 C8 129.6(2) 4_655 4_655 4_655 ?
C6 O4 H1 49.0 4_655 4_655 4_655 no
C6 O4 H2 67.0 4_655 4_655 4_655 no
C6 O4 H2 67.0 4_655 4_655 4_655 no
C6 O4 H3 61.8 4_655 4_655 4_655 no
C6 O4 H3 61.7 4_655 4_655 4_655 no
C6 O4 H4 77.2 4_655 4_655 4_655 no
C6 O4 H4 77.2 4_655 4_655 4_655 no
C6 O4 H5 8.3 4_655 4_655 4_655 no
C6 O4 H6 14.9 4_655 4_655 4_655 no
C6 O4 H6 14.9 4_655 4_655 4_655 no
C6 O4 H7 137.1 4_655 4_655 4_655 no
C6 O4 H7 137.1 4_655 4_655 4_655 no
C7 O4 C7 106.0(2) . . . ?
C7 O4 C8 19.46(10) . . . ?
C7 O4 C8 87.3(2) . . . ?
C7 O4 H1 125.4 . . . no
C7 O4 H2 70.1 . . . no
C7 O4 H2 172.4 . . . no
C7 O4 H3 59.0 . . . no
C7 O4 H3 147.8 . . . no
C7 O4 H4 44.4 . . . no
C7 O4 H4 125.4 . . . no
C7 O4 H5 116.8 . . . no
C7 O4 H6 132.3 . . . no
C7 O4 H6 105.6 . . . no
C7 O4 H7 28.1 . . . no
C7 O4 H7 78.0 . . . no
C7 O4 C8 87.3(2) 1_545 1_545 1_545 ?
C7 O4 C8 19.47(10) 1_545 1_545 1_545 ?
C7 O4 H1 125.4 1_545 1_545 1_545 no
C7 O4 H2 172.4 1_545 1_545 1_545 no
C7 O4 H2 70.1 1_545 1_545 1_545 no
C7 O4 H3 147.8 1_545 1_545 1_545 no
C7 O4 H3 59.0 1_545 1_545 1_545 no
C7 O4 H4 125.4 1_545 1_545 1_545 no
C7 O4 H4 44.4 1_545 1_545 1_545 no
C7 O4 H5 116.8 1_545 1_545 1_545 no
C7 O4 H6 105.6 1_545 1_545 1_545 no
C7 O4 H6 132.3 1_545 1_545 1_545 no
C7 O4 H7 78.0 1_545 1_545 1_545 no
C7 O4 H7 28.1 1_545 1_545 1_545 no
C8 O4 C8 68.2(2) . . . ?
C8 O4 H1 144.8 . . . no
C8 O4 H2 89.3 . . . no
C8 O4 H2 157.3 . . . no
C8 O4 H3 72.9 . . . no
C8 O4 H3 131.4 . . . no
C8 O4 H4 53.1 . . . no
C8 O4 H4 107.9 . . . no
C8 O4 H5 123.6 . . . no
C8 O4 H6 137.1 . . . no
C8 O4 H6 116.7 . . . no
C8 O4 H7 9.6 . . . no
C8 O4 H7 59.2 . . . no
C8 O4 H1 144.8 7_545 7_545 7_545 no
C8 O4 H2 157.3 7_545 7_545 7_545 no
C8 O4 H2 89.3 7_545 7_545 7_545 no
C8 O4 H3 131.4 7_545 7_545 7_545 no
C8 O4 H3 72.9 7_545 7_545 7_545 no
C8 O4 H4 107.9 7_545 7_545 7_545 no
C8 O4 H4 53.1 7_545 7_545 7_545 no
C8 O4 H5 123.6 7_545 7_545 7_545 no
C8 O4 H6 116.7 7_545 7_545 7_545 no
C8 O4 H6 137.1 7_545 7_545 7_545 no
C8 O4 H7 59.2 7_545 7_545 7_545 no
C8 O4 H7 9.6 7_545 7_545 7_545 no
H1 O4 H2 56.6 4_655 4_655 4_655 no
H1 O4 H2 56.6 4_655 4_655 4_655 no
H1 O4 H3 81.8 4_655 4_655 4_655 no
H1 O4 H3 81.7 4_655 4_655 4_655 no
H1 O4 H4 105.3 4_655 4_655 4_655 no
H1 O4 H4 105.3 4_655 4_655 4_655 no
H1 O4 H5 57.3 4_655 4_655 4_655 no
H1 O4 H6 53.2 4_655 4_655 4_655 no
H1 O4 H6 53.2 4_655 4_655 4_655 no
H1 O4 H7 152.0 4_655 4_655 4_655 no
H1 O4 H7 152.0 4_655 4_655 4_655 no
H2 O4 H2 113.0 . . . no
H2 O4 H3 36.0 . . . no
H2 O4 H3 127.8 . . . no
H2 O4 H4 56.6 . . . no
H2 O4 H4 143.2 . . . no
H2 O4 H5 70.7 . . . no
H2 O4 H6 81.5 . . . no
H2 O4 H6 55.2 . . . no
H2 O4 H7 98.1 . . . no
H2 O4 H7 147.8 . . . no
H2 O4 H3 127.8 1_545 1_545 1_545 no
H2 O4 H3 36.0 1_545 1_545 1_545 no
H2 O4 H4 143.2 1_545 1_545 1_545 no
H2 O4 H4 56.6 1_545 1_545 1_545 no
H2 O4 H5 70.7 1_545 1_545 1_545 no
H2 O4 H6 55.2 1_545 1_545 1_545 no
H2 O4 H6 81.5 1_545 1_545 1_545 no
H2 O4 H7 147.9 1_545 1_545 1_545 no
H2 O4 H7 98.2 1_545 1_545 1_545 no
H3 O4 H3 117.0 . . . no
H3 O4 H4 23.7 . . . no
H3 O4 H4 117.7 . . . no
H3 O4 H5 60.0 . . . no
H3 O4 H6 75.4 . . . no
H3 O4 H6 46.9 . . . no
H3 O4 H7 82.4 . . . no
H3 O4 H7 126.1 . . . no
H3 O4 H4 117.7 1_545 1_545 1_545 no
H3 O4 H4 23.7 1_545 1_545 1_545 no
H3 O4 H5 60.0 1_545 1_545 1_545 no
H3 O4 H6 46.9 1_545 1_545 1_545 no
H3 O4 H6 75.4 1_545 1_545 1_545 no
H3 O4 H7 126.1 1_545 1_545 1_545 no
H3 O4 H7 82.5 1_545 1_545 1_545 no
H4 O4 H4 108.2 . . . no
H4 O4 H5 72.7 . . . no
H4 O4 H6 88.0 . . . no
H4 O4 H6 63.6 . . . no
H4 O4 H7 62.0 . . . no
H4 O4 H7 102.4 . . . no
H4 O4 H5 72.7 7_545 7_545 7_545 no
H4 O4 H6 63.6 7_545 7_545 7_545 no
H4 O4 H6 88.0 7_545 7_545 7_545 no
H4 O4 H7 102.4 7_545 7_545 7_545 no
H4 O4 H7 62.0 7_545 7_545 7_545 no
H5 O4 H6 15.6 4_655 4_655 4_655 no
H5 O4 H6 15.6 4_655 4_655 4_655 no
H5 O4 H7 130.4 4_655 4_655 4_655 no
H5 O4 H7 130.4 4_655 4_655 4_655 no
H6 O4 H6 29.3 6_645 6_645 6_645 no
H6 O4 H7 142.2 6_645 6_645 6_645 no
H6 O4 H7 125.2 6_645 6_645 6_645 no
H6 O4 H7 125.2 4_655 4_655 4_655 no
H6 O4 H7 142.2 4_655 4_655 4_655 no
H7 O4 H7 50.0 . . . no
O1 N1 O2 74.57(13) . . . ?
O1 N1 O2 74.57(13) . . . ?
O1 N1 O4 110.69(13) . . . ?
O1 N1 O4 110.69(13) . . . ?
O1 N1 N2 59.2(2) . . . ?
O1 N1 N3 93.1(2) . . . ?
O1 N1 N3 93.1(2) . . . ?
O1 N1 C1 26.1(3) . . . ?
O1 N1 C2 88.5(3) . . . ?
O1 N1 C3 118.5(3) . . . ?
O1 N1 C4 149.5(5) . . . ?
O1 N1 C5 179.1(3) . . . ?
O1 N1 C7 88.7(5) . . . ?
O1 N1 C8 89.0(3) . . . ?
O1 N1 C8 89.0(3) . . . ?
O1 N1 C9 89.0(2) . . . ?
O1 N1 C9 89.0(2) . . . ?
O1 N1 H1 51.0 . . . no
O1 N1 H2 127.0 . . . no
O1 N1 H3 169.4 . . . no
O1 N1 H4 158.8 . . . no
O1 N1 H4 158.8 . . . no
O1 N1 H7 89.9 . . . no
O1 N1 H7 89.9 . . . no
O2 N1 O2 140.3(2) . . . ?
O2 N1 O4 36.17(12) . . . ?
O2 N1 O4 157.4(2) . . . ?
O2 N1 N2 71.48(12) . . . ?
O2 N1 N3 20.54(11) . . . ?
O2 N1 N3 144.2(2) . . . ?
O2 N1 C1 70.63(12) . . . ?
O2 N1 C2 77.42(13) . . . ?
O2 N1 C3 86.6(1) . . . ?
O2 N1 C4 97.0(2) . . . ?
O2 N1 C5 105.6(1) . . . ?
O2 N1 C7 101.8(2) . . . ?
O2 N1 C8 74.3(2) . . . ?
O2 N1 C8 129.2(2) . . . ?
O2 N1 C9 84.4(2) . . . ?
O2 N1 C9 119.3(2) . . . ?
O2 N1 H1 70.6 . . . no
O2 N1 H2 89.5 . . . no
O2 N1 H3 102.9 . . . no
O2 N1 H4 91.5 . . . no
O2 N1 H4 124.3 . . . no
O2 N1 H7 53.8 . . . no
O2 N1 H7 149.1 . . . no
O2 N1 O4 157.4(2) 1_565 1_565 1_565 ?
O2 N1 O4 36.18(12) 1_565 1_565 1_565 ?
O2 N1 N2 71.50(12) 1_565 1_565 1_565 ?
O2 N1 N3 144.2(2) 1_565 1_565 1_565 ?
O2 N1 N3 20.54(11) 1_565 1_565 1_565 ?
O2 N1 C1 70.64(12) 1_565 1_565 1_565 ?
O2 N1 C2 77.45(13) 1_565 1_565 1_565 ?
O2 N1 C3 86.7(1) 1_565 1_565 1_565 ?
O2 N1 C4 97.0(2) 1_565 1_565 1_565 ?
O2 N1 C5 105.6(1) 1_565 1_565 1_565 ?
O2 N1 C7 101.8(2) 1_565 1_565 1_565 ?
O2 N1 C8 129.2(2) 1_565 1_565 1_565 ?
O2 N1 C8 74.2(2) 1_565 1_565 1_565 ?
O2 N1 C9 119.3(2) 1_565 1_565 1_565 ?
O2 N1 C9 84.3(2) 1_565 1_565 1_565 ?
O2 N1 H1 70.7 1_565 1_565 1_565 no
O2 N1 H2 89.5 1_565 1_565 1_565 no
O2 N1 H3 102.9 1_565 1_565 1_565 no
O2 N1 H4 124.3 1_565 1_565 1_565 no
O2 N1 H4 91.5 1_565 1_565 1_565 no
O2 N1 H7 149.1 1_565 1_565 1_565 no
O2 N1 H7 53.8 1_565 1_565 1_565 no
O4 N1 O4 133.8(2) . . . ?
O4 N1 N2 92.0(1) . . . ?
O4 N1 N3 20.60(11) . . . ?
O4 N1 N3 140.6(2) . . . ?
O4 N1 C1 104.0(2) . . . ?
O4 N1 C2 80.7(1) . . . ?
O4 N1 C3 71.42(13) . . . ?
O4 N1 C4 66.98(12) . . . ?
O4 N1 C5 69.49(13) . . . ?
O4 N1 C7 100.3(2) . . . ?
O4 N1 C8 73.4(2) . . . ?
O4 N1 C8 126.7(2) . . . ?
O4 N1 C9 83.2(1) . . . ?
O4 N1 C9 117.1(2) . . . ?
O4 N1 H1 95.1 . . . no
O4 N1 H2 69.6 . . . no
O4 N1 H3 67.8 . . . no
O4 N1 H4 56.3 . . . no
O4 N1 H4 88.4 . . . no
O4 N1 H7 53.2 . . . no
O4 N1 H7 144.9 . . . no
O4 N1 N2 92.0(1) 1_565 1_565 1_565 ?
O4 N1 N3 140.6(2) 1_565 1_565 1_565 ?
O4 N1 N3 20.60(11) 1_565 1_565 1_565 ?
O4 N1 C1 104.0(2) 1_565 1_565 1_565 ?
O4 N1 C2 80.7(1) 1_565 1_565 1_565 ?
O4 N1 C3 71.45(13) 1_565 1_565 1_565 ?
O4 N1 C4 67.00(12) 1_565 1_565 1_565 ?
O4 N1 C5 69.49(13) 1_565 1_565 1_565 ?
O4 N1 C7 100.3(2) 1_565 1_565 1_565 ?
O4 N1 C8 126.7(2) 1_565 1_565 1_565 ?
O4 N1 C8 73.3(2) 1_565 1_565 1_565 ?
O4 N1 C9 117.1(2) 1_565 1_565 1_565 ?
O4 N1 C9 83.2(1) 1_565 1_565 1_565 ?
O4 N1 H1 95.2 1_565 1_565 1_565 no
O4 N1 H2 69.6 1_565 1_565 1_565 no
O4 N1 H3 67.8 1_565 1_565 1_565 no
O4 N1 H4 88.3 1_565 1_565 1_565 no
O4 N1 H4 56.3 1_565 1_565 1_565 no
O4 N1 H7 144.9 1_565 1_565 1_565 no
O4 N1 H7 53.2 1_565 1_565 1_565 no
N2 N1 N3 73.3(1) . . . ?
N2 N1 N3 73.3(1) . . . ?
N2 N1 C1 33.1(4) . . . ?
N2 N1 C2 29.4(2) . . . ?
N2 N1 C3 59.4(2) . . . ?
N2 N1 C4 90.4(4) . . . ?
N2 N1 C5 121.8(3) . . . ?
N2 N1 C7 147.9(5) . . . ?
N2 N1 C8 138.1(3) . . . ?
N2 N1 C8 138.1(3) . . . ?
N2 N1 C9 143.7(3) . . . ?
N2 N1 C9 143.7(3) . . . ?
N2 N1 H1 8.1 . . . no
N2 N1 H2 67.8 . . . no
N2 N1 H3 110.2 . . . no
N2 N1 H4 131.8 . . . no
N2 N1 H4 131.8 . . . no
N2 N1 H7 123.1 . . . no
N2 N1 H7 123.1 . . . no
N3 N1 N3 136.5(3) . . . ?
N3 N1 C1 83.6(2) . . . ?
N3 N1 C2 68.56(12) . . . ?
N3 N1 C3 69.61(13) . . . ?
N3 N1 C4 76.5(2) . . . ?
N3 N1 C5 87.2(2) . . . ?
N3 N1 C7 111.60(12) . . . ?
N3 N1 C8 82.9(2) . . . ?
N3 N1 C8 140.2(2) . . . ?
N3 N1 C9 93.4(2) . . . ?
N3 N1 C9 129.8(2) . . . ?
N3 N1 H1 75.5 . . . no
N3 N1 H2 71.0 . . . no
N3 N1 H3 83.0 . . . no
N3 N1 H4 76.4 . . . no
N3 N1 H4 107.2 . . . no
N3 N1 H7 61.2 . . . no
N3 N1 H7 161.7 . . . no
N3 N1 C1 83.6(2) 1_565 1_565 1_565 ?
N3 N1 C2 68.59(12) 1_565 1_565 1_565 ?
N3 N1 C3 69.63(13) 1_565 1_565 1_565 ?
N3 N1 C4 76.5(2) 1_565 1_565 1_565 ?
N3 N1 C5 87.2(2) 1_565 1_565 1_565 ?
N3 N1 C7 111.57(12) 1_565 1_565 1_565 ?
N3 N1 C8 140.2(2) 1_565 1_565 1_565 ?
N3 N1 C8 82.9(2) 1_565 1_565 1_565 ?
N3 N1 C9 129.7(2) 1_565 1_565 1_565 ?
N3 N1 C9 93.4(2) 1_565 1_565 1_565 ?
N3 N1 H1 75.5 1_565 1_565 1_565 no
N3 N1 H2 71.0 1_565 1_565 1_565 no
N3 N1 H3 83.0 1_565 1_565 1_565 no
N3 N1 H4 107.2 1_565 1_565 1_565 no
N3 N1 H4 76.4 1_565 1_565 1_565 no
N3 N1 H7 161.7 1_565 1_565 1_565 no
N3 N1 H7 61.2 1_565 1_565 1_565 no
C1 N1 C2 62.5(4) . . . ?
C1 N1 C3 92.5(4) . . . ?
C1 N1 C4 123.5(6) . . . ?
C1 N1 C5 154.9(5) . . . ?
C1 N1 C7 114.7(6) . . . ?
C1 N1 C8 111.7(4) . . . ?
C1 N1 C8 111.7(4) . . . ?
C1 N1 C9 113.6(4) . . . ?
C1 N1 C9 113.6(4) . . . ?
C1 N1 H1 25.0 . . . no
C1 N1 H2 100.9 . . . no
C1 N1 H3 143.3 . . . no
C1 N1 H4 159.1 . . . no
C1 N1 H4 159.2 . . . no
C1 N1 H7 106.2 . . . no
C1 N1 H7 106.2 . . . no
C2 N1 C3 30.0(2) . . . ?
C2 N1 C4 61.0(4) . . . ?
C2 N1 C5 92.4(3) . . . ?
C2 N1 C7 177.2(5) . . . ?
C2 N1 C8 151.2(1) . . . ?
C2 N1 C8 151.2(1) . . . ?
C2 N1 C9 161.62(11) . . . ?
C2 N1 C9 161.63(11) . . . ?
C2 N1 H1 37.5 . . . no
C2 N1 H2 38.4 . . . no
C2 N1 H3 80.8 . . . no
C2 N1 H4 104.1 . . . no
C2 N1 H4 104.1 . . . no
C2 N1 H7 129.6 . . . no
C2 N1 H7 129.6 . . . no
C3 N1 C4 31.0(4) . . . ?
C3 N1 C5 62.4(3) . . . ?
C3 N1 C7 152.8(6) . . . ?
C3 N1 C8 141.1(3) . . . ?
C3 N1 C8 141.1(3) . . . ?
C3 N1 C9 147.5(3) . . . ?
C3 N1 C9 147.5(3) . . . ?
C3 N1 H1 67.5 . . . no
C3 N1 H2 8.5 . . . no
C3 N1 H3 50.9 . . . no
C3 N1 H4 75.4 . . . no
C3 N1 H4 75.4 . . . no
C3 N1 H7 124.1 . . . no
C3 N1 H7 124.2 . . . no
C4 N1 C5 31.4(4) . . . ?
C4 N1 C7 121.8(6) . . . ?
C4 N1 C8 117.3(4) . . . ?
C4 N1 C8 117.3(4) . . . ?
C4 N1 C9 119.8(4) . . . ?
C4 N1 C9 119.8(4) . . . ?
C4 N1 H1 98.5 . . . no
C4 N1 H2 22.6 . . . no
C4 N1 H3 19.9 . . . no
C4 N1 H4 46.2 . . . no
C4 N1 H4 46.2 . . . no
C4 N1 H7 109.0 . . . no
C4 N1 H7 109.0 . . . no
C5 N1 C7 90.4(5) . . . ?
C5 N1 C8 90.1(3) . . . ?
C5 N1 C8 90.1(3) . . . ?
C5 N1 C9 90.1(3) . . . ?
C5 N1 C9 90.1(3) . . . ?
C5 N1 H1 129.9 . . . no
C5 N1 H2 54.0 . . . no
C5 N1 H3 11.5 . . . no
C5 N1 H4 20.6 . . . no
C5 N1 H4 20.6 . . . no
C5 N1 H7 89.5 . . . no
C5 N1 H7 89.5 . . . no
C7 N1 C8 28.7(1) . . . ?
C7 N1 C8 28.7(1) . . . ?
C7 N1 C9 18.21(10) . . . ?
C7 N1 C9 18.20(10) . . . ?
C7 N1 H1 139.7 . . . no
C7 N1 H2 144.3 . . . no
C7 N1 H3 101.9 . . . no
C7 N1 H4 78.5 . . . no
C7 N1 H4 78.5 . . . no
C7 N1 H7 50.4 . . . no
C7 N1 H7 50.4 . . . no
C8 N1 C8 57.4(3) . . . ?
C8 N1 C9 10.5(2) . . . ?
C8 N1 C9 46.9(2) . . . ?
C8 N1 H1 132.2 . . . no
C8 N1 H2 135.3 . . . no
C8 N1 H3 100.2 . . . no
C8 N1 H4 71.6 . . . no
C8 N1 H4 87.7 . . . no
C8 N1 H7 21.7 . . . no
C8 N1 H7 79.1 . . . no
C8 N1 C9 46.9(2) 7 7 7 ?
C8 N1 C9 10.5(2) 7 7 7 ?
C8 N1 H1 132.2 7 7 7 no
C8 N1 H2 135.3 7 7 7 no
C8 N1 H3 100.2 7 7 7 no
C8 N1 H4 87.7 7 7 7 no
C8 N1 H4 71.6 7 7 7 no
C8 N1 H7 79.1 7 7 7 no
C8 N1 H7 21.7 7 7 7 no
C9 N1 C9 36.4(2) . . . ?
C9 N1 H1 136.6 . . . no
C9 N1 H2 140.3 . . . no
C9 N1 H3 101.1 . . . no
C9 N1 H4 73.6 . . . no
C9 N1 H4 84.1 . . . no
C9 N1 H7 32.2 . . . no
C9 N1 H7 68.6 . . . no
C9 N1 H1 136.6 7 7 7 no
C9 N1 H2 140.3 7 7 7 no
C9 N1 H3 101.1 7 7 7 no
C9 N1 H4 84.1 7 7 7 no
C9 N1 H4 73.6 7 7 7 no
C9 N1 H7 68.6 7 7 7 no
C9 N1 H7 32.2 7 7 7 no
H1 N1 H2 75.9 . . . no
H1 N1 H3 118.4 . . . no
H1 N1 H4 139.3 . . . no
H1 N1 H4 139.3 . . . no
H1 N1 H7 119.6 . . . no
H1 N1 H7 119.7 . . . no
H2 N1 H3 42.4 . . . no
H2 N1 H4 67.4 . . . no
H2 N1 H4 67.4 . . . no
H2 N1 H7 120.7 . . . no
H2 N1 H7 120.7 . . . no
H3 N1 H4 28.8 . . . no
H3 N1 H4 28.8 . . . no
H3 N1 H7 96.9 . . . no
H3 N1 H7 96.9 . . . no
H4 N1 H4 33.2 . . . no
H4 N1 H7 69.0 . . . no
H4 N1 H7 94.7 . . . no
H4 N1 H7 94.7 7 7 7 no
H4 N1 H7 69.0 7 7 7 no
H7 N1 H7 100.7 . . . no
O1 N2 O2 73.26(13) . . . ?
O1 N2 O2 73.23(13) . . . ?
O1 N2 O3 108.90(12) . . . ?
O1 N2 O3 108.87(13) . . . ?
O1 N2 O3 80.2(2) . . . ?
O1 N2 O4 116.5(2) . . . ?
O1 N2 N1 59.5(2) . . . ?
O1 N2 N3 90.1(2) . . . ?
O1 N2 N3 90.0(2) . . . ?
O1 N2 N3 97.1(2) . . . ?
O1 N2 C1 26.8(4) . . . ?
O1 N2 C2 150.7(5) . . . ?
O1 N2 C3 120.0(3) . . . ?
O1 N2 C3 96.1(2) . . . ?
O1 N2 C3 96.1(2) . . . ?
O1 N2 C4 89.5(3) . . . ?
O1 N2 C6 176.6(3) . . . ?
O1 N2 C7 47.3(2) . . . ?
O1 N2 H1 91.7 . . . no
O1 N2 H2 128.8 . . . no
O1 N2 H2 99.1 . . . no
O1 N2 H2 99.0 . . . no
O1 N2 H5 172.3 . . . no
O1 N2 H5 62.1 . . . no
O1 N2 H5 62.1 . . . no
O1 N2 H6 156.0 . . . no
O1 N2 H6 156.0 . . . no
O2 N2 O2 134.5(2) . . . ?
O2 N2 O3 35.72(11) . . . ?
O2 N2 O3 148.1(2) . . . ?
O2 N2 O3 101.8(1) . . . ?
O2 N2 O4 111.03(11) . . . ?
O2 N2 N1 68.42(11) . . . ?
O2 N2 N3 19.91(11) . . . ?
O2 N2 N3 135.4(2) . . . ?
O2 N2 N3 106.92(12) . . . ?
O2 N2 C1 68.10(12) . . . ?
O2 N2 C2 97.2(2) . . . ?
O2 N2 C3 85.5(1) . . . ?
O2 N2 C3 56.78(11) . . . ?
O2 N2 C3 156.5(2) . . . ?
O2 N2 C4 74.96(12) . . . ?
O2 N2 C6 107.6(1) . . . ?
O2 N2 C7 67.39(11) . . . ?
O2 N2 H1 105.4 . . . no
O2 N2 H2 88.9 . . . no
O2 N2 H2 47.3 . . . no
O2 N2 H2 168.4 . . . no
O2 N2 H5 104.5 . . . no
O2 N2 H5 34.0 . . . no
O2 N2 H5 135.2 . . . no
O2 N2 H6 96.2 . . . no
O2 N2 H6 125.5 . . . no
O2 N2 O3 148.1(2) 1_565 1_565 1_565 ?
O2 N2 O3 35.71(11) 1_565 1_565 1_565 ?
O2 N2 O3 101.8(1) 1_565 1_565 1_565 ?
O2 N2 O4 111.05(11) 1_565 1_565 1_565 ?
O2 N2 N1 68.40(11) 1_565 1_565 1_565 ?
O2 N2 N3 135.4(2) 1_565 1_565 1_565 ?
O2 N2 N3 19.91(11) 1_565 1_565 1_565 ?
O2 N2 N3 106.93(12) 1_565 1_565 1_565 ?
O2 N2 C1 68.07(12) 1_565 1_565 1_565 ?
O2 N2 C2 97.2(2) 1_565 1_565 1_565 ?
O2 N2 C3 85.5(1) 1_565 1_565 1_565 ?
O2 N2 C3 156.5(2) 1_565 1_565 1_565 ?
O2 N2 C3 56.78(11) 1_565 1_565 1_565 ?
O2 N2 C4 74.94(12) 1_565 1_565 1_565 ?
O2 N2 C6 107.6(1) 1_565 1_565 1_565 ?
O2 N2 C7 67.37(11) 1_565 1_565 1_565 ?
O2 N2 H1 105.4 1_565 1_565 1_565 no
O2 N2 H2 88.9 1_565 1_565 1_565 no
O2 N2 H2 168.4 1_565 1_565 1_565 no
O2 N2 H2 47.3 1_565 1_565 1_565 no
O2 N2 H5 104.6 1_565 1_565 1_565 no
O2 N2 H5 135.2 1_565 1_565 1_565 no
O2 N2 H5 34.0 1_565 1_565 1_565 no
O2 N2 H6 125.5 1_565 1_565 1_565 no
O2 N2 H6 96.2 1_565 1_565 1_565 no
O3 N2 O3 128.4(2) . . . ?
O3 N2 O3 109.98(10) . . . ?
O3 N2 O4 96.63(12) . . . ?
O3 N2 N1 85.0(1) . . . ?
O3 N2 N3 20.60(10) . . . ?
O3 N2 N3 132.6(2) . . . ?
O3 N2 N3 104.38(12) . . . ?
O3 N2 C1 99.1(2) . . . ?
O3 N2 C2 64.87(12) . . . ?
O3 N2 C3 65.56(12) . . . ?
O3 N2 C3 54.85(12) . . . ?
O3 N2 C3 148.7(2) . . . ?
O3 N2 C4 73.26(13) . . . ?
O3 N2 C6 72.16(13) . . . ?
O3 N2 C7 90.34(13) . . . ?
O3 N2 H1 106.3 . . . no
O3 N2 H2 64.6 . . . no
O3 N2 H2 42.2 . . . no
O3 N2 H2 151.3 . . . no
O3 N2 H5 68.9 . . . no
O3 N2 H5 59.0 . . . no
O3 N2 H5 170.9 . . . no
O3 N2 H6 64.2 . . . no
O3 N2 H6 91.5 . . . no
O3 N2 O3 109.99(10) 1_565 1_565 1_565 ?
O3 N2 O4 96.65(12) 1_565 1_565 1_565 ?
O3 N2 N1 85.0(1) 1_565 1_565 1_565 ?
O3 N2 N3 132.6(2) 1_565 1_565 1_565 ?
O3 N2 N3 20.60(10) 1_565 1_565 1_565 ?
O3 N2 N3 104.39(12) 1_565 1_565 1_565 ?
O3 N2 C1 99.1(2) 1_565 1_565 1_565 ?
O3 N2 C2 64.88(12) 1_565 1_565 1_565 ?
O3 N2 C3 65.55(12) 1_565 1_565 1_565 ?
O3 N2 C3 148.7(2) 1_565 1_565 1_565 ?
O3 N2 C3 54.85(12) 1_565 1_565 1_565 ?
O3 N2 C4 73.24(13) 1_565 1_565 1_565 ?
O3 N2 C6 72.19(13) 1_565 1_565 1_565 ?
O3 N2 C7 90.31(13) 1_565 1_565 1_565 ?
O3 N2 H1 106.3 1_565 1_565 1_565 no
O3 N2 H2 64.6 1_565 1_565 1_565 no
O3 N2 H2 151.3 1_565 1_565 1_565 no
O3 N2 H2 42.2 1_565 1_565 1_565 no
O3 N2 H5 68.9 1_565 1_565 1_565 no
O3 N2 H5 170.9 1_565 1_565 1_565 no
O3 N2 H5 59.0 1_565 1_565 1_565 no
O3 N2 H6 91.5 1_565 1_565 1_565 no
O3 N2 H6 64.3 1_565 1_565 1_565 no
O3 N2 O4 36.33(13) 4_654 4_654 4_654 ?
O3 N2 N1 139.7(3) 4_654 4_654 4_654 ?
O3 N2 N3 116.00(13) 4_654 4_654 4_654 ?
O3 N2 N3 116.01(13) 4_654 4_654 4_654 ?
O3 N2 N3 16.93(13) 4_654 4_654 4_654 ?
O3 N2 C1 106.9(5) 4_654 4_654 4_654 ?
O3 N2 C2 129.1(4) 4_654 4_654 4_654 ?
O3 N2 C3 159.8(3) 4_654 4_654 4_654 ?
O3 N2 C3 55.16(10) 4_654 4_654 4_654 ?
O3 N2 C3 55.17(10) 4_654 4_654 4_654 ?
O3 N2 C4 169.7(3) 4_654 4_654 4_654 ?
O3 N2 C6 96.4(2) 4_654 4_654 4_654 ?
O3 N2 C7 127.5(2) 4_654 4_654 4_654 ?
O3 N2 H1 11.5 4_654 4_654 4_654 no
O3 N2 H2 151.0 4_654 4_654 4_654 no
O3 N2 H2 67.9 4_654 4_654 4_654 no
O3 N2 H2 67.9 4_654 4_654 4_654 no
O3 N2 H5 107.5 4_654 4_654 4_654 no
O3 N2 H5 68.4 4_654 4_654 4_654 no
O3 N2 H5 68.4 4_654 4_654 4_654 no
O3 N2 H6 81.1 4_654 4_654 4_654 no
O3 N2 H6 81.1 4_654 4_654 4_654 no
O4 N2 N1 176.1(3) 4_654 4_654 4_654 ?
O4 N2 N3 113.41(11) 4_654 4_654 4_654 ?
O4 N2 N3 113.44(11) 4_654 4_654 4_654 ?
O4 N2 N3 19.40(11) 4_654 4_654 4_654 ?
O4 N2 C1 143.3(5) 4_654 4_654 4_654 ?
O4 N2 C2 92.8(4) 4_654 4_654 4_654 ?
O4 N2 C3 123.4(3) 4_654 4_654 4_654 ?
O4 N2 C3 54.34(9) 4_654 4_654 4_654 ?
O4 N2 C3 54.36(9) 4_654 4_654 4_654 ?
O4 N2 C4 153.9(3) 4_654 4_654 4_654 ?
O4 N2 C6 60.1(2) 4_654 4_654 4_654 ?
O4 N2 C7 163.8(2) 4_654 4_654 4_654 ?
O4 N2 H1 24.8 4_654 4_654 4_654 no
O4 N2 H2 114.7 4_654 4_654 4_654 no
O4 N2 H2 64.1 4_654 4_654 4_654 no
O4 N2 H2 64.1 4_654 4_654 4_654 no
O4 N2 H5 71.2 4_654 4_654 4_654 no
O4 N2 H5 87.0 4_654 4_654 4_654 no
O4 N2 H5 87.0 4_654 4_654 4_654 no
O4 N2 H6 46.3 4_654 4_654 4_654 no
O4 N2 H6 46.3 4_654 4_654 4_654 no
N1 N2 N3 67.50(12) . . . ?
N1 N2 N3 67.48(12) . . . ?
N1 N2 N3 156.7(3) . . . ?
N1 N2 C1 32.8(4) . . . ?
N1 N2 C2 91.2(4) . . . ?
N1 N2 C3 60.5(2) . . . ?
N1 N2 C3 124.73(11) . . . ?
N1 N2 C3 124.71(11) . . . ?
N1 N2 C4 30.0(2) . . . ?
N1 N2 C6 123.8(3) . . . ?
N1 N2 C7 12.2(2) . . . ?
N1 N2 H1 151.3 . . . no
N1 N2 H2 69.3 . . . no
N1 N2 H2 115.6 . . . no
N1 N2 H2 115.6 . . . no
N1 N2 H5 112.8 . . . no
N1 N2 H5 90.8 . . . no
N1 N2 H5 90.8 . . . no
N1 N2 H6 137.3 . . . no
N1 N2 H6 137.3 . . . no
N3 N2 N3 127.2(2) . . . ?
N3 N2 N3 116.18(11) . . . ?
N3 N2 C1 78.5(2) . . . ?
N3 N2 C2 77.4(2) . . . ?
N3 N2 C3 67.3(1) . . . ?
N3 N2 C3 63.55(12) . . . ?
N3 N2 C3 167.8(2) . . . ?
N3 N2 C4 63.60(12) . . . ?
N3 N2 C6 91.4(2) . . . ?
N3 N2 C7 70.97(13) . . . ?
N3 N2 H1 116.4 . . . no
N3 N2 H2 69.7 . . . no
N3 N2 H2 51.4 . . . no
N3 N2 H2 170.7 . . . no
N3 N2 H5 86.5 . . . no
N3 N2 H5 51.9 . . . no
N3 N2 H5 151.3 . . . no
N3 N2 H6 84.8 . . . no
N3 N2 H6 111.6 . . . no
N3 N2 N3 116.19(11) 1_565 1_565 1_565 ?
N3 N2 C1 78.5(2) 1_565 1_565 1_565 ?
N3 N2 C2 77.4(2) 1_565 1_565 1_565 ?
N3 N2 C3 67.3(1) 1_565 1_565 1_565 ?
N3 N2 C3 167.8(2) 1_565 1_565 1_565 ?
N3 N2 C3 63.55(12) 1_565 1_565 1_565 ?
N3 N2 C4 63.58(12) 1_565 1_565 1_565 ?
N3 N2 C6 91.4(2) 1_565 1_565 1_565 ?
N3 N2 C7 70.94(13) 1_565 1_565 1_565 ?
N3 N2 H1 116.4 1_565 1_565 1_565 no
N3 N2 H2 69.7 1_565 1_565 1_565 no
N3 N2 H2 170.7 1_565 1_565 1_565 no
N3 N2 H2 51.5 1_565 1_565 1_565 no
N3 N2 H5 86.5 1_565 1_565 1_565 no
N3 N2 H5 151.3 1_565 1_565 1_565 no
N3 N2 H5 51.9 1_565 1_565 1_565 no
N3 N2 H6 111.6 1_565 1_565 1_565 no
N3 N2 H6 84.9 1_565 1_565 1_565 no
N3 N2 C1 123.9(5) 4_654 4_654 4_654 ?
N3 N2 C2 112.2(4) 4_654 4_654 4_654 ?
N3 N2 C3 142.8(3) 4_654 4_654 4_654 ?
N3 N2 C3 52.64(9) 4_654 4_654 4_654 ?
N3 N2 C3 52.65(9) 4_654 4_654 4_654 ?
N3 N2 C4 173.3(3) 4_654 4_654 4_654 ?
N3 N2 C6 79.5(2) 4_654 4_654 4_654 ?
N3 N2 C7 144.4(2) 4_654 4_654 4_654 ?
N3 N2 H1 5.4 4_654 4_654 4_654 no
N3 N2 H2 134.1 4_654 4_654 4_654 no
N3 N2 H2 64.8 4_654 4_654 4_654 no
N3 N2 H2 64.8 4_654 4_654 4_654 no
N3 N2 H5 90.6 4_654 4_654 4_654 no
N3 N2 H5 76.6 4_654 4_654 4_654 no
N3 N2 H5 76.6 4_654 4_654 4_654 no
N3 N2 H6 64.8 4_654 4_654 4_654 no
N3 N2 H6 64.8 4_654 4_654 4_654 no
C1 N2 C2 123.9(6) . . . ?
C1 N2 C3 93.3(5) . . . ?
C1 N2 C3 111.4(2) . . . ?
C1 N2 C3 111.4(2) . . . ?
C1 N2 C4 62.8(4) . . . ?
C1 N2 C6 156.6(5) . . . ?
C1 N2 C7 20.6(4) . . . ?
C1 N2 H1 118.5 . . . no
C1 N2 H2 102.1 . . . no
C1 N2 H2 109.0 . . . no
C1 N2 H2 108.9 . . . no
C1 N2 H5 145.6 . . . no
C1 N2 H5 73.4 . . . no
C1 N2 H5 73.3 . . . no
C1 N2 H6 163.3 . . . no
C1 N2 H6 163.3 . . . no
C2 N2 C3 30.7(3) . . . ?
C2 N2 C3 101.5(2) . . . ?
C2 N2 C3 101.5(2) . . . ?
C2 N2 C4 61.2(4) . . . ?
C2 N2 C6 32.7(4) . . . ?
C2 N2 C7 103.4(4) . . . ?
C2 N2 H1 117.6 . . . no
C2 N2 H2 21.9 . . . no
C2 N2 H2 93.6 . . . no
C2 N2 H2 93.6 . . . no
C2 N2 H5 21.6 . . . no
C2 N2 H5 123.4 . . . no
C2 N2 H5 123.5 . . . no
C2 N2 H6 50.0 . . . no
C2 N2 H6 50.0 . . . no
C3 N2 C3 117.7(2) . . . ?
C3 N2 C3 117.7(2) . . . ?
C3 N2 C4 30.5(2) . . . ?
C3 N2 C6 63.3(3) . . . ?
C3 N2 C7 72.7(3) . . . ?
C3 N2 H1 148.2 . . . no
C3 N2 H2 8.8 . . . no
C3 N2 H2 106.0 . . . no
C3 N2 H2 106.0 . . . no
C3 N2 H5 52.3 . . . no
C3 N2 H5 119.2 . . . no
C3 N2 H5 119.2 . . . no
C3 N2 H6 79.4 . . . no
C3 N2 H6 79.4 . . . no
C3 N2 C3 105.2(2) 4_654 4_654 4_654 ?
C3 N2 C4 126.80(10) 4_654 4_654 4_654 ?
C3 N2 C6 81.8(2) 4_654 4_654 4_654 ?
C3 N2 C7 120.81(12) 4_654 4_654 4_654 ?
C3 N2 H1 53.0 4_654 4_654 4_654 no
C3 N2 H2 113.5 4_654 4_654 4_654 no
C3 N2 H2 12.7 4_654 4_654 4_654 no
C3 N2 H2 116.9 4_654 4_654 4_654 no
C3 N2 H5 88.5 4_654 4_654 4_654 no
C3 N2 H5 38.1 4_654 4_654 4_654 no
C3 N2 H5 122.5 4_654 4_654 4_654 no
C3 N2 H6 60.7 4_654 4_654 4_654 no
C3 N2 H6 85.2 4_654 4_654 4_654 no
C3 N2 C4 126.79(10) 4_664 4_664 4_664 ?
C3 N2 C6 81.9(2) 4_664 4_664 4_664 ?
C3 N2 C7 120.79(12) 4_664 4_664 4_664 ?
C3 N2 H1 53.1 4_664 4_664 4_664 no
C3 N2 H2 113.5 4_664 4_664 4_664 no
C3 N2 H2 116.9 4_664 4_664 4_664 no
C3 N2 H2 12.7 4_664 4_664 4_664 no
C3 N2 H5 88.5 4_664 4_664 4_664 no
C3 N2 H5 122.5 4_664 4_664 4_664 no
C3 N2 H5 38.1 4_664 4_664 4_664 no
C3 N2 H6 85.3 4_664 4_664 4_664 no
C3 N2 H6 60.7 4_664 4_664 4_664 no
C4 N2 C6 93.8(3) . . . ?
C4 N2 C7 42.2(2) . . . ?
C4 N2 H1 178.7 . . . no
C4 N2 H2 39.3 . . . no
C4 N2 H2 114.2 . . . no
C4 N2 H2 114.2 . . . no
C4 N2 H5 82.8 . . . no
C4 N2 H5 106.8 . . . no
C4 N2 H5 106.8 . . . no
C4 N2 H6 108.8 . . . no
C4 N2 H6 108.8 . . . no
C6 N2 C7 136.0(3) . . . ?
C6 N2 H1 84.9 . . . no
C6 N2 H2 54.6 . . . no
C6 N2 H2 79.6 . . . no
C6 N2 H2 79.6 . . . no
C6 N2 H5 11.1 . . . no
C6 N2 H5 116.7 . . . no
C6 N2 H5 116.8 . . . no
C6 N2 H6 21.5 . . . no
C6 N2 H6 21.5 . . . no
C7 N2 H1 139.0 . . . no
C7 N2 H2 81.5 . . . no
C7 N2 H2 114.1 . . . no
C7 N2 H2 114.0 . . . no
C7 N2 H5 125.0 . . . no
C7 N2 H5 84.1 . . . no
C7 N2 H5 84.1 . . . no
C7 N2 H6 148.4 . . . no
C7 N2 H6 148.4 . . . no
H1 N2 H2 139.5 . . . no
H1 N2 H2 65.6 . . . no
H1 N2 H2 65.6 . . . no
H1 N2 H5 96.0 . . . no
H1 N2 H5 73.8 . . . no
H1 N2 H5 73.9 . . . no
H1 N2 H6 69.9 . . . no
H1 N2 H6 69.9 . . . no
H2 N2 H2 102.7 . . . no
H2 N2 H2 102.7 . . . no
H2 N2 H5 43.5 . . . no
H2 N2 H5 121.4 . . . no
H2 N2 H5 121.4 . . . no
H2 N2 H6 70.9 . . . no
H2 N2 H6 70.9 . . . no
H2 N2 H2 128.0 4_654 4_654 4_654 no
H2 N2 H5 84.2 4_654 4_654 4_654 no
H2 N2 H5 37.3 4_654 4_654 4_654 no
H2 N2 H5 134.7 4_654 4_654 4_654 no
H2 N2 H6 59.8 4_654 4_654 4_654 no
H2 N2 H6 87.5 4_654 4_654 4_654 no
H2 N2 H5 84.2 4_664 4_664 4_664 no
H2 N2 H5 134.7 4_664 4_664 4_664 no
H2 N2 H5 37.3 4_664 4_664 4_664 no
H2 N2 H6 87.6 4_664 4_664 4_664 no
H2 N2 H6 59.8 4_664 4_664 4_664 no
H5 N2 H5 120.2 . . . no
H5 N2 H5 120.2 . . . no
H5 N2 H6 30.3 . . . no
H5 N2 H6 30.3 . . . no
H5 N2 H5 113.0 4_654 4_654 4_654 no
H5 N2 H6 97.0 4_654 4_654 4_654 no
H5 N2 H6 123.3 4_654 4_654 4_654 no
H5 N2 H6 123.3 4_664 4_664 4_664 no
H5 N2 H6 97.0 4_664 4_664 4_664 no
H6 N2 H6 29.7 . . . no
O2 N3 O3 119.4(7) . . . ?
O2 N3 O4 120.7(6) . . . ?
O2 N3 N1 77.7(2) . . . ?
O2 N3 N1 77.7(2) . . . ?
O2 N3 N2 75.3(2) . . . ?
O2 N3 N2 75.3(2) . . . ?
O2 N3 N2 159.8(5) . . . ?
O2 N3 C1 63.7(2) . . . ?
O2 N3 C1 63.7(2) . . . ?
O2 N3 C2 96.9(2) . . . ?
O2 N3 C2 97.0(2) . . . ?
O2 N3 C3 110.6(2) . . . ?
O2 N3 C3 110.6(2) . . . ?
O2 N3 C3 61.3(4) . . . ?
O2 N3 C4 100.7(2) . . . ?
O2 N3 C4 100.7(2) . . . ?
O2 N3 C8 64.3(3) . . . ?
O2 N3 C8 64.3(3) . . . ?
O2 N3 H1 157.9 . . . no
O2 N3 H2 123.9 . . . no
O2 N3 H2 123.9 . . . no
O2 N3 H2 65.6 . . . no
O2 N3 H4 109.1 . . . no
O2 N3 H4 109.1 . . . no
O2 N3 H5 21.7 . . . no
O2 N3 H6 156.1 . . . no
O2 N3 H6 156.1 . . . no
O2 N3 H7 62.1 . . . no
O2 N3 H7 62.1 . . . no
O3 N3 O4 119.9(7) . . . ?
O3 N3 N1 111.67(12) . . . ?
O3 N3 N1 111.64(12) . . . ?
O3 N3 N2 78.9(2) . . . ?
O3 N3 N2 78.9(2) . . . ?
O3 N3 N2 40.4(4) . . . ?
O3 N3 C1 101.7(2) . . . ?
O3 N3 C1 101.6(2) . . . ?
O3 N3 C2 65.7(1) . . . ?
O3 N3 C2 65.6(1) . . . ?
O3 N3 C3 75.5(2) . . . ?
O3 N3 C3 75.5(2) . . . ?
O3 N3 C3 58.1(4) . . . ?
O3 N3 C4 98.8(2) . . . ?
O3 N3 C4 98.8(2) . . . ?
O3 N3 C8 149.12(9) . . . ?
O3 N3 C8 149.11(9) . . . ?
O3 N3 H1 38.5 . . . no
O3 N3 H2 68.8 . . . no
O3 N3 H2 68.7 . . . no
O3 N3 H2 53.8 . . . no
O3 N3 H4 116.9 . . . no
O3 N3 H4 116.9 . . . no
O3 N3 H5 97.7 . . . no
O3 N3 H6 82.1 . . . no
O3 N3 H6 82.1 . . . no
O3 N3 H7 157.7 . . . no
O3 N3 H7 157.7 . . . no
O4 N3 N1 81.2(2) . . . ?
O4 N3 N1 81.2(2) . . . ?
O4 N3 N2 116.33(12) . . . ?
O4 N3 N2 116.34(12) . . . ?
O4 N3 N2 79.6(4) . . . ?
O4 N3 C1 104.0(2) . . . ?
O4 N3 C1 104.0(2) . . . ?
O4 N3 C2 106.7(2) . . . ?
O4 N3 C2 106.7(2) . . . ?
O4 N3 C3 84.1(2) . . . ?
O4 N3 C3 84.2(2) . . . ?
O4 N3 C3 178.0(5) . . . ?
O4 N3 C4 70.4(2) . . . ?
O4 N3 C4 70.4(2) . . . ?
O4 N3 C8 65.5(3) . . . ?
O4 N3 C8 65.5(3) . . . ?
O4 N3 H1 81.4 . . . no
O4 N3 H2 78.7 . . . no
O4 N3 H2 78.7 . . . no
O4 N3 H2 173.7 . . . no
O4 N3 H4 39.4 . . . no
O4 N3 H4 39.5 . . . no
O4 N3 H5 142.3 . . . no
O4 N3 H6 39.3 . . . no
O4 N3 H6 39.3 . . . no
O4 N3 H7 63.3 . . . no
O4 N3 H7 63.3 . . . no
N1 N3 N1 136.5(3) . . . ?
N1 N3 N2 39.19(11) . . . ?
N1 N3 N2 152.7(3) . . . ?
N1 N3 N2 107.7(2) . . . ?
N1 N3 C1 22.90(13) . . . ?
N1 N3 C1 138.0(3) . . . ?
N1 N3 C2 46.15(12) . . . ?
N1 N3 C2 172.0(3) . . . ?
N1 N3 C3 40.22(13) . . . ?
N1 N3 C3 165.4(3) . . . ?
N1 N3 C3 99.5(2) . . . ?
N1 N3 C4 23.0(1) . . . ?
N1 N3 C4 146.0(2) . . . ?
N1 N3 C8 37.45(12) . . . ?
N1 N3 C8 99.2(2) . . . ?
N1 N3 H1 108.1 . . . no
N1 N3 H2 52.0 . . . no
N1 N3 H2 156.2 . . . no
N1 N3 H2 100.9 . . . no
N1 N3 H4 43.1 . . . no
N1 N3 H4 116.2 . . . no
N1 N3 H5 85.1 . . . no
N1 N3 H6 105.3 . . . no
N1 N3 H6 84.7 . . . no
N1 N3 H7 46.1 . . . no
N1 N3 H7 90.5 . . . no
N1 N3 N2 152.7(3) 1_545 1_545 1_545 ?
N1 N3 N2 39.19(11) 1_545 1_545 1_545 ?
N1 N3 N2 107.7(2) 1_545 1_545 1_545 ?
N1 N3 C1 138.0(3) 1_545 1_545 1_545 ?
N1 N3 C1 22.90(13) 1_545 1_545 1_545 ?
N1 N3 C2 172.0(3) 1_545 1_545 1_545 ?
N1 N3 C2 46.15(12) 1_545 1_545 1_545 ?
N1 N3 C3 165.3(3) 1_545 1_545 1_545 ?
N1 N3 C3 40.22(13) 1_545 1_545 1_545 ?
N1 N3 C3 99.5(2) 1_545 1_545 1_545 ?
N1 N3 C4 146.0(2) 1_545 1_545 1_545 ?
N1 N3 C4 23.0(1) 1_545 1_545 1_545 ?
N1 N3 C8 99.2(2) 1_545 1_545 1_545 ?
N1 N3 C8 37.47(12) 1_545 1_545 1_545 ?
N1 N3 H1 108.1 1_545 1_545 1_545 no
N1 N3 H2 156.2 1_545 1_545 1_545 no
N1 N3 H2 52.0 1_545 1_545 1_545 no
N1 N3 H2 100.9 1_545 1_545 1_545 no
N1 N3 H4 116.2 1_545 1_545 1_545 no
N1 N3 H4 43.1 1_545 1_545 1_545 no
N1 N3 H5 85.1 1_545 1_545 1_545 no
N1 N3 H6 84.7 1_545 1_545 1_545 no
N1 N3 H6 105.3 1_545 1_545 1_545 no
N1 N3 H7 90.6 1_545 1_545 1_545 no
N1 N3 H7 46.1 1_545 1_545 1_545 no
N2 N3 N2 127.2(2) . . . ?
N2 N3 N2 96.48(12) . . . ?
N2 N3 C1 22.77(12) . . . ?
N2 N3 C1 133.1(3) . . . ?
N2 N3 C2 21.77(13) . . . ?
N2 N3 C2 134.0(2) . . . ?
N2 N3 C3 38.9(1) . . . ?
N2 N3 C3 153.0(2) . . . ?
N2 N3 C3 63.76(12) . . . ?
N2 N3 C4 46.1(1) . . . ?
N2 N3 C4 173.2(3) . . . ?
N2 N3 C8 72.54(13) . . . ?
N2 N3 C8 128.2(2) . . . ?
N2 N3 H1 95.7 . . . no
N2 N3 H2 50.7 . . . no
N2 N3 H2 147.4 . . . no
N2 N3 H2 64.1 . . . no
N2 N3 H4 77.0 . . . no
N2 N3 H4 154.8 . . . no
N2 N3 H5 68.2 . . . no
N2 N3 H6 122.3 . . . no
N2 N3 H6 101.0 . . . no
N2 N3 H7 80.4 . . . no
N2 N3 H7 120.8 . . . no
N2 N3 N2 96.46(12) 1_545 1_545 1_545 ?
N2 N3 C1 133.1(3) 1_545 1_545 1_545 ?
N2 N3 C1 22.77(12) 1_545 1_545 1_545 ?
N2 N3 C2 134.0(2) 1_545 1_545 1_545 ?
N2 N3 C2 21.77(13) 1_545 1_545 1_545 ?
N2 N3 C3 153.0(2) 1_545 1_545 1_545 ?
N2 N3 C3 38.9(1) 1_545 1_545 1_545 ?
N2 N3 C3 63.75(12) 1_545 1_545 1_545 ?
N2 N3 C4 173.2(3) 1_545 1_545 1_545 ?
N2 N3 C4 46.1(1) 1_545 1_545 1_545 ?
N2 N3 C8 128.3(2) 1_545 1_545 1_545 ?
N2 N3 C8 72.56(13) 1_545 1_545 1_545 ?
N2 N3 H1 95.6 1_545 1_545 1_545 no
N2 N3 H2 147.4 1_545 1_545 1_545 no
N2 N3 H2 50.7 1_545 1_545 1_545 no
N2 N3 H2 64.1 1_545 1_545 1_545 no
N2 N3 H4 154.8 1_545 1_545 1_545 no
N2 N3 H4 77.0 1_545 1_545 1_545 no
N2 N3 H5 68.2 1_545 1_545 1_545 no
N2 N3 H6 101.0 1_545 1_545 1_545 no
N2 N3 H6 122.3 1_545 1_545 1_545 no
N2 N3 H7 120.8 1_545 1_545 1_545 no
N2 N3 H7 80.4 1_545 1_545 1_545 no
N2 N3 C1 114.2(2) 4_655 4_655 4_655 ?
N2 N3 C1 114.2(2) 4_655 4_655 4_655 ?
N2 N3 C2 75.3(2) 4_655 4_655 4_655 ?
N2 N3 C2 75.3(2) 4_655 4_655 4_655 ?
N2 N3 C3 68.9(2) 4_655 4_655 4_655 ?
N2 N3 C3 68.8(2) 4_655 4_655 4_655 ?
N2 N3 C3 98.5(2) 4_655 4_655 4_655 ?
N2 N3 C4 85.6(2) 4_655 4_655 4_655 ?
N2 N3 C4 85.6(2) 4_655 4_655 4_655 ?
N2 N3 C8 131.6(2) 4_655 4_655 4_655 ?
N2 N3 C8 131.6(2) 4_655 4_655 4_655 ?
N2 N3 H1 1.9 4_655 4_655 4_655 no
N2 N3 H2 56.1 4_655 4_655 4_655 no
N2 N3 H2 56.1 4_655 4_655 4_655 no
N2 N3 H2 94.2 4_655 4_655 4_655 no
N2 N3 H4 86.4 4_655 4_655 4_655 no
N2 N3 H4 86.3 4_655 4_655 4_655 no
N2 N3 H5 138.1 4_655 4_655 4_655 no
N2 N3 H6 42.8 4_655 4_655 4_655 no
N2 N3 H6 42.8 4_655 4_655 4_655 no
N2 N3 H7 135.6 4_655 4_655 4_655 no
N2 N3 H7 135.6 4_655 4_655 4_655 no
C1 N3 C1 127.4(3) . . . ?
C1 N3 C2 40.0(1) . . . ?
C1 N3 C2 149.2(3) . . . ?
C1 N3 C3 47.1(2) . . . ?
C1 N3 C3 171.6(3) . . . ?
C1 N3 C3 76.8(2) . . . ?
C1 N3 C4 40.8(2) . . . ?
C1 N3 C4 158.6(3) . . . ?
C1 N3 C8 50.3(2) . . . ?
C1 N3 C8 106.3(2) . . . ?
C1 N3 H1 113.8 . . . no
C1 N3 H2 60.4 . . . no
C1 N3 H2 169.6 . . . no
C1 N3 H2 78.5 . . . no
C1 N3 H4 65.9 . . . no
C1 N3 H4 136.3 . . . no
C1 N3 H5 65.3 . . . no
C1 N3 H6 125.7 . . . no
C1 N3 H6 103.8 . . . no
C1 N3 H7 57.9 . . . no
C1 N3 H7 98.4 . . . no
C1 N3 C2 149.1(3) 1_545 1_545 1_545 ?
C1 N3 C2 40.0(1) 1_545 1_545 1_545 ?
C1 N3 C3 171.6(3) 1_545 1_545 1_545 ?
C1 N3 C3 47.1(2) 1_545 1_545 1_545 ?
C1 N3 C3 76.8(2) 1_545 1_545 1_545 ?
C1 N3 C4 158.6(3) 1_545 1_545 1_545 ?
C1 N3 C4 40.8(2) 1_545 1_545 1_545 ?
C1 N3 C8 106.3(2) 1_545 1_545 1_545 ?
C1 N3 C8 50.3(2) 1_545 1_545 1_545 ?
C1 N3 H1 113.8 1_545 1_545 1_545 no
C1 N3 H2 169.6 1_545 1_545 1_545 no
C1 N3 H2 60.4 1_545 1_545 1_545 no
C1 N3 H2 78.5 1_545 1_545 1_545 no
C1 N3 H4 136.3 1_545 1_545 1_545 no
C1 N3 H4 65.9 1_545 1_545 1_545 no
C1 N3 H5 65.3 1_545 1_545 1_545 no
C1 N3 H6 103.8 1_545 1_545 1_545 no
C1 N3 H6 125.7 1_545 1_545 1_545 no
C1 N3 H7 98.4 1_545 1_545 1_545 no
C1 N3 H7 57.9 1_545 1_545 1_545 no
C2 N3 C2 130.0(3) . . . ?
C2 N3 C3 22.6(1) . . . ?
C2 N3 C3 140.0(2) . . . ?
C2 N3 C3 72.7(2) . . . ?
C2 N3 C4 40.3(2) . . . ?
C2 N3 C4 160.8(3) . . . ?
C2 N3 C8 83.54(13) . . . ?
C2 N3 C8 144.8(2) . . . ?
C2 N3 H1 74.7 . . . no
C2 N3 H2 31.2 . . . no
C2 N3 H2 129.6 . . . no
C2 N3 H2 71.4 . . . no
C2 N3 H4 71.0 . . . no
C2 N3 H4 144.8 . . . no
C2 N3 H5 87.9 . . . no
C2 N3 H6 102.0 . . . no
C2 N3 H6 82.0 . . . no
C2 N3 H7 92.1 . . . no
C2 N3 H7 136.3 . . . no
C2 N3 C3 140.0(2) 1_545 1_545 1_545 ?
C2 N3 C3 22.6(1) 1_545 1_545 1_545 ?
C2 N3 C3 72.7(2) 1_545 1_545 1_545 ?
C2 N3 C4 160.8(3) 1_545 1_545 1_545 ?
C2 N3 C4 40.3(2) 1_545 1_545 1_545 ?
C2 N3 C8 144.8(2) 1_545 1_545 1_545 ?
C2 N3 C8 83.56(13) 1_545 1_545 1_545 ?
C2 N3 H1 74.7 1_545 1_545 1_545 no
C2 N3 H2 129.6 1_545 1_545 1_545 no
C2 N3 H2 31.2 1_545 1_545 1_545 no
C2 N3 H2 71.4 1_545 1_545 1_545 no
C2 N3 H4 144.8 1_545 1_545 1_545 no
C2 N3 H4 71.0 1_545 1_545 1_545 no
C2 N3 H5 87.9 1_545 1_545 1_545 no
C2 N3 H6 82.0 1_545 1_545 1_545 no
C2 N3 H6 102.0 1_545 1_545 1_545 no
C2 N3 H7 136.3 1_545 1_545 1_545 no
C2 N3 H7 92.2 1_545 1_545 1_545 no
C3 N3 C3 137.5(3) . . . ?
C3 N3 C3 95.2(1) . . . ?
C3 N3 C4 23.4(1) . . . ?
C3 N3 C4 146.9(3) . . . ?
C3 N3 C8 75.0(2) . . . ?
C3 N3 C8 134.2(2) . . . ?
C3 N3 H1 69.0 . . . no
C3 N3 H2 13.4 . . . no
C3 N3 H2 124.3 . . . no
C3 N3 H2 93.6 . . . no
C3 N3 H4 50.2 . . . no
C3 N3 H4 122.4 . . . no
C3 N3 H5 107.1 . . . no
C3 N3 H6 83.7 . . . no
C3 N3 H6 62.1 . . . no
C3 N3 H7 83.3 . . . no
C3 N3 H7 126.0 . . . no
C3 N3 C3 95.1(1) 1_545 1_545 1_545 ?
C3 N3 C4 146.9(3) 1_545 1_545 1_545 ?
C3 N3 C4 23.4(1) 1_545 1_545 1_545 ?
C3 N3 C8 134.2(2) 1_545 1_545 1_545 ?
C3 N3 C8 75.0(2) 1_545 1_545 1_545 ?
C3 N3 H1 68.9 1_545 1_545 1_545 no
C3 N3 H2 124.3 1_545 1_545 1_545 no
C3 N3 H2 13.4 1_545 1_545 1_545 no
C3 N3 H2 93.6 1_545 1_545 1_545 no
C3 N3 H4 122.4 1_545 1_545 1_545 no
C3 N3 H4 50.3 1_545 1_545 1_545 no
C3 N3 H5 107.1 1_545 1_545 1_545 no
C3 N3 H6 62.1 1_545 1_545 1_545 no
C3 N3 H6 83.7 1_545 1_545 1_545 no
C3 N3 H7 126.1 1_545 1_545 1_545 no
C3 N3 H7 83.3 1_545 1_545 1_545 no
C3 N3 C4 109.6(2) 4_654 4_654 4_654 ?
C3 N3 C4 109.6(2) 4_654 4_654 4_654 ?
C3 N3 C8 116.2(2) 4_654 4_654 4_654 ?
C3 N3 C8 116.2(2) 4_654 4_654 4_654 ?
C3 N3 H1 96.6 4_654 4_654 4_654 no
C3 N3 H2 100.2 4_654 4_654 4_654 no
C3 N3 H2 100.2 4_654 4_654 4_654 no
C3 N3 H2 4.3 4_654 4_654 4_654 no
C3 N3 H4 140.8 4_654 4_654 4_654 no
C3 N3 H4 140.7 4_654 4_654 4_654 no
C3 N3 H5 39.7 4_654 4_654 4_654 no
C3 N3 H6 138.8 4_654 4_654 4_654 no
C3 N3 H6 138.8 4_654 4_654 4_654 no
C3 N3 H7 118.5 4_654 4_654 4_654 no
C3 N3 H7 118.5 4_654 4_654 4_654 no
C4 N3 C4 140.7(3) . . . ?
C4 N3 C8 52.4(2) . . . ?
C4 N3 C8 110.9(2) . . . ?
C4 N3 H1 86.2 . . . no
C4 N3 H2 31.7 . . . no
C4 N3 H2 134.5 . . . no
C4 N3 H2 109.4 . . . no
C4 N3 H4 31.6 . . . no
C4 N3 H4 109.6 . . . no
C4 N3 H5 106.0 . . . no
C4 N3 H6 84.9 . . . no
C4 N3 H6 63.2 . . . no
C4 N3 H7 60.4 . . . no
C4 N3 H7 102.6 . . . no
C4 N3 C8 110.9(2) 1_545 1_545 1_545 ?
C4 N3 C8 52.4(2) 1_545 1_545 1_545 ?
C4 N3 H1 86.2 1_545 1_545 1_545 no
C4 N3 H2 134.5 1_545 1_545 1_545 no
C4 N3 H2 31.7 1_545 1_545 1_545 no
C4 N3 H2 109.4 1_545 1_545 1_545 no
C4 N3 H4 109.6 1_545 1_545 1_545 no
C4 N3 H4 31.6 1_545 1_545 1_545 no
C4 N3 H5 106.0 1_545 1_545 1_545 no
C4 N3 H6 63.2 1_545 1_545 1_545 no
C4 N3 H6 84.9 1_545 1_545 1_545 no
C4 N3 H7 102.7 1_545 1_545 1_545 no
C4 N3 H7 60.4 1_545 1_545 1_545 no
C8 N3 C8 61.7(2) . . . ?
C8 N3 H1 132.9 . . . no
C8 N3 H2 84.0 . . . no
C8 N3 H2 137.8 . . . no
C8 N3 H2 119.7 . . . no
C8 N3 H4 45.4 . . . no
C8 N3 H4 86.8 . . . no
C8 N3 H5 82.5 . . . no
C8 N3 H6 103.4 . . . no
C8 N3 H6 91.9 . . . no
C8 N3 H7 8.6 . . . no
C8 N3 H7 53.1 . . . no
C8 N3 H1 132.9 7_545 7_545 7_545 no
C8 N3 H2 137.8 7_545 7_545 7_545 no
C8 N3 H2 84.0 7_545 7_545 7_545 no
C8 N3 H2 119.7 7_545 7_545 7_545 no
C8 N3 H4 86.8 7_545 7_545 7_545 no
C8 N3 H4 45.4 7_545 7_545 7_545 no
C8 N3 H5 82.5 7_545 7_545 7_545 no
C8 N3 H6 91.9 7_545 7_545 7_545 no
C8 N3 H6 103.4 7_545 7_545 7_545 no
C8 N3 H7 53.1 7_545 7_545 7_545 no
C8 N3 H7 8.6 7_545 7_545 7_545 no
H1 N3 H2 56.3 4_655 4_655 4_655 no
H1 N3 H2 56.3 4_655 4_655 4_655 no
H1 N3 H2 92.3 4_655 4_655 4_655 no
H1 N3 H4 87.8 4_655 4_655 4_655 no
H1 N3 H4 87.8 4_655 4_655 4_655 no
H1 N3 H5 136.3 4_655 4_655 4_655 no
H1 N3 H6 44.5 4_655 4_655 4_655 no
H1 N3 H6 44.5 4_655 4_655 4_655 no
H1 N3 H7 137.2 4_655 4_655 4_655 no
H1 N3 H7 137.2 4_655 4_655 4_655 no
H2 N3 H2 111.0 . . . no
H2 N3 H2 97.9 . . . no
H2 N3 H4 50.9 . . . no
H2 N3 H4 114.2 . . . no
H2 N3 H5 118.7 . . . no
H2 N3 H6 71.7 . . . no
H2 N3 H6 50.9 . . . no
H2 N3 H7 91.7 . . . no
H2 N3 H7 130.8 . . . no
H2 N3 H2 97.9 1_545 1_545 1_545 no
H2 N3 H4 114.2 1_545 1_545 1_545 no
H2 N3 H4 51.0 1_545 1_545 1_545 no
H2 N3 H5 118.7 1_545 1_545 1_545 no
H2 N3 H6 50.9 1_545 1_545 1_545 no
H2 N3 H6 71.7 1_545 1_545 1_545 no
H2 N3 H7 130.9 1_545 1_545 1_545 no
H2 N3 H7 91.7 1_545 1_545 1_545 no
H2 N3 H4 140.9 4_654 4_654 4_654 no
H2 N3 H4 140.9 4_654 4_654 4_654 no
H2 N3 H5 43.9 4_654 4_654 4_654 no
H2 N3 H6 134.7 4_654 4_654 4_654 no
H2 N3 H6 134.7 4_654 4_654 4_654 no
H2 N3 H7 122.3 4_654 4_654 4_654 no
H2 N3 H7 122.3 4_654 4_654 4_654 no
H4 N3 H4 78.2 . . . no
H4 N3 H5 124.3 . . . no
H4 N3 H6 64.6 . . . no
H4 N3 H6 47.8 . . . no
H4 N3 H7 49.6 . . . no
H4 N3 H7 80.2 . . . no
H4 N3 H5 124.3 7_545 7_545 7_545 no
H4 N3 H6 47.8 7_545 7_545 7_545 no
H4 N3 H6 64.6 7_545 7_545 7_545 no
H4 N3 H7 80.2 7_545 7_545 7_545 no
H4 N3 H7 49.6 7_545 7_545 7_545 no
H5 N3 H6 168.9 4_654 4_654 4_654 no
H5 N3 H6 168.9 4_654 4_654 4_654 no
H5 N3 H7 82.0 4_654 4_654 4_654 no
H5 N3 H7 82.0 4_654 4_654 4_654 no
H6 N3 H6 22.2 6_645 6_645 6_645 no
H6 N3 H7 102.4 6_645 6_645 6_645 no
H6 N3 H7 94.0 6_645 6_645 6_645 no
H6 N3 H7 94.0 4_655 4_655 4_655 no
H6 N3 H7 102.4 4_655 4_655 4_655 no
H7 N3 H7 44.5 . . . no
O1 C1 O2 96.3(2) . . . ?
O1 C1 O2 96.3(2) . . . ?
O1 C1 O3 124.3(2) . . . ?
O1 C1 O3 124.3(2) . . . ?
O1 C1 O3 71.5(4) . . . ?
O1 C1 N1 123.9(6) . . . ?
O1 C1 N2 122.0(7) . . . ?
O1 C1 N3 116.2(2) . . . ?
O1 C1 N3 116.2(2) . . . ?
O1 C1 C2 149.3(6) . . . ?
O1 C1 C3 178.5(6) . . . ?
O1 C1 C4 151.8(6) . . . ?
O1 C1 C5 139.9(5) . . . ?
O1 C1 C6 136.9(5) . . . ?
O1 C1 C7 90.4(5) . . . ?
O1 C1 C8 84.2(4) . . . ?
O1 C1 C8 84.2(4) . . . ?
O1 C1 H1 98.0 . . . no
O1 C1 H2 178.5 . . . no
O1 C1 H3 17.9 . . . no
O1 C1 H5 68.2 . . . no
O1 C1 H5 68.2 . . . no
O1 C1 H6 126.4 . . . no
O1 C1 H6 126.4 . . . no
O1 C1 H7 89.0 . . . no
O1 C1 H7 89.0 . . . no
O2 C1 O2 167.0(4) . . . ?
O2 C1 O3 32.23(12) . . . ?
O2 C1 O3 137.2(3) . . . ?
O2 C1 O3 93.5(2) . . . ?
O2 C1 N1 85.2(2) . . . ?
O2 C1 N2 87.9(2) . . . ?
O2 C1 N3 19.88(11) . . . ?
O2 C1 N3 147.2(3) . . . ?
O2 C1 C2 85.3(2) . . . ?
O2 C1 C3 83.7(2) . . . ?
O2 C1 C4 83.7(2) . . . ?
O2 C1 C5 84.2(2) . . . ?
O2 C1 C6 86.4(2) . . . ?
O2 C1 C7 88.4(2) . . . ?
O2 C1 C8 68.1(2) . . . ?
O2 C1 C8 110.3(2) . . . ?
O2 C1 H1 90.6 . . . no
O2 C1 H2 83.7 . . . no
O2 C1 H3 96.5 . . . no
O2 C1 H5 35.7 . . . no
O2 C1 H5 155.7 . . . no
O2 C1 H6 77.8 . . . no
O2 C1 H6 97.0 . . . no
O2 C1 H7 51.2 . . . no
O2 C1 H7 126.0 . . . no
O2 C1 O3 137.2(3) 1_565 1_565 1_565 ?
O2 C1 O3 32.24(12) 1_565 1_565 1_565 ?
O2 C1 O3 93.5(2) 1_565 1_565 1_565 ?
O2 C1 N1 85.2(2) 1_565 1_565 1_565 ?
O2 C1 N2 88.0(2) 1_565 1_565 1_565 ?
O2 C1 N3 147.2(3) 1_565 1_565 1_565 ?
O2 C1 N3 19.88(11) 1_565 1_565 1_565 ?
O2 C1 C2 85.4(2) 1_565 1_565 1_565 ?
O2 C1 C3 83.7(2) 1_565 1_565 1_565 ?
O2 C1 C4 83.7(2) 1_565 1_565 1_565 ?
O2 C1 C5 84.2(2) 1_565 1_565 1_565 ?
O2 C1 C6 86.4(2) 1_565 1_565 1_565 ?
O2 C1 C7 88.4(2) 1_565 1_565 1_565 ?
O2 C1 C8 110.2(2) 1_565 1_565 1_565 ?
O2 C1 C8 68.0(2) 1_565 1_565 1_565 ?
O2 C1 H1 90.7 1_565 1_565 1_565 no
O2 C1 H2 83.7 1_565 1_565 1_565 no
O2 C1 H3 96.5 1_565 1_565 1_565 no
O2 C1 H5 155.7 1_565 1_565 1_565 no
O2 C1 H5 35.7 1_565 1_565 1_565 no
O2 C1 H6 97.1 1_565 1_565 1_565 no
O2 C1 H6 77.8 1_565 1_565 1_565 no
O2 C1 H7 126.0 1_565 1_565 1_565 no
O2 C1 H7 51.2 1_565 1_565 1_565 no
O3 C1 O3 105.3(2) . . . ?
O3 C1 O3 87.95(11) . . . ?
O3 C1 N1 82.7(3) . . . ?
O3 C1 N2 60.7(2) . . . ?
O3 C1 N3 18.06(10) . . . ?
O3 C1 N3 118.3(2) . . . ?
O3 C1 C2 53.16(10) . . . ?
O3 C1 C3 55.33(11) . . . ?
O3 C1 C4 67.1(2) . . . ?
O3 C1 C5 73.4(2) . . . ?
O3 C1 C6 55.56(10) . . . ?
O3 C1 C7 102.8(2) . . . ?
O3 C1 C8 88.7(2) . . . ?
O3 C1 C8 123.6(2) . . . ?
O3 C1 H1 72.5 . . . no
O3 C1 H2 55.3 . . . no
O3 C1 H3 117.8 . . . no
O3 C1 H5 56.3 . . . no
O3 C1 H5 145.5 . . . no
O3 C1 H6 49.8 . . . no
O3 C1 H6 67.8 . . . no
O3 C1 H7 72.7 . . . no
O3 C1 H7 132.4 . . . no
O3 C1 O3 87.97(11) 1_565 1_565 1_565 ?
O3 C1 N1 82.7(3) 1_565 1_565 1_565 ?
O3 C1 N2 60.7(2) 1_565 1_565 1_565 ?
O3 C1 N3 118.3(2) 1_565 1_565 1_565 ?
O3 C1 N3 18.06(10) 1_565 1_565 1_565 ?
O3 C1 C2 53.18(10) 1_565 1_565 1_565 ?
O3 C1 C3 55.33(11) 1_565 1_565 1_565 ?
O3 C1 C4 67.1(2) 1_565 1_565 1_565 ?
O3 C1 C5 73.4(2) 1_565 1_565 1_565 ?
O3 C1 C6 55.58(10) 1_565 1_565 1_565 ?
O3 C1 C7 102.8(2) 1_565 1_565 1_565 ?
O3 C1 C8 123.6(2) 1_565 1_565 1_565 ?
O3 C1 C8 88.7(2) 1_565 1_565 1_565 ?
O3 C1 H1 72.5 1_565 1_565 1_565 no
O3 C1 H2 55.3 1_565 1_565 1_565 no
O3 C1 H3 117.8 1_565 1_565 1_565 no
O3 C1 H5 145.4 1_565 1_565 1_565 no
O3 C1 H5 56.3 1_565 1_565 1_565 no
O3 C1 H6 67.8 1_565 1_565 1_565 no
O3 C1 H6 49.8 1_565 1_565 1_565 no
O3 C1 H7 132.4 1_565 1_565 1_565 no
O3 C1 H7 72.7 1_565 1_565 1_565 no
O3 C1 N1 164.6(5) 4_654 4_654 4_654 ?
O3 C1 N2 50.5(4) 4_654 4_654 4_654 ?
O3 C1 N3 100.5(2) 4_654 4_654 4_654 ?
O3 C1 N3 100.5(2) 4_654 4_654 4_654 ?
O3 C1 C2 77.8(3) 4_654 4_654 4_654 ?
O3 C1 C3 107.0(3) 4_654 4_654 4_654 ?
O3 C1 C4 136.7(3) 4_654 4_654 4_654 ?
O3 C1 C5 148.5(3) 4_654 4_654 4_654 ?
O3 C1 C6 65.4(2) 4_654 4_654 4_654 ?
O3 C1 C7 161.9(4) 4_654 4_654 4_654 ?
O3 C1 C8 147.9(2) 4_654 4_654 4_654 ?
O3 C1 C8 147.9(2) 4_654 4_654 4_654 ?
O3 C1 H1 26.4 4_654 4_654 4_654 no
O3 C1 H2 106.9 4_654 4_654 4_654 no
O3 C1 H3 53.6 4_654 4_654 4_654 no
O3 C1 H5 64.4 4_654 4_654 4_654 no
O3 C1 H5 64.4 4_654 4_654 4_654 no
O3 C1 H6 56.0 4_654 4_654 4_654 no
O3 C1 H6 56.0 4_654 4_654 4_654 no
O3 C1 H7 138.2 4_654 4_654 4_654 no
O3 C1 H7 138.2 4_654 4_654 4_654 no
N1 C1 N2 114.1(6) . . . ?
N1 C1 N3 73.5(2) . . . ?
N1 C1 N3 73.5(2) . . . ?
N1 C1 C2 86.8(5) . . . ?
N1 C1 C3 57.6(4) . . . ?
N1 C1 C4 27.9(3) . . . ?
N1 C1 C5 16.1(3) . . . ?
N1 C1 C6 99.2(4) . . . ?
N1 C1 C7 33.5(3) . . . ?
N1 C1 C8 44.5(3) . . . ?
N1 C1 C8 44.5(3) . . . ?
N1 C1 H1 138.2 . . . no
N1 C1 H2 57.7 . . . no
N1 C1 H3 141.8 . . . no
N1 C1 H5 118.8 . . . no
N1 C1 H5 118.8 . . . no
N1 C1 H6 108.9 . . . no
N1 C1 H6 108.9 . . . no
N1 C1 H7 49.6 . . . no
N1 C1 H7 49.6 . . . no
N2 C1 N3 78.7(2) . . . ?
N2 C1 N3 78.7(2) . . . ?
N2 C1 C2 27.3(3) . . . ?
N2 C1 C3 56.5(4) . . . ?
N2 C1 C4 86.2(5) . . . ?
N2 C1 C5 98.0(5) . . . ?
N2 C1 C6 14.9(3) . . . ?
N2 C1 C7 147.6(6) . . . ?
N2 C1 C8 147.0(4) . . . ?
N2 C1 C8 147.0(4) . . . ?
N2 C1 H1 24.1 . . . no
N2 C1 H2 56.4 . . . no
N2 C1 H3 104.1 . . . no
N2 C1 H5 85.1 . . . no
N2 C1 H5 85.2 . . . no
N2 C1 H6 10.9 . . . no
N2 C1 H6 10.9 . . . no
N2 C1 H7 132.8 . . . no
N2 C1 H7 132.9 . . . no
N3 C1 N3 127.4(3) . . . ?
N3 C1 C2 69.1(2) . . . ?
N3 C1 C3 63.9(2) . . . ?
N3 C1 C4 65.8(2) . . . ?
N3 C1 C5 68.5(2) . . . ?
N3 C1 C6 73.1(2) . . . ?
N3 C1 C7 87.2(2) . . . ?
N3 C1 C8 71.2(2) . . . ?
N3 C1 C8 109.1(2) . . . ?
N3 C1 H1 89.1 . . . no
N3 C1 H2 63.9 . . . no
N3 C1 H3 115.7 . . . no
N3 C1 H5 53.2 . . . no
N3 C1 H5 163.0 . . . no
N3 C1 H6 67.9 . . . no
N3 C1 H6 85.7 . . . no
N3 C1 H7 54.8 . . . no
N3 C1 H7 121.3 . . . no
N3 C1 C2 69.1(2) 1_565 1_565 1_565 ?
N3 C1 C3 63.9(2) 1_565 1_565 1_565 ?
N3 C1 C4 65.8(2) 1_565 1_565 1_565 ?
N3 C1 C5 68.5(2) 1_565 1_565 1_565 ?
N3 C1 C6 73.1(2) 1_565 1_565 1_565 ?
N3 C1 C7 87.2(2) 1_565 1_565 1_565 ?
N3 C1 C8 109.1(2) 1_565 1_565 1_565 ?
N3 C1 C8 71.2(2) 1_565 1_565 1_565 ?
N3 C1 H1 89.1 1_565 1_565 1_565 no
N3 C1 H2 63.9 1_565 1_565 1_565 no
N3 C1 H3 115.7 1_565 1_565 1_565 no
N3 C1 H5 163.0 1_565 1_565 1_565 no
N3 C1 H5 53.2 1_565 1_565 1_565 no
N3 C1 H6 85.7 1_565 1_565 1_565 no
N3 C1 H6 67.9 1_565 1_565 1_565 no
N3 C1 H7 121.3 1_565 1_565 1_565 no
N3 C1 H7 54.8 1_565 1_565 1_565 no
C2 C1 C3 29.2(2) . . . ?
C2 C1 C4 58.9(3) . . . ?
C2 C1 C5 70.8(3) . . . ?
C2 C1 C6 12.4(2) . . . ?
C2 C1 C7 120.3(4) . . . ?
C2 C1 C8 124.0(4) . . . ?
C2 C1 C8 124.0(4) . . . ?
C2 C1 H1 51.4 . . . no
C2 C1 H2 29.2 . . . no
C2 C1 H3 131.4 . . . no
C2 C1 H5 98.6 . . . no
C2 C1 H5 98.6 . . . no
C2 C1 H6 24.2 . . . no
C2 C1 H6 24.2 . . . no
C2 C1 H7 114.8 . . . no
C2 C1 H7 114.8 . . . no
C3 C1 C4 29.7(2) . . . ?
C3 C1 C5 41.5(2) . . . ?
C3 C1 C6 41.6(2) . . . ?
C3 C1 C7 91.1(4) . . . ?
C3 C1 C8 97.1(3) . . . ?
C3 C1 C8 97.1(3) . . . ?
C3 C1 H1 80.6 . . . no
C3 C1 H2 0.1 . . . no
C3 C1 H3 160.6 . . . no
C3 C1 H5 111.2 . . . no
C3 C1 H5 111.3 . . . no
C3 C1 H6 52.2 . . . no
C3 C1 H6 52.2 . . . no
C3 C1 H7 92.1 . . . no
C3 C1 H7 92.2 . . . no
C4 C1 C5 11.8(2) . . . ?
C4 C1 C6 71.3(3) . . . ?
C4 C1 C7 61.4(3) . . . ?
C4 C1 C8 69.5(3) . . . ?
C4 C1 C8 69.5(3) . . . ?
C4 C1 H1 110.3 . . . no
C4 C1 H2 29.8 . . . no
C4 C1 H3 169.7 . . . no
C4 C1 H5 118.9 . . . no
C4 C1 H5 118.9 . . . no
C4 C1 H6 81.4 . . . no
C4 C1 H6 81.4 . . . no
C4 C1 H7 69.0 . . . no
C4 C1 H7 69.0 . . . no
C5 C1 C6 83.1(2) . . . ?
C5 C1 C7 49.5(3) . . . ?
C5 C1 C8 58.7(2) . . . ?
C5 C1 C8 58.7(2) . . . ?
C5 C1 H1 122.1 . . . no
C5 C1 H2 41.6 . . . no
C5 C1 H3 157.8 . . . no
C5 C1 H5 119.8 . . . no
C5 C1 H5 119.8 . . . no
C5 C1 H6 93.0 . . . no
C5 C1 H6 93.0 . . . no
C5 C1 H7 60.3 . . . no
C5 C1 H7 60.3 . . . no
C6 C1 C7 132.7(4) . . . ?
C6 C1 C8 134.9(3) . . . ?
C6 C1 C8 135.0(3) . . . ?
C6 C1 H1 39.0 . . . no
C6 C1 H2 41.6 . . . no
C6 C1 H3 119.0 . . . no
C6 C1 H5 92.5 . . . no
C6 C1 H5 92.6 . . . no
C6 C1 H6 13.8 . . . no
C6 C1 H6 13.8 . . . no
C6 C1 H7 123.6 . . . no
C6 C1 H7 123.6 . . . no
C7 C1 C8 22.20(13) . . . ?
C7 C1 C8 22.19(13) . . . ?
C7 C1 H1 171.7 . . . no
C7 C1 H2 91.1 . . . no
C7 C1 H3 108.3 . . . no
C7 C1 H5 109.5 . . . no
C7 C1 H5 109.5 . . . no
C7 C1 H6 141.6 . . . no
C7 C1 H6 141.6 . . . no
C7 C1 H7 37.7 . . . no
C7 C1 H7 37.7 . . . no
C8 C1 C8 42.5(2) . . . ?
C8 C1 H1 158.7 . . . no
C8 C1 H2 97.2 . . . no
C8 C1 H3 100.9 . . . no
C8 C1 H5 87.5 . . . no
C8 C1 H5 125.7 . . . no
C8 C1 H6 136.8 . . . no
C8 C1 H6 148.2 . . . no
C8 C1 H7 17.0 . . . no
C8 C1 H7 59.1 . . . no
C8 C1 H1 158.7 7 7 7 no
C8 C1 H2 97.2 7 7 7 no
C8 C1 H3 100.9 7 7 7 no
C8 C1 H5 125.8 7 7 7 no
C8 C1 H5 87.5 7 7 7 no
C8 C1 H6 148.2 7 7 7 no
C8 C1 H6 136.8 7 7 7 no
C8 C1 H7 59.1 7 7 7 no
C8 C1 H7 17.0 7 7 7 no
H1 C1 H2 80.5 . . . no
H1 C1 H3 80.0 . . . no
H1 C1 H5 73.9 . . . no
H1 C1 H5 73.9 . . . no
H1 C1 H6 30.5 . . . no
H1 C1 H6 30.5 . . . no
H1 C1 H7 141.8 . . . no
H1 C1 H7 141.8 . . . no
H2 C1 H3 160.6 . . . no
H2 C1 H5 111.2 . . . no
H2 C1 H5 111.2 . . . no
H2 C1 H6 52.1 . . . no
H2 C1 H6 52.1 . . . no
H2 C1 H7 92.2 . . . no
H2 C1 H7 92.2 . . . no
H3 C1 H5 62.9 1_554 1_554 1_554 no
H3 C1 H5 62.9 1_554 1_554 1_554 no
H3 C1 H6 108.8 1_554 1_554 1_554 no
H3 C1 H6 108.8 1_554 1_554 1_554 no
H3 C1 H7 103.1 1_554 1_554 1_554 no
H3 C1 H7 103.1 1_554 1_554 1_554 no
H5 C1 H5 120.3 4_654 4_654 4_654 no
H5 C1 H6 79.2 4_654 4_654 4_654 no
H5 C1 H6 96.0 4_654 4_654 4_654 no
H5 C1 H7 74.1 4_654 4_654 4_654 no
H5 C1 H7 141.8 4_654 4_654 4_654 no
H5 C1 H6 96.0 4_664 4_664 4_664 no
H5 C1 H6 79.2 4_664 4_664 4_664 no
H5 C1 H7 141.8 4_664 4_664 4_664 no
H5 C1 H7 74.1 4_664 4_664 4_664 no
H6 C1 H6 19.3 . . . no
H6 C1 H7 122.1 . . . no
H6 C1 H7 137.4 . . . no
H6 C1 H7 137.4 7 7 7 no
H6 C1 H7 122.1 7 7 7 no
H7 C1 H7 75.3 . . . no
O1 C2 O2 57.37(11) . . . ?
O1 C2 O2 57.36(11) . . . ?
O1 C2 O2 171.4(3) . . . ?
O1 C2 O3 90.9(2) . . . ?
O1 C2 O3 90.9(2) . . . ?
O1 C2 O3 53.7(2) . . . ?
O1 C2 O4 86.1(2) . . . ?
O1 C2 N1 40.9(2) . . . ?
O1 C2 N2 18.6(3) . . . ?
O1 C2 N3 74.0(2) . . . ?
O1 C2 N3 74.0(2) . . . ?
O1 C2 C1 10.2(2) . . . ?
O1 C2 C3 100.7(4) . . . ?
O1 C2 C4 70.8(3) . . . ?
O1 C2 C5 81.8(2) . . . ?
O1 C2 C6 137.1(5) . . . ?
O1 C2 H1 43.8 . . . no
O1 C2 H1 117.3 . . . no
O1 C2 H1 117.3 . . . no
O1 C2 H2 125.2 . . . no
O1 C2 H2 75.2 . . . no
O1 C2 H2 75.2 . . . no
O1 C2 H3 96.2 . . . no
O1 C2 H5 162.9 . . . no
O1 C2 H6 117.1 . . . no
O1 C2 H6 117.1 . . . no
O2 C2 O2 111.4(2) . . . ?
O2 C2 O2 120.6(2) . . . ?
O2 C2 O3 33.81(11) . . . ?
O2 C2 O3 144.1(2) . . . ?
O2 C2 O3 79.2(2) . . . ?
O2 C2 O4 97.3(2) . . . ?
O2 C2 N1 59.01(11) . . . ?
O2 C2 N2 62.7(2) . . . ?
O2 C2 N3 18.25(11) . . . ?
O2 C2 N3 123.2(2) . . . ?
O2 C2 C1 55.97(11) . . . ?
O2 C2 C3 86.5(2) . . . ?
O2 C2 C4 70.6(2) . . . ?
O2 C2 C5 76.2(1) . . . ?
O2 C2 C6 120.4(2) . . . ?
O2 C2 H1 74.0 . . . no
O2 C2 H1 60.6 . . . no
O2 C2 H1 151.7 . . . no
O2 C2 H2 100.2 . . . no
O2 C2 H2 42.6 . . . no
O2 C2 H2 128.7 . . . no
O2 C2 H3 84.0 . . . no
O2 C2 H5 124.3 . . . no
O2 C2 H6 96.3 . . . no
O2 C2 H6 130.8 . . . no
O2 C2 O2 120.6(2) 1_565 1_565 1_565 ?
O2 C2 O3 144.1(2) 1_565 1_565 1_565 ?
O2 C2 O3 33.80(11) 1_565 1_565 1_565 ?
O2 C2 O3 79.2(2) 1_565 1_565 1_565 ?
O2 C2 O4 97.3(2) 1_565 1_565 1_565 ?
O2 C2 N1 58.98(11) 1_565 1_565 1_565 ?
O2 C2 N2 62.7(2) 1_565 1_565 1_565 ?
O2 C2 N3 123.2(2) 1_565 1_565 1_565 ?
O2 C2 N3 18.24(11) 1_565 1_565 1_565 ?
O2 C2 C1 55.95(11) 1_565 1_565 1_565 ?
O2 C2 C3 86.5(2) 1_565 1_565 1_565 ?
O2 C2 C4 70.6(2) 1_565 1_565 1_565 ?
O2 C2 C5 76.2(1) 1_565 1_565 1_565 ?
O2 C2 C6 120.5(2) 1_565 1_565 1_565 ?
O2 C2 H1 74.0 1_565 1_565 1_565 no
O2 C2 H1 151.7 1_565 1_565 1_565 no
O2 C2 H1 60.6 1_565 1_565 1_565 no
O2 C2 H2 100.2 1_565 1_565 1_565 no
O2 C2 H2 128.7 1_565 1_565 1_565 no
O2 C2 H2 42.6 1_565 1_565 1_565 no
O2 C2 H3 84.0 1_565 1_565 1_565 no
O2 C2 H5 124.3 1_565 1_565 1_565 no
O2 C2 H6 130.8 1_565 1_565 1_565 no
O2 C2 H6 96.3 1_565 1_565 1_565 no
O2 C2 O3 88.1(2) 4_655 4_655 4_655 ?
O2 C2 O3 88.1(2) 4_655 4_655 4_655 ?
O2 C2 O3 134.9(2) 4_655 4_655 4_655 ?
O2 C2 O4 102.5(2) 4_655 4_655 4_655 ?
O2 C2 N1 130.6(3) 4_655 4_655 4_655 ?
O2 C2 N2 170.0(5) 4_655 4_655 4_655 ?
O2 C2 N3 103.0(2) 4_655 4_655 4_655 ?
O2 C2 N3 103.0(2) 4_655 4_655 4_655 ?
O2 C2 C1 161.3(4) 4_655 4_655 4_655 ?
O2 C2 C3 70.7(4) 4_655 4_655 4_655 ?
O2 C2 C4 100.6(3) 4_655 4_655 4_655 ?
O2 C2 C5 89.6(2) 4_655 4_655 4_655 ?
O2 C2 C6 51.4(4) 4_655 4_655 4_655 ?
O2 C2 H1 144.7 4_655 4_655 4_655 no
O2 C2 H1 60.0 4_655 4_655 4_655 no
O2 C2 H1 60.0 4_655 4_655 4_655 no
O2 C2 H2 46.3 4_655 4_655 4_655 no
O2 C2 H2 109.1 4_655 4_655 4_655 no
O2 C2 H2 109.1 4_655 4_655 4_655 no
O2 C2 H3 75.3 4_655 4_655 4_655 no
O2 C2 H5 25.6 4_655 4_655 4_655 no
O2 C2 H6 70.9 4_655 4_655 4_655 no
O2 C2 H6 70.9 4_655 4_655 4_655 no
O3 C2 O3 166.6(3) . . . ?
O3 C2 O3 95.9(2) . . . ?
O3 C2 O4 96.7(2) . . . ?
O3 C2 N1 86.3(2) . . . ?
O3 C2 N2 93.0(2) . . . ?
O3 C2 N3 21.12(11) . . . ?
O3 C2 N3 150.1(3) . . . ?
O3 C2 C1 89.7(2) . . . ?
O3 C2 C3 83.3(2) . . . ?
O3 C2 C4 84.0(2) . . . ?
O3 C2 C5 83.5(2) . . . ?
O3 C2 C6 93.9(2) . . . ?
O3 C2 H1 95.3 . . . no
O3 C2 H1 29.7 . . . no
O3 C2 H1 141.3 . . . no
O3 C2 H2 84.0 . . . no
O3 C2 H2 40.9 . . . no
O3 C2 H2 151.8 . . . no
O3 C2 H3 83.3 . . . no
O3 C2 H5 91.1 . . . no
O3 C2 H6 76.2 . . . no
O3 C2 H6 114.6 . . . no
O3 C2 O3 95.9(2) 1_565 1_565 1_565 ?
O3 C2 O4 96.7(2) 1_565 1_565 1_565 ?
O3 C2 N1 86.3(2) 1_565 1_565 1_565 ?
O3 C2 N2 93.0(2) 1_565 1_565 1_565 ?
O3 C2 N3 150.1(3) 1_565 1_565 1_565 ?
O3 C2 N3 21.11(11) 1_565 1_565 1_565 ?
O3 C2 C1 89.7(2) 1_565 1_565 1_565 ?
O3 C2 C3 83.3(2) 1_565 1_565 1_565 ?
O3 C2 C4 84.0(2) 1_565 1_565 1_565 ?
O3 C2 C5 83.5(2) 1_565 1_565 1_565 ?
O3 C2 C6 93.9(2) 1_565 1_565 1_565 ?
O3 C2 H1 95.3 1_565 1_565 1_565 no
O3 C2 H1 141.3 1_565 1_565 1_565 no
O3 C2 H1 29.7 1_565 1_565 1_565 no
O3 C2 H2 84.0 1_565 1_565 1_565 no
O3 C2 H2 151.8 1_565 1_565 1_565 no
O3 C2 H2 40.9 1_565 1_565 1_565 no
O3 C2 H3 83.3 1_565 1_565 1_565 no
O3 C2 H5 91.1 1_565 1_565 1_565 no
O3 C2 H6 114.6 1_565 1_565 1_565 no
O3 C2 H6 76.2 1_565 1_565 1_565 no
O3 C2 O4 32.36(12) 4_654 4_654 4_654 ?
O3 C2 N1 94.6(2) 4_654 4_654 4_654 ?
O3 C2 N2 35.1(3) 4_654 4_654 4_654 ?
O3 C2 N3 95.5(2) 4_654 4_654 4_654 ?
O3 C2 N3 95.5(2) 4_654 4_654 4_654 ?
O3 C2 C1 63.9(3) 4_654 4_654 4_654 ?
O3 C2 C3 154.4(5) 4_654 4_654 4_654 ?
O3 C2 C4 124.5(3) 4_654 4_654 4_654 ?
O3 C2 C5 135.5(2) 4_654 4_654 4_654 ?
O3 C2 C6 83.4(5) 4_654 4_654 4_654 ?
O3 C2 H1 9.9 4_654 4_654 4_654 no
O3 C2 H1 121.9 4_654 4_654 4_654 no
O3 C2 H1 121.9 4_654 4_654 4_654 no
O3 C2 H2 178.9 4_654 4_654 4_654 no
O3 C2 H2 56.0 4_654 4_654 4_654 no
O3 C2 H2 56.0 4_654 4_654 4_654 no
O3 C2 H3 149.9 4_654 4_654 4_654 no
O3 C2 H5 109.2 4_654 4_654 4_654 no
O3 C2 H6 66.6 4_654 4_654 4_654 no
O3 C2 H6 66.6 4_654 4_654 4_654 no
O4 C2 N1 126.9(3) 4_654 4_654 4_654 ?
O4 C2 N2 67.5(4) 4_654 4_654 4_654 ?
O4 C2 N3 107.5(2) 4_654 4_654 4_654 ?
O4 C2 N3 107.5(2) 4_654 4_654 4_654 ?
O4 C2 C1 96.2(3) 4_654 4_654 4_654 ?
O4 C2 C3 173.2(5) 4_654 4_654 4_654 ?
O4 C2 C4 156.9(3) 4_654 4_654 4_654 ?
O4 C2 C5 167.9(3) 4_654 4_654 4_654 ?
O4 C2 C6 51.0(4) 4_654 4_654 4_654 ?
O4 C2 H1 42.2 4_654 4_654 4_654 no
O4 C2 H1 110.4 4_654 4_654 4_654 no
O4 C2 H1 110.4 4_654 4_654 4_654 no
O4 C2 H2 148.8 4_654 4_654 4_654 no
O4 C2 H2 58.5 4_654 4_654 4_654 no
O4 C2 H2 58.5 4_654 4_654 4_654 no
O4 C2 H3 177.8 4_654 4_654 4_654 no
O4 C2 H5 76.9 4_654 4_654 4_654 no
O4 C2 H6 37.4 4_654 4_654 4_654 no
O4 C2 H6 37.4 4_654 4_654 4_654 no
N1 C2 N2 59.5(3) . . . ?
N1 C2 N3 65.28(13) . . . ?
N1 C2 N3 65.26(13) . . . ?
N1 C2 C1 30.7(2) . . . ?
N1 C2 C3 59.8(4) . . . ?
N1 C2 C4 30.0(2) . . . ?
N1 C2 C5 41.0(2) . . . ?
N1 C2 C6 178.0(6) . . . ?
N1 C2 H1 84.7 . . . no
N1 C2 H1 98.0 . . . no
N1 C2 H1 97.9 . . . no
N1 C2 H2 84.3 . . . no
N1 C2 H2 97.9 . . . no
N1 C2 H2 97.9 . . . no
N1 C2 H3 55.3 . . . no
N1 C2 H5 156.2 . . . no
N1 C2 H6 152.3 . . . no
N1 C2 H6 152.3 . . . no
N2 C2 N3 80.9(2) . . . ?
N2 C2 N3 80.8(2) . . . ?
N2 C2 C1 28.8(3) . . . ?
N2 C2 C3 119.3(6) . . . ?
N2 C2 C4 89.4(4) . . . ?
N2 C2 C5 100.4(4) . . . ?
N2 C2 C6 118.5(7) . . . ?
N2 C2 H1 25.2 . . . no
N2 C2 H1 122.4 . . . no
N2 C2 H1 122.4 . . . no
N2 C2 H2 143.8 . . . no
N2 C2 H2 66.2 . . . no
N2 C2 H2 66.2 . . . no
N2 C2 H3 114.8 . . . no
N2 C2 H5 144.3 . . . no
N2 C2 H6 99.7 . . . no
N2 C2 H6 99.7 . . . no
N3 C2 N3 130.0(3) . . . ?
N3 C2 C1 70.9(2) . . . ?
N3 C2 C3 74.7(2) . . . ?
N3 C2 C4 66.8(1) . . . ?
N3 C2 C5 69.1(2) . . . ?
N3 C2 C6 114.84(13) . . . ?
N3 C2 H1 91.3 . . . no
N3 C2 H1 43.3 . . . no
N3 C2 H1 140.9 . . . no
N3 C2 H2 84.1 . . . no
N3 C2 H2 49.1 . . . no
N3 C2 H2 147.0 . . . no
N3 C2 H3 73.2 . . . no
N3 C2 H5 111.0 . . . no
N3 C2 H6 95.3 . . . no
N3 C2 H6 133.6 . . . no
N3 C2 C1 70.8(2) 1_565 1_565 1_565 ?
N3 C2 C3 74.7(2) 1_565 1_565 1_565 ?
N3 C2 C4 66.8(1) 1_565 1_565 1_565 ?
N3 C2 C5 69.1(2) 1_565 1_565 1_565 ?
N3 C2 C6 114.87(13) 1_565 1_565 1_565 ?
N3 C2 H1 91.3 1_565 1_565 1_565 no
N3 C2 H1 140.9 1_565 1_565 1_565 no
N3 C2 H1 43.3 1_565 1_565 1_565 no
N3 C2 H2 84.1 1_565 1_565 1_565 no
N3 C2 H2 147.0 1_565 1_565 1_565 no
N3 C2 H2 49.1 1_565 1_565 1_565 no
N3 C2 H3 73.2 1_565 1_565 1_565 no
N3 C2 H5 111.0 1_565 1_565 1_565 no
N3 C2 H6 133.6 1_565 1_565 1_565 no
N3 C2 H6 95.3 1_565 1_565 1_565 no
C1 C2 C3 90.5(5) . . . ?
C1 C2 C4 60.6(3) . . . ?
C1 C2 C5 71.6(3) . . . ?
C1 C2 C6 147.3(6) . . . ?
C1 C2 H1 54.0 . . . no
C1 C2 H1 113.3 . . . no
C1 C2 H1 113.2 . . . no
C1 C2 H2 115.0 . . . no
C1 C2 H2 80.7 . . . no
C1 C2 H2 80.7 . . . no
C1 C2 H3 86.0 . . . no
C1 C2 H5 173.1 . . . no
C1 C2 H6 126.5 . . . no
C1 C2 H6 126.5 . . . no
C3 C2 C4 29.9(4) . . . ?
C3 C2 C5 18.9(4) . . . ?
C3 C2 C6 122.2(7) . . . ?
C3 C2 H1 144.5 . . . no
C3 C2 H1 66.6 . . . no
C3 C2 H1 66.6 . . . no
C3 C2 H2 24.5 . . . no
C3 C2 H2 123.0 . . . no
C3 C2 H2 123.0 . . . no
C3 C2 H3 4.5 . . . no
C3 C2 H5 96.4 . . . no
C3 C2 H6 136.7 . . . no
C3 C2 H6 136.7 . . . no
C4 C2 C5 11.0(2) . . . ?
C4 C2 C6 152.1(6) . . . ?
C4 C2 H1 114.7 . . . no
C4 C2 H1 81.4 . . . no
C4 C2 H1 81.4 . . . no
C4 C2 H2 54.4 . . . no
C4 C2 H2 113.2 . . . no
C4 C2 H2 113.2 . . . no
C4 C2 H3 25.3 . . . no
C4 C2 H5 126.3 . . . no
C4 C2 H6 158.6 . . . no
C4 C2 H6 158.6 . . . no
C5 C2 C6 141.1(5) . . . ?
C5 C2 H1 125.7 . . . no
C5 C2 H1 75.5 . . . no
C5 C2 H1 75.5 . . . no
C5 C2 H2 43.4 . . . no
C5 C2 H2 117.7 . . . no
C5 C2 H2 117.6 . . . no
C5 C2 H3 14.3 . . . no
C5 C2 H5 115.3 . . . no
C5 C2 H6 152.1 . . . no
C5 C2 H6 152.1 . . . no
C6 C2 H1 93.3 . . . no
C6 C2 H1 83.2 . . . no
C6 C2 H1 83.2 . . . no
C6 C2 H2 97.7 . . . no
C6 C2 H2 81.0 . . . no
C6 C2 H2 81.0 . . . no
C6 C2 H3 126.7 . . . no
C6 C2 H5 25.8 . . . no
C6 C2 H6 26.3 . . . no
C6 C2 H6 26.3 . . . no
H1 C2 H1 123.4 . . . no
H1 C2 H1 123.4 . . . no
H1 C2 H2 169.0 . . . no
H1 C2 H2 57.7 . . . no
H1 C2 H2 57.7 . . . no
H1 C2 H3 140.0 . . . no
H1 C2 H5 119.1 . . . no
H1 C2 H6 75.9 . . . no
H1 C2 H6 75.8 . . . no
H1 C2 H1 112.2 4_655 4_655 4_655 no
H1 C2 H2 58.4 4_655 4_655 4_655 no
H1 C2 H2 66.0 4_655 4_655 4_655 no
H1 C2 H2 164.1 4_655 4_655 4_655 no
H1 C2 H3 68.6 4_655 4_655 4_655 no
H1 C2 H5 69.8 4_655 4_655 4_655 no
H1 C2 H6 77.4 4_655 4_655 4_655 no
H1 C2 H6 109.1 4_655 4_655 4_655 no
H1 C2 H2 58.4 4_665 4_665 4_665 no
H1 C2 H2 164.1 4_665 4_665 4_665 no
H1 C2 H2 66.1 4_665 4_665 4_665 no
H1 C2 H3 68.5 4_665 4_665 4_665 no
H1 C2 H5 69.9 4_665 4_665 4_665 no
H1 C2 H6 109.2 4_665 4_665 4_665 no
H1 C2 H6 77.4 4_665 4_665 4_665 no
H2 C2 H2 124.1 . . . no
H2 C2 H2 124.1 . . . no
H2 C2 H3 29.0 . . . no
H2 C2 H5 71.9 . . . no
H2 C2 H6 114.4 . . . no
H2 C2 H6 114.4 . . . no
H2 C2 H2 111.0 4_654 4_654 4_654 no
H2 C2 H3 122.0 4_654 4_654 4_654 no
H2 C2 H5 95.5 4_654 4_654 4_654 no
H2 C2 H6 55.0 4_654 4_654 4_654 no
H2 C2 H6 88.2 4_654 4_654 4_654 no
H2 C2 H3 122.0 4_664 4_664 4_664 no
H2 C2 H5 95.5 4_664 4_664 4_664 no
H2 C2 H6 88.3 4_664 4_664 4_664 no
H2 C2 H6 55.0 4_664 4_664 4_664 no
H3 C2 H5 100.9 . . . no
H3 C2 H6 140.7 . . . no
H3 C2 H6 140.7 . . . no
H5 C2 H6 47.3 . . . no
H5 C2 H6 47.3 . . . no
H6 C2 H6 38.4 . . . no
O1 C3 O2 52.64(10) . . . ?
O1 C3 O2 52.63(10) . . . ?
O1 C3 O2 148.0(2) . . . ?
O1 C3 O3 81.2(2) . . . ?
O1 C3 O3 81.1(2) . . . ?
O1 C3 O3 176.7(2) . . . ?
O1 C3 O4 78.9(1) . . . ?
O1 C3 O4 78.9(1) . . . ?
O1 C3 N1 30.4(2) . . . ?
O1 C3 N2 29.8(2) . . . ?
O1 C3 N2 125.15(11) . . . ?
O1 C3 N2 125.14(11) . . . ?
O1 C3 N3 69.1(2) . . . ?
O1 C3 N3 69.1(2) . . . ?
O1 C3 N3 165.4(2) . . . ?
O1 C3 C1 0.4(2) . . . ?
O1 C3 C2 59.8(4) . . . ?
O1 C3 C4 60.9(5) . . . ?
O1 C3 C5 91.2(3) . . . ?
O1 C3 C6 90.2(3) . . . ?
O1 C3 C7 40.7(2) . . . ?
O1 C3 H1 38.8 . . . no
O1 C3 H1 113.1 . . . no
O1 C3 H1 113.1 . . . no
O1 C3 H2 179.3 . . . no
O1 C3 H3 113.2 . . . no
O1 C3 H4 86.5 . . . no
O1 C3 H4 86.5 . . . no
O1 C3 H5 111.5 . . . no
O1 C3 H6 83.2 . . . no
O1 C3 H6 83.2 . . . no
O1 C3 H6 121.3 . . . no
O1 C3 H6 121.3 . . . no
O2 C3 O2 105.2(2) . . . ?
O2 C3 O2 121.99(11) . . . ?
O2 C3 O3 32.33(10) . . . ?
O2 C3 O3 132.3(2) . . . ?
O2 C3 O3 127.17(10) . . . ?
O2 C3 O4 32.00(11) . . . ?
O2 C3 O4 126.3(2) . . . ?
O2 C3 N1 57.47(12) . . . ?
O2 C3 N2 59.15(13) . . . ?
O2 C3 N2 73.98(9) . . . ?
O2 C3 N2 170.3(2) . . . ?
O2 C3 N3 16.50(10) . . . ?
O2 C3 N3 121.4(2) . . . ?
O2 C3 N3 126.46(10) . . . ?
O2 C3 C1 52.63(10) . . . ?
O2 C3 C2 73.7(3) . . . ?
O2 C3 C4 71.4(3) . . . ?
O2 C3 C5 89.1(2) . . . ?
O2 C3 C6 91.7(2) . . . ?
O2 C3 C7 61.42(13) . . . ?
O2 C3 H1 62.9 . . . no
O2 C3 H1 61.6 . . . no
O2 C3 H1 163.8 . . . no
O2 C3 H2 127.4 . . . no
O2 C3 H3 102.3 . . . no
O2 C3 H4 74.8 . . . no
O2 C3 H4 97.7 . . . no
O2 C3 H5 104.4 . . . no
O2 C3 H6 77.7 . . . no
O2 C3 H6 97.1 . . . no
O2 C3 H6 74.9 . . . no
O2 C3 H6 149.8 . . . no
O2 C3 O2 122.01(11) 1_565 1_565 1_565 ?
O2 C3 O3 132.3(2) 1_565 1_565 1_565 ?
O2 C3 O3 32.33(10) 1_565 1_565 1_565 ?
O2 C3 O3 127.18(10) 1_565 1_565 1_565 ?
O2 C3 O4 126.3(2) 1_565 1_565 1_565 ?
O2 C3 O4 31.99(11) 1_565 1_565 1_565 ?
O2 C3 N1 57.45(12) 1_565 1_565 1_565 ?
O2 C3 N2 59.16(13) 1_565 1_565 1_565 ?
O2 C3 N2 170.3(2) 1_565 1_565 1_565 ?
O2 C3 N2 73.98(9) 1_565 1_565 1_565 ?
O2 C3 N3 121.4(2) 1_565 1_565 1_565 ?
O2 C3 N3 16.49(10) 1_565 1_565 1_565 ?
O2 C3 N3 126.48(10) 1_565 1_565 1_565 ?
O2 C3 C1 52.62(10) 1_565 1_565 1_565 ?
O2 C3 C2 73.7(3) 1_565 1_565 1_565 ?
O2 C3 C4 71.3(3) 1_565 1_565 1_565 ?
O2 C3 C5 89.1(2) 1_565 1_565 1_565 ?
O2 C3 C6 91.8(2) 1_565 1_565 1_565 ?
O2 C3 C7 61.40(13) 1_565 1_565 1_565 ?
O2 C3 H1 62.9 1_565 1_565 1_565 no
O2 C3 H1 163.8 1_565 1_565 1_565 no
O2 C3 H1 61.6 1_565 1_565 1_565 no
O2 C3 H2 127.4 1_565 1_565 1_565 no
O2 C3 H3 102.3 1_565 1_565 1_565 no
O2 C3 H4 97.7 1_565 1_565 1_565 no
O2 C3 H4 74.8 1_565 1_565 1_565 no
O2 C3 H5 104.4 1_565 1_565 1_565 no
O2 C3 H6 97.1 1_565 1_565 1_565 no
O2 C3 H6 77.8 1_565 1_565 1_565 no
O2 C3 H6 149.8 1_565 1_565 1_565 no
O2 C3 H6 74.9 1_565 1_565 1_565 no
O2 C3 O3 89.8(1) 4_655 4_655 4_655 ?
O2 C3 O3 89.8(1) 4_655 4_655 4_655 ?
O2 C3 O3 35.23(13) 4_655 4_655 4_655 ?
O2 C3 O4 111.24(13) 4_655 4_655 4_655 ?
O2 C3 O4 111.26(13) 4_655 4_655 4_655 ?
O2 C3 N1 178.4(3) 4_655 4_655 4_655 ?
O2 C3 N2 118.3(3) 4_655 4_655 4_655 ?
O2 C3 N2 53.74(9) 4_655 4_655 4_655 ?
O2 C3 N2 53.76(9) 4_655 4_655 4_655 ?
O2 C3 N3 109.6(1) 4_655 4_655 4_655 ?
O2 C3 N3 109.6(1) 4_655 4_655 4_655 ?
O2 C3 N3 17.33(11) 4_655 4_655 4_655 ?
O2 C3 C1 148.5(3) 4_655 4_655 4_655 ?
O2 C3 C2 88.2(4) 4_655 4_655 4_655 ?
O2 C3 C4 151.1(6) 4_655 4_655 4_655 ?
O2 C3 C5 120.8(3) 4_655 4_655 4_655 ?
O2 C3 C6 57.8(2) 4_655 4_655 4_655 ?
O2 C3 C7 171.2(3) 4_655 4_655 4_655 ?
O2 C3 H1 109.3 4_655 4_655 4_655 no
O2 C3 H1 64.9 4_655 4_655 4_655 no
O2 C3 H1 64.9 4_655 4_655 4_655 no
O2 C3 H2 31.2 4_655 4_655 4_655 no
O2 C3 H3 98.7 4_655 4_655 4_655 no
O2 C3 H4 124.3 4_655 4_655 4_655 no
O2 C3 H4 124.3 4_655 4_655 4_655 no
O2 C3 H5 36.5 4_655 4_655 4_655 no
O2 C3 H6 65.6 4_655 4_655 4_655 no
O2 C3 H6 65.6 4_655 4_655 4_655 no
O2 C3 H6 79.2 4_655 4_655 4_655 no
O2 C3 H6 79.2 4_655 4_655 4_655 no
O3 C3 O3 145.6(3) . . . ?
O3 C3 O3 99.7(1) . . . ?
O3 C3 O4 36.76(11) . . . ?
O3 C3 O4 158.6(2) . . . ?
O3 C3 N1 89.7(2) . . . ?
O3 C3 N2 75.0(2) . . . ?
O3 C3 N2 44.00(12) . . . ?
O3 C3 N2 143.0(2) . . . ?
O3 C3 N3 21.61(11) . . . ?
O3 C3 N3 148.3(3) . . . ?
O3 C3 N3 94.9(1) . . . ?
O3 C3 C1 81.3(2) . . . ?
O3 C3 C2 72.8(2) . . . ?
O3 C3 C4 98.4(2) . . . ?
O3 C3 C5 104.8(1) . . . ?
O3 C3 C6 75.4(2) . . . ?
O3 C3 C7 92.8(2) . . . ?
O3 C3 H1 73.9 . . . no
O3 C3 H1 32.1 . . . no
O3 C3 H1 151.6 . . . no
O3 C3 H2 98.7 . . . no
O3 C3 H3 107.0 . . . no
O3 C3 H4 89.9 . . . no
O3 C3 H4 118.2 . . . no
O3 C3 H5 79.7 . . . no
O3 C3 H6 62.3 . . . no
O3 C3 H6 86.5 . . . no
O3 C3 H6 61.6 . . . no
O3 C3 H6 151.3 . . . no
O3 C3 O3 99.7(1) 1_565 1_565 1_565 ?
O3 C3 O4 158.6(2) 1_565 1_565 1_565 ?
O3 C3 O4 36.75(11) 1_565 1_565 1_565 ?
O3 C3 N1 89.7(2) 1_565 1_565 1_565 ?
O3 C3 N2 75.0(2) 1_565 1_565 1_565 ?
O3 C3 N2 143.0(2) 1_565 1_565 1_565 ?
O3 C3 N2 44.01(12) 1_565 1_565 1_565 ?
O3 C3 N3 148.3(3) 1_565 1_565 1_565 ?
O3 C3 N3 21.61(11) 1_565 1_565 1_565 ?
O3 C3 N3 94.9(1) 1_565 1_565 1_565 ?
O3 C3 C1 81.3(2) 1_565 1_565 1_565 ?
O3 C3 C2 72.8(2) 1_565 1_565 1_565 ?
O3 C3 C4 98.4(2) 1_565 1_565 1_565 ?
O3 C3 C5 104.8(1) 1_565 1_565 1_565 ?
O3 C3 C6 75.4(2) 1_565 1_565 1_565 ?
O3 C3 C7 92.7(2) 1_565 1_565 1_565 ?
O3 C3 H1 73.9 1_565 1_565 1_565 no
O3 C3 H1 151.6 1_565 1_565 1_565 no
O3 C3 H1 32.1 1_565 1_565 1_565 no
O3 C3 H2 98.7 1_565 1_565 1_565 no
O3 C3 H3 107.0 1_565 1_565 1_565 no
O3 C3 H4 118.2 1_565 1_565 1_565 no
O3 C3 H4 89.8 1_565 1_565 1_565 no
O3 C3 H5 79.7 1_565 1_565 1_565 no
O3 C3 H6 86.5 1_565 1_565 1_565 no
O3 C3 H6 62.3 1_565 1_565 1_565 no
O3 C3 H6 151.3 1_565 1_565 1_565 no
O3 C3 H6 61.6 1_565 1_565 1_565 no
O3 C3 O4 99.9(2) 4_655 4_655 4_655 ?
O3 C3 O4 99.9(2) 4_655 4_655 4_655 ?
O3 C3 N1 146.3(3) 4_655 4_655 4_655 ?
O3 C3 N2 153.5(3) 4_655 4_655 4_655 ?
O3 C3 N2 55.69(10) 4_655 4_655 4_655 ?
O3 C3 N2 55.70(10) 4_655 4_655 4_655 ?
O3 C3 N3 110.7(2) 4_655 4_655 4_655 ?
O3 C3 N3 110.7(2) 4_655 4_655 4_655 ?
O3 C3 N3 17.90(11) 4_655 4_655 4_655 ?
O3 C3 C1 176.3(3) 4_655 4_655 4_655 ?
O3 C3 C2 123.5(5) 4_655 4_655 4_655 ?
O3 C3 C4 115.8(6) 4_655 4_655 4_655 ?
O3 C3 C5 85.6(3) 4_655 4_655 4_655 ?
O3 C3 C6 93.1(3) 4_655 4_655 4_655 ?
O3 C3 C7 136.0(3) 4_655 4_655 4_655 ?
O3 C3 H1 144.5 4_655 4_655 4_655 no
O3 C3 H1 67.6 4_655 4_655 4_655 no
O3 C3 H1 67.6 4_655 4_655 4_655 no
O3 C3 H2 4.0 4_655 4_655 4_655 no
O3 C3 H3 63.5 4_655 4_655 4_655 no
O3 C3 H4 90.3 4_655 4_655 4_655 no
O3 C3 H4 90.3 4_655 4_655 4_655 no
O3 C3 H5 71.8 4_655 4_655 4_655 no
O3 C3 H6 100.0 4_655 4_655 4_655 no
O3 C3 H6 100.0 4_655 4_655 4_655 no
O3 C3 H6 56.9 4_655 4_655 4_655 no
O3 C3 H6 56.9 4_655 4_655 4_655 no
O4 C3 O4 130.1(2) . . . ?
O4 C3 N1 69.13(13) . . . ?
O4 C3 N2 91.1(2) . . . ?
O4 C3 N2 57.59(10) . . . ?
O4 C3 N2 154.7(2) . . . ?
O4 C3 N3 20.43(11) . . . ?
O4 C3 N3 138.8(2) . . . ?
O4 C3 N3 106.4(1) . . . ?
O4 C3 C1 78.7(2) . . . ?
O4 C3 C2 103.1(2) . . . ?
O4 C3 C4 65.08(12) . . . ?
O4 C3 C5 68.2(1) . . . ?
O4 C3 C6 112.1(2) . . . ?
O4 C3 C7 66.99(12) . . . ?
O4 C3 H1 94.8 . . . no
O4 C3 H1 47.3 . . . no
O4 C3 H1 163.7 . . . no
O4 C3 H2 101.4 . . . no
O4 C3 H3 74.4 . . . no
O4 C3 H4 53.2 . . . no
O4 C3 H4 81.5 . . . no
O4 C3 H5 114.8 . . . no
O4 C3 H6 98.6 . . . no
O4 C3 H6 122.2 . . . no
O4 C3 H6 43.9 . . . no
O4 C3 H6 124.3 . . . no
O4 C3 N1 69.11(13) 1_565 1_565 1_565 ?
O4 C3 N2 91.1(2) 1_565 1_565 1_565 ?
O4 C3 N2 154.7(2) 1_565 1_565 1_565 ?
O4 C3 N2 57.59(10) 1_565 1_565 1_565 ?
O4 C3 N3 138.8(2) 1_565 1_565 1_565 ?
O4 C3 N3 20.43(11) 1_565 1_565 1_565 ?
O4 C3 N3 106.4(1) 1_565 1_565 1_565 ?
O4 C3 C1 78.7(2) 1_565 1_565 1_565 ?
O4 C3 C2 103.1(2) 1_565 1_565 1_565 ?
O4 C3 C4 65.05(12) 1_565 1_565 1_565 ?
O4 C3 C5 68.2(1) 1_565 1_565 1_565 ?
O4 C3 C6 112.1(2) 1_565 1_565 1_565 ?
O4 C3 C7 66.97(12) 1_565 1_565 1_565 ?
O4 C3 H1 94.8 1_565 1_565 1_565 no
O4 C3 H1 163.7 1_565 1_565 1_565 no
O4 C3 H1 47.3 1_565 1_565 1_565 no
O4 C3 H2 101.4 1_565 1_565 1_565 no
O4 C3 H3 74.4 1_565 1_565 1_565 no
O4 C3 H4 81.4 1_565 1_565 1_565 no
O4 C3 H4 53.1 1_565 1_565 1_565 no
O4 C3 H5 114.8 1_565 1_565 1_565 no
O4 C3 H6 122.2 1_565 1_565 1_565 no
O4 C3 H6 98.6 1_565 1_565 1_565 no
O4 C3 H6 124.3 1_565 1_565 1_565 no
O4 C3 H6 43.9 1_565 1_565 1_565 no
N1 C3 N2 60.1(3) . . . ?
N1 C3 N2 126.51(10) . . . ?
N1 C3 N2 126.50(10) . . . ?
N1 C3 N3 70.2(2) . . . ?
N1 C3 N3 70.1(2) . . . ?
N1 C3 N3 164.2(3) . . . ?
N1 C3 C1 29.9(2) . . . ?
N1 C3 C2 90.2(5) . . . ?
N1 C3 C4 30.5(4) . . . ?
N1 C3 C5 60.8(3) . . . ?
N1 C3 C6 120.6(4) . . . ?
N1 C3 C7 10.3(2) . . . ?
N1 C3 H1 69.2 . . . no
N1 C3 H1 115.2 . . . no
N1 C3 H1 115.2 . . . no
N1 C3 H2 150.4 . . . no
N1 C3 H3 82.8 . . . no
N1 C3 H4 57.2 . . . no
N1 C3 H4 57.2 . . . no
N1 C3 H5 141.9 . . . no
N1 C3 H6 112.9 . . . no
N1 C3 H6 112.9 . . . no
N1 C3 H6 101.9 . . . no
N1 C3 H6 101.9 . . . no
N2 C3 N2 113.8(2) . . . ?
N2 C3 N2 113.8(2) . . . ?
N2 C3 N3 73.8(2) . . . ?
N2 C3 N3 73.8(2) . . . ?
N2 C3 N3 135.6(3) . . . ?
N2 C3 C1 30.2(2) . . . ?
N2 C3 C2 30.0(3) . . . ?
N2 C3 C4 90.7(5) . . . ?
N2 C3 C5 120.9(4) . . . ?
N2 C3 C6 60.4(3) . . . ?
N2 C3 C7 70.5(3) . . . ?
N2 C3 H1 9.0 . . . no
N2 C3 H1 104.7 . . . no
N2 C3 H1 104.7 . . . no
N2 C3 H2 149.5 . . . no
N2 C3 H3 143.0 . . . no
N2 C3 H4 115.3 . . . no
N2 C3 H4 115.3 . . . no
N2 C3 H5 81.8 . . . no
N2 C3 H6 54.3 . . . no
N2 C3 H6 54.3 . . . no
N2 C3 H6 133.5 . . . no
N2 C3 H6 133.5 . . . no
N2 C3 N2 105.2(2) 4_655 4_655 4_655 ?
N2 C3 N3 58.49(12) 4_655 4_655 4_655 ?
N2 C3 N3 163.3(2) 4_655 4_655 4_655 ?
N2 C3 N3 52.69(9) 4_655 4_655 4_655 ?
N2 C3 C1 125.25(12) 4_655 4_655 4_655 ?
N2 C3 C2 97.0(3) 4_655 4_655 4_655 ?
N2 C3 C4 116.7(3) 4_655 4_655 4_655 ?
N2 C3 C5 100.5(2) 4_655 4_655 4_655 ?
N2 C3 C6 78.7(2) 4_655 4_655 4_655 ?
N2 C3 C7 124.28(11) 4_655 4_655 4_655 ?
N2 C3 H1 109.1 4_655 4_655 4_655 no
N2 C3 H1 12.3 4_655 4_655 4_655 no
N2 C3 H1 117.3 4_655 4_655 4_655 no
N2 C3 H2 54.7 4_655 4_655 4_655 no
N2 C3 H3 87.2 4_655 4_655 4_655 no
N2 C3 H4 91.5 4_655 4_655 4_655 no
N2 C3 H4 114.9 4_655 4_655 4_655 no
N2 C3 H5 66.9 4_655 4_655 4_655 no
N2 C3 H6 73.2 4_655 4_655 4_655 no
N2 C3 H6 92.7 4_655 4_655 4_655 no
N2 C3 H6 39.8 4_655 4_655 4_655 no
N2 C3 H6 110.9 4_655 4_655 4_655 no
N2 C3 N3 163.3(2) 4_665 4_665 4_665 ?
N2 C3 N3 58.50(12) 4_665 4_665 4_665 ?
N2 C3 N3 52.70(9) 4_665 4_665 4_665 ?
N2 C3 C1 125.25(12) 4_665 4_665 4_665 ?
N2 C3 C2 97.0(3) 4_665 4_665 4_665 ?
N2 C3 C4 116.7(3) 4_665 4_665 4_665 ?
N2 C3 C5 100.5(2) 4_665 4_665 4_665 ?
N2 C3 C6 78.7(2) 4_665 4_665 4_665 ?
N2 C3 C7 124.26(11) 4_665 4_665 4_665 ?
N2 C3 H1 109.1 4_665 4_665 4_665 no
N2 C3 H1 117.3 4_665 4_665 4_665 no
N2 C3 H1 12.3 4_665 4_665 4_665 no
N2 C3 H2 54.7 4_665 4_665 4_665 no
N2 C3 H3 87.2 4_665 4_665 4_665 no
N2 C3 H4 114.8 4_665 4_665 4_665 no
N2 C3 H4 91.4 4_665 4_665 4_665 no
N2 C3 H5 66.9 4_665 4_665 4_665 no
N2 C3 H6 92.7 4_665 4_665 4_665 no
N2 C3 H6 73.2 4_665 4_665 4_665 no
N2 C3 H6 110.9 4_665 4_665 4_665 no
N2 C3 H6 39.8 4_665 4_665 4_665 no
N3 C3 N3 137.5(3) . . . ?
N3 C3 N3 111.2(1) . . . ?
N3 C3 C1 69.0(2) . . . ?
N3 C3 C2 82.7(2) . . . ?
N3 C3 C4 76.9(2) . . . ?
N3 C3 C5 86.9(2) . . . ?
N3 C3 C6 93.6(2) . . . ?
N3 C3 C7 71.9(2) . . . ?
N3 C3 H1 76.1 . . . no
N3 C3 H1 46.3 . . . no
N3 C3 H1 173.1 . . . no
N3 C3 H2 111.0 . . . no
N3 C3 H3 94.8 . . . no
N3 C3 H4 71.8 . . . no
N3 C3 H4 98.7 . . . no
N3 C3 H5 100.8 . . . no
N3 C3 H6 79.6 . . . no
N3 C3 H6 102.4 . . . no
N3 C3 H6 59.8 . . . no
N3 C3 H6 144.7 . . . no
N3 C3 N3 111.2(1) 1_565 1_565 1_565 ?
N3 C3 C1 69.0(2) 1_565 1_565 1_565 ?
N3 C3 C2 82.7(2) 1_565 1_565 1_565 ?
N3 C3 C4 76.8(2) 1_565 1_565 1_565 ?
N3 C3 C5 86.9(2) 1_565 1_565 1_565 ?
N3 C3 C6 93.6(2) 1_565 1_565 1_565 ?
N3 C3 C7 71.9(2) 1_565 1_565 1_565 ?
N3 C3 H1 76.1 1_565 1_565 1_565 no
N3 C3 H1 173.1 1_565 1_565 1_565 no
N3 C3 H1 46.3 1_565 1_565 1_565 no
N3 C3 H2 111.0 1_565 1_565 1_565 no
N3 C3 H3 94.8 1_565 1_565 1_565 no
N3 C3 H4 98.6 1_565 1_565 1_565 no
N3 C3 H4 71.8 1_565 1_565 1_565 no
N3 C3 H5 100.9 1_565 1_565 1_565 no
N3 C3 H6 102.4 1_565 1_565 1_565 no
N3 C3 H6 79.7 1_565 1_565 1_565 no
N3 C3 H6 144.7 1_565 1_565 1_565 no
N3 C3 H6 59.8 1_565 1_565 1_565 no
N3 C3 C1 165.8(3) 4_655 4_655 4_655 ?
N3 C3 C2 105.6(4) 4_655 4_655 4_655 ?
N3 C3 C4 133.7(6) 4_655 4_655 4_655 ?
N3 C3 C5 103.5(3) 4_655 4_655 4_655 ?
N3 C3 C6 75.2(2) 4_655 4_655 4_655 ?
N3 C3 C7 153.9(3) 4_655 4_655 4_655 ?
N3 C3 H1 126.6 4_655 4_655 4_655 no
N3 C3 H1 65.0 4_655 4_655 4_655 no
N3 C3 H1 65.0 4_655 4_655 4_655 no
N3 C3 H2 13.9 4_655 4_655 4_655 no
N3 C3 H3 81.4 4_655 4_655 4_655 no
N3 C3 H4 107.6 4_655 4_655 4_655 no
N3 C3 H4 107.6 4_655 4_655 4_655 no
N3 C3 H5 53.8 4_655 4_655 4_655 no
N3 C3 H6 82.5 4_655 4_655 4_655 no
N3 C3 H6 82.5 4_655 4_655 4_655 no
N3 C3 H6 67.5 4_655 4_655 4_655 no
N3 C3 H6 67.5 4_655 4_655 4_655 no
C1 C3 C2 60.3(4) . . . ?
C1 C3 C4 60.5(5) . . . ?
C1 C3 C5 90.7(3) . . . ?
C1 C3 C6 90.6(3) . . . ?
C1 C3 C7 40.3(2) . . . ?
C1 C3 H1 39.2 . . . no
C1 C3 H1 113.2 . . . no
C1 C3 H1 113.1 . . . no
C1 C3 H2 179.7 . . . no
C1 C3 H3 112.8 . . . no
C1 C3 H4 86.1 . . . no
C1 C3 H4 86.1 . . . no
C1 C3 H5 112.0 . . . no
C1 C3 H6 83.7 . . . no
C1 C3 H6 83.6 . . . no
C1 C3 H6 121.1 . . . no
C1 C3 H6 121.1 . . . no
C2 C3 C4 120.7(7) . . . ?
C2 C3 C5 151.0(5) . . . ?
C2 C3 C6 30.4(4) . . . ?
C2 C3 C7 100.5(5) . . . ?
C2 C3 H1 21.0 . . . no
C2 C3 H1 92.7 . . . no
C2 C3 H1 92.7 . . . no
C2 C3 H2 119.4 . . . no
C2 C3 H3 173.0 . . . no
C2 C3 H4 143.6 . . . no
C2 C3 H4 143.6 . . . no
C2 C3 H5 51.7 . . . no
C2 C3 H6 26.1 . . . no
C2 C3 H6 26.1 . . . no
C2 C3 H6 132.4 . . . no
C2 C3 H6 132.4 . . . no
C4 C3 C5 30.3(4) . . . ?
C4 C3 C6 151.1(6) . . . ?
C4 C3 C7 20.2(4) . . . ?
C4 C3 H1 99.7 . . . no
C4 C3 H1 110.0 . . . no
C4 C3 H1 110.0 . . . no
C4 C3 H2 119.8 . . . no
C4 C3 H3 52.3 . . . no
C4 C3 H4 29.1 . . . no
C4 C3 H4 29.1 . . . no
C4 C3 H5 172.4 . . . no
C4 C3 H6 142.2 . . . no
C4 C3 H6 142.2 . . . no
C4 C3 H6 80.5 . . . no
C4 C3 H6 80.5 . . . no
C5 C3 C6 178.6(4) . . . ?
C5 C3 C7 50.4(3) . . . ?
C5 C3 H1 129.9 . . . no
C5 C3 H1 99.5 . . . no
C5 C3 H1 99.5 . . . no
C5 C3 H2 89.6 . . . no
C5 C3 H3 22.1 . . . no
C5 C3 H4 15.1 . . . no
C5 C3 H4 15.1 . . . no
C5 C3 H5 157.3 . . . no
C5 C3 H6 166.5 . . . no
C5 C3 H6 166.5 . . . no
C5 C3 H6 60.8 . . . no
C5 C3 H6 60.7 . . . no
C6 C3 C7 130.9(3) . . . ?
C6 C3 H1 51.4 . . . no
C6 C3 H1 79.9 . . . no
C6 C3 H1 79.9 . . . no
C6 C3 H2 89.1 . . . no
C6 C3 H3 156.6 . . . no
C6 C3 H4 165.2 . . . no
C6 C3 H4 165.2 . . . no
C6 C3 H5 21.3 . . . no
C6 C3 H6 14.1 . . . no
C6 C3 H6 14.1 . . . no
C6 C3 H6 118.4 . . . no
C6 C3 H6 118.5 . . . no
C7 C3 H1 79.5 . . . no
C7 C3 H1 114.2 . . . no
C7 C3 H1 114.2 . . . no
C7 C3 H2 140.0 . . . no
C7 C3 H3 72.5 . . . no
C7 C3 H4 47.4 . . . no
C7 C3 H4 47.4 . . . no
C7 C3 H5 152.2 . . . no
C7 C3 H6 122.9 . . . no
C7 C3 H6 122.9 . . . no
C7 C3 H6 94.7 . . . no
C7 C3 H6 94.7 . . . no
H1 C3 H1 101.3 . . . no
H1 C3 H1 101.4 . . . no
H1 C3 H2 140.5 . . . no
H1 C3 H3 152.0 . . . no
H1 C3 H4 123.9 . . . no
H1 C3 H4 123.9 . . . no
H1 C3 H5 72.8 . . . no
H1 C3 H6 45.6 . . . no
H1 C3 H6 45.6 . . . no
H1 C3 H6 134.8 . . . no
H1 C3 H6 134.8 . . . no
H1 C3 H1 129.3 4_655 4_655 4_655 no
H1 C3 H2 66.8 4_655 4_655 4_655 no
H1 C3 H3 90.3 4_655 4_655 4_655 no
H1 C3 H4 88.1 4_655 4_655 4_655 no
H1 C3 H4 114.6 4_655 4_655 4_655 no
H1 C3 H5 72.2 4_655 4_655 4_655 no
H1 C3 H6 71.8 4_655 4_655 4_655 no
H1 C3 H6 93.9 4_655 4_655 4_655 no
H1 C3 H6 40.5 4_655 4_655 4_655 no
H1 C3 H6 121.3 4_655 4_655 4_655 no
H1 C3 H2 66.8 4_665 4_665 4_665 no
H1 C3 H3 90.3 4_665 4_665 4_665 no
H1 C3 H4 114.6 4_665 4_665 4_665 no
H1 C3 H4 88.1 4_665 4_665 4_665 no
H1 C3 H5 72.3 4_665 4_665 4_665 no
H1 C3 H6 94.0 4_665 4_665 4_665 no
H1 C3 H6 71.8 4_665 4_665 4_665 no
H1 C3 H6 121.3 4_665 4_665 4_665 no
H1 C3 H6 40.5 4_665 4_665 4_665 no
H2 C3 H3 67.5 . . . no
H2 C3 H4 94.2 . . . no
H2 C3 H4 94.2 . . . no
H2 C3 H5 67.7 . . . no
H2 C3 H6 96.1 . . . no
H2 C3 H6 96.1 . . . no
H2 C3 H6 59.1 . . . no
H2 C3 H6 59.1 . . . no
H3 C3 H4 30.2 . . . no
H3 C3 H4 30.2 . . . no
H3 C3 H5 135.3 . . . no
H3 C3 H6 159.8 . . . no
H3 C3 H6 159.8 . . . no
H3 C3 H6 49.9 . . . no
H3 C3 H6 49.9 . . . no
H4 C3 H4 28.8 . . . no
H4 C3 H5 157.1 . . . no
H4 C3 H6 151.4 . . . no
H4 C3 H6 169.5 . . . no
H4 C3 H6 52.6 . . . no
H4 C3 H6 75.2 . . . no
H4 C3 H5 157.1 7 7 7 no
H4 C3 H6 169.5 7 7 7 no
H4 C3 H6 151.4 7 7 7 no
H4 C3 H6 75.2 7 7 7 no
H4 C3 H6 52.6 7 7 7 no
H5 C3 H6 30.8 . . . no
H5 C3 H6 30.8 . . . no
H5 C3 H6 104.7 . . . no
H5 C3 H6 104.7 . . . no
H6 C3 H6 24.4 . . . no
H6 C3 H6 112.1 . . . no
H6 C3 H6 132.5 . . . no
H6 C3 H6 132.5 7 7 7 no
H6 C3 H6 112.1 7 7 7 no
H6 C3 H6 90.1 4_655 4_655 4_655 no
O1 C4 O2 57.74(13) . . . ?
O1 C4 O2 57.73(13) . . . ?
O1 C4 O3 81.7(2) . . . ?
O1 C4 O3 81.7(2) . . . ?
O1 C4 O4 90.6(2) . . . ?
O1 C4 O4 90.5(2) . . . ?
O1 C4 N1 19.2(3) . . . ?
O1 C4 N2 40.4(2) . . . ?
O1 C4 N3 75.3(2) . . . ?
O1 C4 N3 75.3(2) . . . ?
O1 C4 C1 9.4(2) . . . ?
O1 C4 C2 69.8(3) . . . ?
O1 C4 C3 99.2(5) . . . ?
O1 C4 C5 139.2(5) . . . ?
O1 C4 C6 80.5(2) . . . ?
O1 C4 C7 49.5(3) . . . ?
O1 C4 C8 58.0(2) . . . ?
O1 C4 C8 58.0(2) . . . ?
O1 C4 H1 40.7 . . . no
O1 C4 H2 123.3 . . . no
O1 C4 H3 166.1 . . . no
O1 C4 H4 122.0 . . . no
O1 C4 H4 122.0 . . . no
O1 C4 H5 94.3 . . . no
O1 C4 H6 134.9 . . . no
O1 C4 H6 134.9 . . . no
O1 C4 H7 60.7 . . . no
O1 C4 H7 60.7 . . . no
O2 C4 O2 113.9(3) . . . ?
O2 C4 O3 32.83(10) . . . ?
O2 C4 O3 124.6(2) . . . ?
O2 C4 O4 34.04(12) . . . ?
O2 C4 O4 147.8(3) . . . ?
O2 C4 N1 62.2(2) . . . ?
O2 C4 N2 61.3(1) . . . ?
O2 C4 N3 18.33(11) . . . ?
O2 C4 N3 129.0(3) . . . ?
O2 C4 C1 56.98(13) . . . ?
O2 C4 C2 73.1(2) . . . ?
O2 C4 C3 88.5(3) . . . ?
O2 C4 C5 118.5(2) . . . ?
O2 C4 C6 78.5(2) . . . ?
O2 C4 C7 74.9(2) . . . ?
O2 C4 C8 60.4(2) . . . ?
O2 C4 C8 95.8(2) . . . ?
O2 C4 H1 61.4 . . . no
O2 C4 H2 101.5 . . . no
O2 C4 H3 123.0 . . . no
O2 C4 H4 92.7 . . . no
O2 C4 H4 133.6 . . . no
O2 C4 H5 85.8 . . . no
O2 C4 H6 77.2 . . . no
O2 C4 H6 162.0 . . . no
O2 C4 H7 45.7 . . . no
O2 C4 H7 108.5 . . . no
O2 C4 O3 124.6(2) 1_565 1_565 1_565 ?
O2 C4 O3 32.84(10) 1_565 1_565 1_565 ?
O2 C4 O4 147.8(3) 1_565 1_565 1_565 ?
O2 C4 O4 34.04(12) 1_565 1_565 1_565 ?
O2 C4 N1 62.2(2) 1_565 1_565 1_565 ?
O2 C4 N2 61.4(1) 1_565 1_565 1_565 ?
O2 C4 N3 129.0(3) 1_565 1_565 1_565 ?
O2 C4 N3 18.33(11) 1_565 1_565 1_565 ?
O2 C4 C1 56.98(13) 1_565 1_565 1_565 ?
O2 C4 C2 73.2(2) 1_565 1_565 1_565 ?
O2 C4 C3 88.6(3) 1_565 1_565 1_565 ?
O2 C4 C5 118.5(2) 1_565 1_565 1_565 ?
O2 C4 C6 78.5(2) 1_565 1_565 1_565 ?
O2 C4 C7 74.8(2) 1_565 1_565 1_565 ?
O2 C4 C8 95.8(2) 1_565 1_565 1_565 ?
O2 C4 C8 60.4(2) 1_565 1_565 1_565 ?
O2 C4 H1 61.5 1_565 1_565 1_565 no
O2 C4 H2 101.5 1_565 1_565 1_565 no
O2 C4 H3 123.0 1_565 1_565 1_565 no
O2 C4 H4 133.6 1_565 1_565 1_565 no
O2 C4 H4 92.6 1_565 1_565 1_565 no
O2 C4 H5 85.9 1_565 1_565 1_565 no
O2 C4 H6 162.0 1_565 1_565 1_565 no
O2 C4 H6 77.2 1_565 1_565 1_565 no
O2 C4 H7 108.5 1_565 1_565 1_565 no
O2 C4 H7 45.7 1_565 1_565 1_565 no
O3 C4 O3 114.4(2) . . . ?
O3 C4 O4 34.82(12) . . . ?
O3 C4 O4 149.2(3) . . . ?
O3 C4 N1 92.1(3) . . . ?
O3 C4 N2 63.35(13) . . . ?
O3 C4 N3 19.31(11) . . . ?
O3 C4 N3 129.7(2) . . . ?
O3 C4 C1 76.8(2) . . . ?
O3 C4 C2 57.30(11) . . . ?
O3 C4 C3 60.5(2) . . . ?
O3 C4 C5 116.8(2) . . . ?
O3 C4 C6 57.38(11) . . . ?
O3 C4 C7 107.6(2) . . . ?
O3 C4 C8 91.6(2) . . . ?
O3 C4 C8 128.6(2) . . . ?
O3 C4 H1 63.2 . . . no
O3 C4 H2 69.1 . . . no
O3 C4 H3 105.4 . . . no
O3 C4 H4 98.6 . . . no
O3 C4 H4 142.6 . . . no
O3 C4 H5 59.3 . . . no
O3 C4 H6 57.1 . . . no
O3 C4 H6 129.3 . . . no
O3 C4 H7 75.4 . . . no
O3 C4 H7 140.0 . . . no
O3 C4 O4 149.2(3) 1_565 1_565 1_565 ?
O3 C4 O4 34.83(12) 1_565 1_565 1_565 ?
O3 C4 N1 92.0(3) 1_565 1_565 1_565 ?
O3 C4 N2 63.36(13) 1_565 1_565 1_565 ?
O3 C4 N3 129.7(2) 1_565 1_565 1_565 ?
O3 C4 N3 19.32(11) 1_565 1_565 1_565 ?
O3 C4 C1 76.8(2) 1_565 1_565 1_565 ?
O3 C4 C2 57.32(11) 1_565 1_565 1_565 ?
O3 C4 C3 60.5(2) 1_565 1_565 1_565 ?
O3 C4 C5 116.8(2) 1_565 1_565 1_565 ?
O3 C4 C6 57.40(11) 1_565 1_565 1_565 ?
O3 C4 C7 107.6(2) 1_565 1_565 1_565 ?
O3 C4 C8 128.6(2) 1_565 1_565 1_565 ?
O3 C4 C8 91.6(2) 1_565 1_565 1_565 ?
O3 C4 H1 63.3 1_565 1_565 1_565 no
O3 C4 H2 69.1 1_565 1_565 1_565 no
O3 C4 H3 105.4 1_565 1_565 1_565 no
O3 C4 H4 142.6 1_565 1_565 1_565 no
O3 C4 H4 98.6 1_565 1_565 1_565 no
O3 C4 H5 59.3 1_565 1_565 1_565 no
O3 C4 H6 129.3 1_565 1_565 1_565 no
O3 C4 H6 57.1 1_565 1_565 1_565 no
O3 C4 H7 140.0 1_565 1_565 1_565 no
O3 C4 H7 75.4 1_565 1_565 1_565 no
O4 C4 O4 176.0(4) . . . ?
O4 C4 N1 89.9(2) . . . ?
O4 C4 N2 91.7(2) . . . ?
O4 C4 N3 21.36(12) . . . ?
O4 C4 N3 162.0(3) . . . ?
O4 C4 C1 90.9(2) . . . ?
O4 C4 C2 92.0(2) . . . ?
O4 C4 C3 91.8(2) . . . ?
O4 C4 C5 88.3(2) . . . ?
O4 C4 C6 92.0(2) . . . ?
O4 C4 C7 88.9(2) . . . ?
O4 C4 C8 68.0(2) . . . ?
O4 C4 C8 109.5(2) . . . ?
O4 C4 H1 91.7 . . . no
O4 C4 H2 91.3 . . . no
O4 C4 H3 89.0 . . . no
O4 C4 H4 65.6 . . . no
O4 C4 H4 110.7 . . . no
O4 C4 H5 91.9 . . . no
O4 C4 H6 45.3 . . . no
O4 C4 H6 134.1 . . . no
O4 C4 H7 51.6 . . . no
O4 C4 H7 126.1 . . . no
O4 C4 N1 89.9(2) 1_565 1_565 1_565 ?
O4 C4 N2 91.7(2) 1_565 1_565 1_565 ?
O4 C4 N3 162.0(3) 1_565 1_565 1_565 ?
O4 C4 N3 21.37(12) 1_565 1_565 1_565 ?
O4 C4 C1 90.9(2) 1_565 1_565 1_565 ?
O4 C4 C2 92.0(2) 1_565 1_565 1_565 ?
O4 C4 C3 91.8(2) 1_565 1_565 1_565 ?
O4 C4 C5 88.3(2) 1_565 1_565 1_565 ?
O4 C4 C6 92.0(2) 1_565 1_565 1_565 ?
O4 C4 C7 88.9(2) 1_565 1_565 1_565 ?
O4 C4 C8 109.5(2) 1_565 1_565 1_565 ?
O4 C4 C8 67.9(2) 1_565 1_565 1_565 ?
O4 C4 H1 91.7 1_565 1_565 1_565 no
O4 C4 H2 91.3 1_565 1_565 1_565 no
O4 C4 H3 89.0 1_565 1_565 1_565 no
O4 C4 H4 110.7 1_565 1_565 1_565 no
O4 C4 H4 65.5 1_565 1_565 1_565 no
O4 C4 H5 91.9 1_565 1_565 1_565 no
O4 C4 H6 134.1 1_565 1_565 1_565 no
O4 C4 H6 45.4 1_565 1_565 1_565 no
O4 C4 H7 126.1 1_565 1_565 1_565 no
O4 C4 H7 51.6 1_565 1_565 1_565 no
N1 C4 N2 59.6(4) . . . ?
N1 C4 N3 80.5(2) . . . ?
N1 C4 N3 80.4(2) . . . ?
N1 C4 C1 28.6(3) . . . ?
N1 C4 C2 89.0(5) . . . ?
N1 C4 C3 118.5(7) . . . ?
N1 C4 C5 119.9(6) . . . ?
N1 C4 C6 99.8(4) . . . ?
N1 C4 C7 30.2(3) . . . ?
N1 C4 C8 41.0(3) . . . ?
N1 C4 C8 41.0(3) . . . ?
N1 C4 H1 59.9 . . . no
N1 C4 H2 142.6 . . . no
N1 C4 H3 146.8 . . . no
N1 C4 H4 104.5 . . . no
N1 C4 H4 104.5 . . . no
N1 C4 H5 113.5 . . . no
N1 C4 H6 134.6 . . . no
N1 C4 H6 134.6 . . . no
N1 C4 H7 48.0 . . . no
N1 C4 H7 48.0 . . . no
N2 C4 N3 70.3(2) . . . ?
N2 C4 N3 70.4(2) . . . ?
N2 C4 C1 31.0(2) . . . ?
N2 C4 C2 29.4(2) . . . ?
N2 C4 C3 58.8(4) . . . ?
N2 C4 C5 179.5(6) . . . ?
N2 C4 C6 40.1(2) . . . ?
N2 C4 C7 89.8(3) . . . ?
N2 C4 C8 95.4(3) . . . ?
N2 C4 C8 95.4(3) . . . ?
N2 C4 H1 0.3 . . . no
N2 C4 H2 82.9 . . . no
N2 C4 H3 153.5 . . . no
N2 C4 H4 153.3 . . . no
N2 C4 H4 153.3 . . . no
N2 C4 H5 53.9 . . . no
N2 C4 H6 117.8 . . . no
N2 C4 H6 117.9 . . . no
N2 C4 H7 91.9 . . . no
N2 C4 H7 92.0 . . . no
N3 C4 N3 140.7(3) . . . ?
N3 C4 C1 73.4(2) . . . ?
N3 C4 C2 72.8(2) . . . ?
N3 C4 C3 79.7(2) . . . ?
N3 C4 C5 109.7(2) . . . ?
N3 C4 C6 74.9(2) . . . ?
N3 C4 C7 90.2(2) . . . ?
N3 C4 C8 72.7(2) . . . ?
N3 C4 C8 111.8(2) . . . ?
N3 C4 H1 70.3 . . . no
N3 C4 H2 87.3 . . . no
N3 C4 H3 107.4 . . . no
N3 C4 H4 86.6 . . . no
N3 C4 H4 131.5 . . . no
N3 C4 H5 78.3 . . . no
N3 C4 H6 59.7 . . . no
N3 C4 H6 144.5 . . . no
N3 C4 H7 56.3 . . . no
N3 C4 H7 125.8 . . . no
N3 C4 C1 73.4(2) 1_565 1_565 1_565 ?
N3 C4 C2 72.8(2) 1_565 1_565 1_565 ?
N3 C4 C3 79.8(2) 1_565 1_565 1_565 ?
N3 C4 C5 109.6(2) 1_565 1_565 1_565 ?
N3 C4 C6 74.9(2) 1_565 1_565 1_565 ?
N3 C4 C7 90.2(2) 1_565 1_565 1_565 ?
N3 C4 C8 111.7(2) 1_565 1_565 1_565 ?
N3 C4 C8 72.7(2) 1_565 1_565 1_565 ?
N3 C4 H1 70.4 1_565 1_565 1_565 no
N3 C4 H2 87.4 1_565 1_565 1_565 no
N3 C4 H3 107.4 1_565 1_565 1_565 no
N3 C4 H4 131.5 1_565 1_565 1_565 no
N3 C4 H4 86.6 1_565 1_565 1_565 no
N3 C4 H5 78.4 1_565 1_565 1_565 no
N3 C4 H6 144.5 1_565 1_565 1_565 no
N3 C4 H6 59.7 1_565 1_565 1_565 no
N3 C4 H7 125.8 1_565 1_565 1_565 no
N3 C4 H7 56.3 1_565 1_565 1_565 no
C1 C4 C2 60.4(3) . . . ?
C1 C4 C3 89.8(5) . . . ?
C1 C4 C5 148.5(6) . . . ?
C1 C4 C6 71.1(3) . . . ?
C1 C4 C7 58.8(3) . . . ?
C1 C4 C8 66.5(3) . . . ?
C1 C4 C8 66.5(3) . . . ?
C1 C4 H1 31.3 . . . no
C1 C4 H2 114.0 . . . no
C1 C4 H3 175.5 . . . no
C1 C4 H4 130.2 . . . no
C1 C4 H4 130.2 . . . no
C1 C4 H5 84.9 . . . no
C1 C4 H6 132.7 . . . no
C1 C4 H6 132.7 . . . no
C1 C4 H7 67.6 . . . no
C1 C4 H7 67.6 . . . no
C2 C4 C3 29.4(4) . . . ?
C2 C4 C5 151.0(6) . . . ?
C2 C4 C6 10.7(2) . . . ?
C2 C4 C7 119.3(4) . . . ?
C2 C4 C8 122.6(3) . . . ?
C2 C4 C8 122.7(3) . . . ?
C2 C4 H1 29.1 . . . no
C2 C4 H2 53.5 . . . no
C2 C4 H3 124.1 . . . no
C2 C4 H4 153.2 . . . no
C2 C4 H4 153.2 . . . no
C2 C4 H5 24.5 . . . no
C2 C4 H6 98.1 . . . no
C2 C4 H6 98.1 . . . no
C2 C4 H7 114.9 . . . no
C2 C4 H7 114.9 . . . no
C3 C4 C5 121.6(8) . . . ?
C3 C4 C6 18.7(4) . . . ?
C3 C4 C7 148.7(7) . . . ?
C3 C4 C8 147.7(5) . . . ?
C3 C4 C8 147.7(5) . . . ?
C3 C4 H1 58.5 . . . no
C3 C4 H2 24.1 . . . no
C3 C4 H3 94.7 . . . no
C3 C4 H4 131.4 . . . no
C3 C4 H4 131.4 . . . no
C3 C4 H5 4.9 . . . no
C3 C4 H6 77.3 . . . no
C3 C4 H6 77.3 . . . no
C3 C4 H7 134.3 . . . no
C3 C4 H7 134.3 . . . no
C5 C4 C6 140.3(5) . . . ?
C5 C4 C7 89.7(5) . . . ?
C5 C4 C8 84.1(4) . . . ?
C5 C4 C8 84.1(4) . . . ?
C5 C4 H1 179.9 . . . no
C5 C4 H2 97.5 . . . no
C5 C4 H3 26.9 . . . no
C5 C4 H4 26.4 . . . no
C5 C4 H4 26.4 . . . no
C5 C4 H5 126.6 . . . no
C5 C4 H6 62.4 . . . no
C5 C4 H6 62.4 . . . no
C5 C4 H7 87.7 . . . no
C5 C4 H7 87.7 . . . no
C6 C4 C7 130.0(4) . . . ?
C6 C4 C8 132.2(3) . . . ?
C6 C4 C8 132.2(3) . . . ?
C6 C4 H1 39.8 . . . no
C6 C4 H2 42.8 . . . no
C6 C4 H3 113.4 . . . no
C6 C4 H4 146.4 . . . no
C6 C4 H4 146.4 . . . no
C6 C4 H5 13.8 . . . no
C6 C4 H6 90.5 . . . no
C6 C4 H6 90.5 . . . no
C6 C4 H7 122.6 . . . no
C6 C4 H7 122.6 . . . no
C7 C4 C8 21.59(13) . . . ?
C7 C4 C8 21.59(13) . . . ?
C7 C4 H1 90.2 . . . no
C7 C4 H2 172.8 . . . no
C7 C4 H3 116.6 . . . no
C7 C4 H4 76.7 . . . no
C7 C4 H4 76.7 . . . no
C7 C4 H5 143.7 . . . no
C7 C4 H6 122.8 . . . no
C7 C4 H6 122.8 . . . no
C7 C4 H7 37.3 . . . no
C7 C4 H7 37.3 . . . no
C8 C4 C8 41.6(2) . . . ?
C8 C4 H1 95.7 . . . no
C8 C4 H2 159.2 . . . no
C8 C4 H3 109.3 . . . no
C8 C4 H4 64.1 . . . no
C8 C4 H4 80.5 . . . no
C8 C4 H5 143.8 . . . no
C8 C4 H6 102.1 . . . no
C8 C4 H6 134.9 . . . no
C8 C4 H7 16.7 . . . no
C8 C4 H7 58.1 . . . no
C8 C4 H1 95.7 7 7 7 no
C8 C4 H2 159.2 7 7 7 no
C8 C4 H3 109.2 7 7 7 no
C8 C4 H4 80.5 7 7 7 no
C8 C4 H4 64.1 7 7 7 no
C8 C4 H5 143.9 7 7 7 no
C8 C4 H6 135.0 7 7 7 no
C8 C4 H6 102.1 7 7 7 no
C8 C4 H7 58.1 7 7 7 no
C8 C4 H7 16.7 7 7 7 no
H1 C4 H2 82.6 . . . no
H1 C4 H3 153.2 . . . no
H1 C4 H4 153.5 . . . no
H1 C4 H4 153.5 . . . no
H1 C4 H5 53.6 . . . no
H1 C4 H6 117.6 . . . no
H1 C4 H6 117.7 . . . no
H1 C4 H7 92.2 . . . no
H1 C4 H7 92.2 . . . no
H2 C4 H3 70.6 . . . no
H2 C4 H4 109.9 . . . no
H2 C4 H4 109.9 . . . no
H2 C4 H5 29.0 . . . no
H2 C4 H6 61.4 . . . no
H2 C4 H6 61.4 . . . no
H2 C4 H7 142.5 . . . no
H2 C4 H7 142.5 . . . no
H3 C4 H4 45.9 . . . no
H3 C4 H4 45.9 . . . no
H3 C4 H5 99.6 . . . no
H3 C4 H6 48.8 . . . no
H3 C4 H6 48.8 . . . no
H3 C4 H7 108.9 . . . no
H3 C4 H7 108.9 . . . no
H4 C4 H4 45.1 . . . no
H4 C4 H5 135.6 . . . no
H4 C4 H6 55.9 . . . no
H4 C4 H6 88.7 . . . no
H4 C4 H7 63.4 . . . no
H4 C4 H7 91.0 . . . no
H4 C4 H5 135.6 7 7 7 no
H4 C4 H6 88.7 7 7 7 no
H4 C4 H6 55.9 7 7 7 no
H4 C4 H7 91.0 7 7 7 no
H4 C4 H7 63.4 7 7 7 no
H5 C4 H6 80.7 . . . no
H5 C4 H6 80.7 . . . no
H5 C4 H7 131.5 . . . no
H5 C4 H7 131.5 . . . no
H6 C4 H6 88.9 4_655 4_655 4_655 no
H6 C4 H7 89.4 4_655 4_655 4_655 no
H6 C4 H7 146.9 4_655 4_655 4_655 no
H6 C4 H7 146.9 6_655 6_655 6_655 no
H6 C4 H7 89.4 6_655 6_655 6_655 no
H7 C4 H7 74.5 . . . no
CL1 C5 CL1 105.1(2) 3_647 3_647 3_647 ?
CL1 C5 O1 65.98(12) 3_647 3_647 3_647 ?
CL1 C5 O4 60.80(10) 3_647 3_647 3_647 ?
CL1 C5 O4 165.6(2) 3_647 3_647 3_647 ?
CL1 C5 N1 120.5(2) 3_647 3_647 3_647 ?
CL1 C5 C1 123.66(12) 3_647 3_647 3_647 ?
CL1 C5 C2 126.24(10) 3_647 3_647 3_647 ?
CL1 C5 C3 123.86(12) 3_647 3_647 3_647 ?
CL1 C5 C4 127.29(10) 3_647 3_647 3_647 ?
CL1 C5 C7 105.5(2) 3_647 3_647 3_647 ?
CL1 C5 C8 83.7(2) 3_647 3_647 3_647 ?
CL1 C5 C8 115.1(2) 3_647 3_647 3_647 ?
CL1 C5 H2 115.6 3_647 3_647 3_647 no
CL1 C5 H3 81.3 3_647 3_647 3_647 no
CL1 C5 H4 29.2 3_647 3_647 3_647 no
CL1 C5 H4 114.5 3_647 3_647 3_647 no
CL1 C5 H6 50.8 3_647 3_647 3_647 no
CL1 C5 H6 128.3 3_647 3_647 3_647 no
CL1 C5 H7 75.4 3_647 3_647 3_647 no
CL1 C5 H7 129.7 3_647 3_647 3_647 no
CL1 C5 H8 73.7 3_647 3_647 3_647 no
CL1 C5 H8 40.3 3_647 3_647 3_647 no
CL1 C5 O1 65.99(12) 3_657 3_657 3_657 ?
CL1 C5 O4 165.6(2) 3_657 3_657 3_657 ?
CL1 C5 O4 60.79(10) 3_657 3_657 3_657 ?
CL1 C5 N1 120.5(2) 3_657 3_657 3_657 ?
CL1 C5 C1 123.66(12) 3_657 3_657 3_657 ?
CL1 C5 C2 126.26(10) 3_657 3_657 3_657 ?
CL1 C5 C3 123.88(12) 3_657 3_657 3_657 ?
CL1 C5 C4 127.30(10) 3_657 3_657 3_657 ?
CL1 C5 C7 105.5(2) 3_657 3_657 3_657 ?
CL1 C5 C8 115.1(2) 3_657 3_657 3_657 ?
CL1 C5 C8 83.7(2) 3_657 3_657 3_657 ?
CL1 C5 H2 115.7 3_657 3_657 3_657 no
CL1 C5 H3 81.3 3_657 3_657 3_657 no
CL1 C5 H4 114.5 3_657 3_657 3_657 no
CL1 C5 H4 29.2 3_657 3_657 3_657 no
CL1 C5 H6 128.3 3_657 3_657 3_657 no
CL1 C5 H6 50.8 3_657 3_657 3_657 no
CL1 C5 H7 129.7 3_657 3_657 3_657 no
CL1 C5 H7 75.4 3_657 3_657 3_657 no
CL1 C5 H8 40.3 3_657 3_657 3_657 no
CL1 C5 H8 73.7 3_657 3_657 3_657 no
O1 C5 O4 107.5(2) 1_556 1_556 1_556 ?
O1 C5 O4 107.5(2) 1_556 1_556 1_556 ?
O1 C5 N1 165.3(3) 1_556 1_556 1_556 ?
O1 C5 C1 156.3(3) 1_556 1_556 1_556 ?
O1 C5 C2 118.7(3) 1_556 1_556 1_556 ?
O1 C5 C3 108.5(3) 1_556 1_556 1_556 ?
O1 C5 C4 136.6(5) 1_556 1_556 1_556 ?
O1 C5 C7 164.1(3) 1_556 1_556 1_556 ?
O1 C5 C8 147.8(2) 1_556 1_556 1_556 ?
O1 C5 C8 147.8(2) 1_556 1_556 1_556 ?
O1 C5 H2 87.4 1_556 1_556 1_556 no
O1 C5 H3 27.6 1_556 1_556 1_556 no
O1 C5 H4 94.6 1_556 1_556 1_556 no
O1 C5 H4 94.6 1_556 1_556 1_556 no
O1 C5 H6 62.4 1_556 1_556 1_556 no
O1 C5 H6 62.4 1_556 1_556 1_556 no
O1 C5 H7 141.3 1_556 1_556 1_556 no
O1 C5 H7 141.3 1_556 1_556 1_556 no
O1 C5 H8 74.6 1_556 1_556 1_556 no
O1 C5 H8 74.5 1_556 1_556 1_556 no
O4 C5 O4 133.0(3) . . . ?
O4 C5 N1 69.0(2) . . . ?
O4 C5 C1 67.6(2) . . . ?
O4 C5 C2 68.1(1) . . . ?
O4 C5 C3 69.9(2) . . . ?
O4 C5 C4 66.5(1) . . . ?
O4 C5 C7 77.4(2) . . . ?
O4 C5 C8 62.9(2) . . . ?
O4 C5 C8 99.3(2) . . . ?
O4 C5 H2 75.7 . . . no
O4 C5 H3 98.4 . . . no
O4 C5 H4 51.9 . . . no
O4 C5 H4 150.5 . . . no
O4 C5 H6 46.5 . . . no
O4 C5 H6 139.2 . . . no
O4 C5 H7 47.3 . . . no
O4 C5 H7 110.6 . . . no
O4 C5 H8 126.7 . . . no
O4 C5 H8 92.3 . . . no
O4 C5 N1 69.0(2) 1_565 1_565 1_565 ?
O4 C5 C1 67.6(2) 1_565 1_565 1_565 ?
O4 C5 C2 68.1(1) 1_565 1_565 1_565 ?
O4 C5 C3 70.0(2) 1_565 1_565 1_565 ?
O4 C5 C4 66.5(1) 1_565 1_565 1_565 ?
O4 C5 C7 77.4(2) 1_565 1_565 1_565 ?
O4 C5 C8 99.3(2) 1_565 1_565 1_565 ?
O4 C5 C8 62.9(2) 1_565 1_565 1_565 ?
O4 C5 H2 75.7 1_565 1_565 1_565 no
O4 C5 H3 98.4 1_565 1_565 1_565 no
O4 C5 H4 150.5 1_565 1_565 1_565 no
O4 C5 H4 51.9 1_565 1_565 1_565 no
O4 C5 H6 139.2 1_565 1_565 1_565 no
O4 C5 H6 46.5 1_565 1_565 1_565 no
O4 C5 H7 110.6 1_565 1_565 1_565 no
O4 C5 H7 47.3 1_565 1_565 1_565 no
O4 C5 H8 92.3 1_565 1_565 1_565 no
O4 C5 H8 126.7 1_565 1_565 1_565 no
N1 C5 C1 9.0(2) . . . ?
N1 C5 C2 46.6(2) . . . ?
N1 C5 C3 56.8(3) . . . ?
N1 C5 C4 28.7(4) . . . ?
N1 C5 C7 30.6(2) . . . ?
N1 C5 C8 44.5(2) . . . ?
N1 C5 C8 44.5(2) . . . ?
N1 C5 H2 77.9 . . . no
N1 C5 H3 137.7 . . . no
N1 C5 H4 93.9 . . . no
N1 C5 H4 93.9 . . . no
N1 C5 H6 110.2 . . . no
N1 C5 H6 110.2 . . . no
N1 C5 H7 46.8 . . . no
N1 C5 H7 46.8 . . . no
N1 C5 H8 119.3 . . . no
N1 C5 H8 119.3 . . . no
C1 C5 C2 37.6(2) . . . ?
C1 C5 C3 47.8(2) . . . ?
C1 C5 C4 19.7(4) . . . ?
C1 C5 C7 39.6(2) . . . ?
C1 C5 C8 52.5(2) . . . ?
C1 C5 C8 52.6(2) . . . ?
C1 C5 H2 68.8 . . . no
C1 C5 H3 128.7 . . . no
C1 C5 H4 99.1 . . . no
C1 C5 H4 99.2 . . . no
C1 C5 H6 105.1 . . . no
C1 C5 H6 105.2 . . . no
C1 C5 H7 52.9 . . . no
C1 C5 H7 52.9 . . . no
C1 C5 H8 127.7 . . . no
C1 C5 H8 127.7 . . . no
C2 C5 C3 10.2(2) . . . ?
C2 C5 C4 17.9(4) . . . ?
C2 C5 C7 77.2(2) . . . ?
C2 C5 C8 87.5(2) . . . ?
C2 C5 C8 87.5(2) . . . ?
C2 C5 H2 31.2 . . . no
C2 C5 H3 91.1 . . . no
C2 C5 H4 118.0 . . . no
C2 C5 H4 118.0 . . . no
C2 C5 H6 82.4 . . . no
C2 C5 H6 82.4 . . . no
C2 C5 H7 82.4 . . . no
C2 C5 H7 82.4 . . . no
C2 C5 H8 158.5 . . . no
C2 C5 H8 158.5 . . . no
C3 C5 C4 28.1(4) . . . ?
C3 C5 C7 87.4(3) . . . ?
C3 C5 C8 97.1(3) . . . ?
C3 C5 C8 97.1(3) . . . ?
C3 C5 H2 21.1 . . . no
C3 C5 H3 80.9 . . . no
C3 C5 H4 121.6 . . . no
C3 C5 H4 121.6 . . . no
C3 C5 H6 76.3 . . . no
C3 C5 H6 76.3 . . . no
C3 C5 H7 90.8 . . . no
C3 C5 H7 90.8 . . . no
C3 C5 H8 162.2 . . . no
C3 C5 H8 162.2 . . . no
C4 C5 C7 59.3(4) . . . ?
C4 C5 C8 70.7(4) . . . ?
C4 C5 C8 70.7(4) . . . ?
C4 C5 H2 49.2 . . . no
C4 C5 H3 109.0 . . . no
C4 C5 H4 109.8 . . . no
C4 C5 H4 109.8 . . . no
C4 C5 H6 93.4 . . . no
C4 C5 H6 93.4 . . . no
C4 C5 H7 67.8 . . . no
C4 C5 H7 67.8 . . . no
C4 C5 H8 145.3 . . . no
C4 C5 H8 145.3 . . . no
C7 C5 C8 22.05(13) . . . ?
C7 C5 C8 22.05(13) . . . ?
C7 C5 H2 108.4 . . . no
C7 C5 H3 168.3 . . . no
C7 C5 H4 76.3 . . . no
C7 C5 H4 76.3 . . . no
C7 C5 H6 123.8 . . . no
C7 C5 H6 123.8 . . . no
C7 C5 H7 34.3 . . . no
C7 C5 H7 34.3 . . . no
C7 C5 H8 90.3 . . . no
C7 C5 H8 90.3 . . . no
C8 C5 C8 39.3(2) . . . ?
C8 C5 H2 116.8 . . . no
C8 C5 H3 160.3 . . . no
C8 C5 H4 54.5 . . . no
C8 C5 H4 88.0 . . . no
C8 C5 H6 107.1 . . . no
C8 C5 H6 145.6 . . . no
C8 C5 H7 15.6 . . . no
C8 C5 H7 54.2 . . . no
C8 C5 H8 87.1 . . . no
C8 C5 H8 75.2 . . . no
C8 C5 H2 116.8 7 7 7 no
C8 C5 H3 160.3 7 7 7 no
C8 C5 H4 88.0 7 7 7 no
C8 C5 H4 54.5 7 7 7 no
C8 C5 H6 145.6 7 7 7 no
C8 C5 H6 107.1 7 7 7 no
C8 C5 H7 54.2 7 7 7 no
C8 C5 H7 15.6 7 7 7 no
C8 C5 H8 75.2 7 7 7 no
C8 C5 H8 87.1 7 7 7 no
H2 C5 H3 59.8 . . . no
H2 C5 H4 125.6 . . . no
H2 C5 H4 125.6 . . . no
H2 C5 H6 64.8 . . . no
H2 C5 H6 64.9 . . . no
H2 C5 H7 108.1 . . . no
H2 C5 H7 108.1 . . . no
H2 C5 H8 154.4 . . . no
H2 C5 H8 154.4 . . . no
H3 C5 H4 109.9 . . . no
H3 C5 H4 109.9 . . . no
H3 C5 H6 53.3 . . . no
H3 C5 H6 53.3 . . . no
H3 C5 H7 145.0 . . . no
H3 C5 H7 145.0 . . . no
H3 C5 H8 100.8 . . . no
H3 C5 H8 100.8 . . . no
H4 C5 H4 108.4 . . . no
H4 C5 H6 68.5 . . . no
H4 C5 H6 155.7 . . . no
H4 C5 H7 47.3 . . . no
H4 C5 H7 103.4 . . . no
H4 C5 H8 74.8 . . . no
H4 C5 H8 41.0 . . . no
H4 C5 H6 155.7 7 7 7 no
H4 C5 H6 68.4 7 7 7 no
H4 C5 H7 103.4 7 7 7 no
H4 C5 H7 47.3 7 7 7 no
H4 C5 H8 41.0 7 7 7 no
H4 C5 H8 74.8 7 7 7 no
H6 C5 H6 104.1 4_655 4_655 4_655 no
H6 C5 H7 91.8 4_655 4_655 4_655 no
H6 C5 H7 156.3 4_655 4_655 4_655 no
H6 C5 H8 119.1 4_655 4_655 4_655 no
H6 C5 H8 90.4 4_655 4_655 4_655 no
H6 C5 H7 156.3 6_655 6_655 6_655 no
H6 C5 H7 91.8 6_655 6_655 6_655 no
H6 C5 H8 90.4 6_655 6_655 6_655 no
H6 C5 H8 119.1 6_655 6_655 6_655 no
H7 C5 H7 68.3 . . . no
H7 C5 H8 97.2 . . . no
H7 C5 H8 77.6 . . . no
H7 C5 H8 77.6 7 7 7 no
H7 C5 H8 97.2 7 7 7 no
H8 C5 H8 35.4 3_657 3_657 3_657 no
CL1 C6 O1 69.12(12) 2_556 2_556 2_556 ?
CL1 C6 O1 69.14(12) 2_556 2_556 2_556 ?
CL1 C6 O2 75.5(2) 2_556 2_556 2_556 ?
CL1 C6 O3 118.30(11) 2_556 2_556 2_556 ?
CL1 C6 O3 118.32(11) 2_556 2_556 2_556 ?
CL1 C6 O3 103.8(2) 2_556 2_556 2_556 ?
CL1 C6 O4 70.4(2) 2_556 2_556 2_556 ?
CL1 C6 N2 149.3(3) 2_556 2_556 2_556 ?
CL1 C6 C1 157.9(3) 2_556 2_556 2_556 ?
CL1 C6 C2 178.2(5) 2_556 2_556 2_556 ?
CL1 C6 C3 154.4(3) 2_556 2_556 2_556 ?
CL1 C6 C4 164.6(3) 2_556 2_556 2_556 ?
CL1 C6 H1 127.6 2_556 2_556 2_556 no
CL1 C6 H1 106.2 2_556 2_556 2_556 no
CL1 C6 H1 106.3 2_556 2_556 2_556 no
CL1 C6 H2 133.4 2_556 2_556 2_556 no
CL1 C6 H2 102.1 2_556 2_556 2_556 no
CL1 C6 H2 102.1 2_556 2_556 2_556 no
CL1 C6 H3 69.3 2_556 2_556 2_556 no
CL1 C6 H3 69.4 2_556 2_556 2_556 no
CL1 C6 H4 52.0 2_556 2_556 2_556 no
CL1 C6 H4 52.0 2_556 2_556 2_556 no
CL1 C6 H5 71.6 2_556 2_556 2_556 no
CL1 C6 H6 69.0 2_556 2_556 2_556 no
CL1 C6 H6 69.0 2_556 2_556 2_556 no
O1 C6 O1 114.9(2) 4_655 4_655 4_655 ?
O1 C6 O2 61.33(12) 4_655 4_655 4_655 ?
O1 C6 O3 53.22(10) 4_655 4_655 4_655 ?
O1 C6 O3 151.7(2) 4_655 4_655 4_655 ?
O1 C6 O3 118.48(12) 4_655 4_655 4_655 ?
O1 C6 O4 105.1(1) 4_655 4_655 4_655 ?
O1 C6 N2 120.82(11) 4_655 4_655 4_655 ?
O1 C6 C1 118.83(12) 4_655 4_655 4_655 ?
O1 C6 C2 111.7(2) 4_655 4_655 4_655 ?
O1 C6 C3 98.5(2) 4_655 4_655 4_655 ?
O1 C6 C4 103.7(2) 4_655 4_655 4_655 ?
O1 C6 H1 122.5 4_655 4_655 4_655 no
O1 C6 H1 37.8 4_655 4_655 4_655 no
O1 C6 H1 124.7 4_655 4_655 4_655 no
O1 C6 H2 87.2 4_655 4_655 4_655 no
O1 C6 H2 67.0 4_655 4_655 4_655 no
O1 C6 H2 168.2 4_655 4_655 4_655 no
O1 C6 H3 41.5 4_655 4_655 4_655 no
O1 C6 H3 138.0 4_655 4_655 4_655 no
O1 C6 H4 56.6 4_655 4_655 4_655 no
O1 C6 H4 120.0 4_655 4_655 4_655 no
O1 C6 H5 60.3 4_655 4_655 4_655 no
O1 C6 H6 62.1 4_655 4_655 4_655 no
O1 C6 H6 135.3 4_655 4_655 4_655 no
O1 C6 O2 61.33(12) 4_665 4_665 4_665 ?
O1 C6 O3 151.7(2) 4_665 4_665 4_665 ?
O1 C6 O3 53.22(9) 4_665 4_665 4_665 ?
O1 C6 O3 118.47(12) 4_665 4_665 4_665 ?
O1 C6 O4 105.1(1) 4_665 4_665 4_665 ?
O1 C6 N2 120.80(11) 4_665 4_665 4_665 ?
O1 C6 C1 118.81(12) 4_665 4_665 4_665 ?
O1 C6 C2 111.6(2) 4_665 4_665 4_665 ?
O1 C6 C3 98.5(2) 4_665 4_665 4_665 ?
O1 C6 C4 103.7(2) 4_665 4_665 4_665 ?
O1 C6 H1 122.5 4_665 4_665 4_665 no
O1 C6 H1 124.7 4_665 4_665 4_665 no
O1 C6 H1 37.8 4_665 4_665 4_665 no
O1 C6 H2 87.2 4_665 4_665 4_665 no
O1 C6 H2 168.2 4_665 4_665 4_665 no
O1 C6 H2 67.0 4_665 4_665 4_665 no
O1 C6 H3 138.0 4_665 4_665 4_665 no
O1 C6 H3 41.5 4_665 4_665 4_665 no
O1 C6 H4 120.0 4_665 4_665 4_665 no
O1 C6 H4 56.7 4_665 4_665 4_665 no
O1 C6 H5 60.3 4_665 4_665 4_665 no
O1 C6 H6 135.3 4_665 4_665 4_665 no
O1 C6 H6 62.1 4_665 4_665 4_665 no
O2 C6 O3 92.9(2) 4_655 4_655 4_655 ?
O2 C6 O3 93.0(2) 4_655 4_655 4_655 ?
O2 C6 O3 179.3(3) 4_655 4_655 4_655 ?
O2 C6 O4 145.9(3) 4_655 4_655 4_655 ?
O2 C6 N2 135.1(3) 4_655 4_655 4_655 ?
O2 C6 C1 126.6(3) 4_655 4_655 4_655 ?
O2 C6 C2 106.3(5) 4_655 4_655 4_655 ?
O2 C6 C3 78.9(3) 4_655 4_655 4_655 ?
O2 C6 C4 89.1(2) 4_655 4_655 4_655 ?
O2 C6 H1 156.9 4_655 4_655 4_655 no
O2 C6 H1 64.2 4_655 4_655 4_655 no
O2 C6 H1 64.3 4_655 4_655 4_655 no
O2 C6 H2 57.8 4_655 4_655 4_655 no
O2 C6 H2 125.4 4_655 4_655 4_655 no
O2 C6 H2 125.4 4_655 4_655 4_655 no
O2 C6 H3 101.9 4_655 4_655 4_655 no
O2 C6 H3 101.9 4_655 4_655 4_655 no
O2 C6 H4 108.2 4_655 4_655 4_655 no
O2 C6 H4 108.3 4_655 4_655 4_655 no
O2 C6 H5 3.9 4_655 4_655 4_655 no
O2 C6 H6 120.6 4_655 4_655 4_655 no
O2 C6 H6 120.6 4_655 4_655 4_655 no
O3 C6 O3 122.7(2) . . . ?
O3 C6 O3 87.4(1) . . . ?
O3 C6 O4 103.0(2) . . . ?
O3 C6 N2 68.13(13) . . . ?
O3 C6 C1 65.61(12) . . . ?
O3 C6 C2 61.86(12) . . . ?
O3 C6 C3 62.77(12) . . . ?
O3 C6 C4 61.61(11) . . . ?
O3 C6 H1 76.5 . . . no
O3 C6 H1 28.8 . . . no
O3 C6 H1 122.6 . . . no
O3 C6 H2 67.9 . . . no
O3 C6 H2 39.2 . . . no
O3 C6 H2 130.7 . . . no
O3 C6 H3 54.0 . . . no
O3 C6 H3 164.8 . . . no
O3 C6 H4 77.2 . . . no
O3 C6 H4 150.7 . . . no
O3 C6 H5 94.8 . . . no
O3 C6 H6 66.4 . . . no
O3 C6 H6 145.8 . . . no
O3 C6 O3 87.4(1) 1_565 1_565 1_565 ?
O3 C6 O4 103.0(2) 1_565 1_565 1_565 ?
O3 C6 N2 68.11(13) 1_565 1_565 1_565 ?
O3 C6 C1 65.59(12) 1_565 1_565 1_565 ?
O3 C6 C2 61.84(12) 1_565 1_565 1_565 ?
O3 C6 C3 62.75(12) 1_565 1_565 1_565 ?
O3 C6 C4 61.58(11) 1_565 1_565 1_565 ?
O3 C6 H1 76.4 1_565 1_565 1_565 no
O3 C6 H1 122.6 1_565 1_565 1_565 no
O3 C6 H1 28.8 1_565 1_565 1_565 no
O3 C6 H2 67.9 1_565 1_565 1_565 no
O3 C6 H2 130.7 1_565 1_565 1_565 no
O3 C6 H2 39.2 1_565 1_565 1_565 no
O3 C6 H3 164.8 1_565 1_565 1_565 no
O3 C6 H3 54.0 1_565 1_565 1_565 no
O3 C6 H4 150.7 1_565 1_565 1_565 no
O3 C6 H4 77.2 1_565 1_565 1_565 no
O3 C6 H5 94.8 1_565 1_565 1_565 no
O3 C6 H6 145.8 1_565 1_565 1_565 no
O3 C6 H6 66.4 1_565 1_565 1_565 no
O3 C6 O4 33.44(13) 4_654 4_654 4_654 ?
O3 C6 N2 45.5(2) 4_654 4_654 4_654 ?
O3 C6 C1 54.1(2) 4_654 4_654 4_654 ?
O3 C6 C2 74.4(4) 4_654 4_654 4_654 ?
O3 C6 C3 101.8(3) 4_654 4_654 4_654 ?
O3 C6 C4 91.6(2) 4_654 4_654 4_654 ?
O3 C6 H1 23.8 4_654 4_654 4_654 no
O3 C6 H1 116.1 4_654 4_654 4_654 no
O3 C6 H1 116.0 4_654 4_654 4_654 no
O3 C6 H2 122.8 4_654 4_654 4_654 no
O3 C6 H2 54.7 4_654 4_654 4_654 no
O3 C6 H2 54.7 4_654 4_654 4_654 no
O3 C6 H3 77.9 4_654 4_654 4_654 no
O3 C6 H3 77.8 4_654 4_654 4_654 no
O3 C6 H4 71.2 4_654 4_654 4_654 no
O3 C6 H4 71.2 4_654 4_654 4_654 no
O3 C6 H5 175.4 4_654 4_654 4_654 no
O3 C6 H6 59.0 4_654 4_654 4_654 no
O3 C6 H6 59.0 4_654 4_654 4_654 no
O4 C6 N2 79.0(3) 4_654 4_654 4_654 ?
O4 C6 C1 87.5(2) 4_654 4_654 4_654 ?
O4 C6 C2 107.8(5) 4_654 4_654 4_654 ?
O4 C6 C3 135.2(3) 4_654 4_654 4_654 ?
O4 C6 C4 125.0(3) 4_654 4_654 4_654 ?
O4 C6 H1 57.2 4_654 4_654 4_654 no
O4 C6 H1 125.8 4_654 4_654 4_654 no
O4 C6 H1 125.8 4_654 4_654 4_654 no
O4 C6 H2 156.3 4_654 4_654 4_654 no
O4 C6 H2 63.8 4_654 4_654 4_654 no
O4 C6 H2 63.8 4_654 4_654 4_654 no
O4 C6 H3 66.2 4_654 4_654 4_654 no
O4 C6 H3 66.2 4_654 4_654 4_654 no
O4 C6 H4 48.6 4_654 4_654 4_654 no
O4 C6 H4 48.6 4_654 4_654 4_654 no
O4 C6 H5 141.9 4_654 4_654 4_654 no
O4 C6 H6 45.4 4_654 4_654 4_654 no
O4 C6 H6 45.4 4_654 4_654 4_654 no
N2 C6 C1 8.5(2) . . . ?
N2 C6 C2 28.8(4) . . . ?
N2 C6 C3 56.2(2) . . . ?
N2 C6 C4 46.0(2) . . . ?
N2 C6 H1 21.8 . . . no
N2 C6 H1 91.4 . . . no
N2 C6 H1 91.4 . . . no
N2 C6 H2 77.3 . . . no
N2 C6 H2 62.8 . . . no
N2 C6 H2 62.8 . . . no
N2 C6 H3 98.6 . . . no
N2 C6 H3 98.5 . . . no
N2 C6 H4 106.5 . . . no
N2 C6 H4 106.5 . . . no
N2 C6 H5 139.1 . . . no
N2 C6 H6 89.6 . . . no
N2 C6 H6 89.6 . . . no
C1 C6 C2 20.3(4) . . . ?
C1 C6 C3 47.7(2) . . . ?
C1 C6 C4 37.5(2) . . . ?
C1 C6 H1 30.3 . . . no
C1 C6 H1 86.4 . . . no
C1 C6 H1 86.4 . . . no
C1 C6 H2 68.8 . . . no
C1 C6 H2 66.5 . . . no
C1 C6 H2 66.5 . . . no
C1 C6 H3 102.3 . . . no
C1 C6 H3 102.3 . . . no
C1 C6 H4 112.9 . . . no
C1 C6 H4 112.8 . . . no
C1 C6 H5 130.6 . . . no
C1 C6 H6 95.7 . . . no
C1 C6 H6 95.7 . . . no
C2 C6 C3 27.4(4) . . . ?
C2 C6 C4 17.2(4) . . . ?
C2 C6 H1 50.6 . . . no
C2 C6 H1 74.8 . . . no
C2 C6 H1 74.7 . . . no
C2 C6 H2 48.5 . . . no
C2 C6 H2 76.9 . . . no
C2 C6 H2 76.9 . . . no
C2 C6 H3 110.1 . . . no
C2 C6 H3 110.0 . . . no
C2 C6 H4 126.9 . . . no
C2 C6 H4 126.9 . . . no
C2 C6 H5 110.3 . . . no
C2 C6 H6 109.8 . . . no
C2 C6 H6 109.8 . . . no
C3 C6 C4 10.2(2) . . . ?
C3 C6 H1 78.0 . . . no
C3 C6 H1 61.5 . . . no
C3 C6 H1 61.5 . . . no
C3 C6 H2 21.1 . . . no
C3 C6 H2 92.6 . . . no
C3 C6 H2 92.6 . . . no
C3 C6 H3 116.7 . . . no
C3 C6 H3 116.7 . . . no
C3 C6 H4 139.8 . . . no
C3 C6 H4 139.8 . . . no
C3 C6 H5 82.8 . . . no
C3 C6 H6 126.2 . . . no
C3 C6 H6 126.2 . . . no
C4 C6 H1 67.8 . . . no
C4 C6 H1 65.9 . . . no
C4 C6 H1 65.9 . . . no
C4 C6 H2 31.3 . . . no
C4 C6 H2 86.7 . . . no
C4 C6 H2 86.7 . . . no
C4 C6 H3 114.9 . . . no
C4 C6 H3 114.9 . . . no
C4 C6 H4 136.2 . . . no
C4 C6 H4 136.2 . . . no
C4 C6 H5 93.0 . . . no
C4 C6 H6 120.7 . . . no
C4 C6 H6 120.6 . . . no
H1 C6 H1 104.0 . . . no
H1 C6 H1 104.0 . . . no
H1 C6 H2 99.1 . . . no
H1 C6 H2 56.0 . . . no
H1 C6 H2 56.0 . . . no
H1 C6 H3 88.6 . . . no
H1 C6 H3 88.5 . . . no
H1 C6 H4 89.6 . . . no
H1 C6 H4 89.6 . . . no
H1 C6 H5 160.8 . . . no
H1 C6 H6 74.3 . . . no
H1 C6 H6 74.3 . . . no
H1 C6 H1 107.5 4_655 4_655 4_655 no
H1 C6 H2 55.2 4_655 4_655 4_655 no
H1 C6 H2 64.5 4_655 4_655 4_655 no
H1 C6 H2 151.6 4_655 4_655 4_655 no
H1 C6 H3 62.8 4_655 4_655 4_655 no
H1 C6 H3 166.1 4_655 4_655 4_655 no
H1 C6 H4 85.5 4_655 4_655 4_655 no
H1 C6 H4 157.8 4_655 4_655 4_655 no
H1 C6 H5 66.1 4_655 4_655 4_655 no
H1 C6 H6 81.8 4_655 4_655 4_655 no
H1 C6 H6 170.6 4_655 4_655 4_655 no
H1 C6 H2 55.2 4_665 4_665 4_665 no
H1 C6 H2 151.6 4_665 4_665 4_665 no
H1 C6 H2 64.5 4_665 4_665 4_665 no
H1 C6 H3 166.1 4_665 4_665 4_665 no
H1 C6 H3 62.8 4_665 4_665 4_665 no
H1 C6 H4 157.8 4_665 4_665 4_665 no
H1 C6 H4 85.5 4_665 4_665 4_665 no
H1 C6 H5 66.1 4_665 4_665 4_665 no
H1 C6 H6 170.6 4_665 4_665 4_665 no
H1 C6 H6 81.8 4_665 4_665 4_665 no
H2 C6 H2 104.6 . . . no
H2 C6 H2 104.6 . . . no
H2 C6 H3 117.6 . . . no
H2 C6 H3 117.6 . . . no
H2 C6 H4 140.7 . . . no
H2 C6 H4 140.7 . . . no
H2 C6 H5 61.8 . . . no
H2 C6 H6 134.1 . . . no
H2 C6 H6 134.1 . . . no
H2 C6 H2 108.7 4_654 4_654 4_654 no
H2 C6 H3 35.9 4_654 4_654 4_654 no
H2 C6 H3 128.9 4_654 4_654 4_654 no
H2 C6 H4 50.2 4_654 4_654 4_654 no
H2 C6 H4 111.9 4_654 4_654 4_654 no
H2 C6 H5 125.6 4_654 4_654 4_654 no
H2 C6 H6 34.0 4_654 4_654 4_654 no
H2 C6 H6 107.9 4_654 4_654 4_654 no
H2 C6 H3 128.9 4_664 4_664 4_664 no
H2 C6 H3 35.9 4_664 4_664 4_664 no
H2 C6 H4 111.9 4_664 4_664 4_664 no
H2 C6 H4 50.2 4_664 4_664 4_664 no
H2 C6 H5 125.6 4_664 4_664 4_664 no
H2 C6 H6 107.9 4_664 4_664 4_664 no
H2 C6 H6 34.0 4_664 4_664 4_664 no
H3 C6 H3 124.5 4_654 4_654 4_654 no
H3 C6 H4 23.8 4_654 4_654 4_654 no
H3 C6 H4 100.8 4_654 4_654 4_654 no
H3 C6 H5 100.2 4_654 4_654 4_654 no
H3 C6 H6 21.0 4_654 4_654 4_654 no
H3 C6 H6 107.8 4_654 4_654 4_654 no
H3 C6 H4 100.8 4_664 4_664 4_664 no
H3 C6 H4 23.8 4_664 4_664 4_664 no
H3 C6 H5 100.2 4_664 4_664 4_664 no
H3 C6 H6 107.8 4_664 4_664 4_664 no
H3 C6 H6 21.0 4_664 4_664 4_664 no
H4 C6 H4 77.1 4_654 4_654 4_654 no
H4 C6 H5 105.3 4_654 4_654 4_654 no
H4 C6 H6 17.3 4_654 4_654 4_654 no
H4 C6 H6 85.2 4_654 4_654 4_654 no
H4 C6 H5 105.3 6_654 6_654 6_654 no
H4 C6 H6 85.2 6_654 6_654 6_654 no
H4 C6 H6 17.3 6_654 6_654 6_654 no
H5 C6 H6 118.2 . . . no
H5 C6 H6 118.2 . . . no
H6 C6 H6 88.8 . . . no
O1 C7 O2 61.22(12) . . . ?
O1 C7 O2 61.23(12) . . . ?
O1 C7 O4 89.3(2) . . . ?
O1 C7 O4 89.3(2) . . . ?
O1 C7 N1 58.7(4) . . . ?
O1 C7 N2 38.7(2) . . . ?
O1 C7 C1 26.9(2) . . . ?
O1 C7 C3 75.5(2) . . . ?
O1 C7 C4 86.7(3) . . . ?
O1 C7 C5 117.7(3) . . . ?
O1 C7 C8 105.3(5) . . . ?
O1 C7 C8 105.3(5) . . . ?
O1 C7 C9 117.3(4) . . . ?
O1 C7 C9 117.3(4) . . . ?
O1 C7 C10 121.5(4) . . . ?
O1 C7 H3 114.8 . . . no
O1 C7 H4 126.9 . . . no
O1 C7 H4 126.9 . . . no
O1 C7 H7 93.7 . . . no
O1 C7 H7 93.7 . . . no
O1 C7 H8 115.2 . . . no
O1 C7 H8 115.2 . . . no
O2 C7 O2 107.5(2) . . . ?
O2 C7 O4 31.08(11) . . . ?
O2 C7 O4 115.5(2) . . . ?
O2 C7 N1 57.0(1) . . . ?
O2 C7 N2 53.78(10) . . . ?
O2 C7 C1 54.20(10) . . . ?
O2 C7 C3 63.03(12) . . . ?
O2 C7 C4 68.2(2) . . . ?
O2 C7 C5 85.4(2) . . . ?
O2 C7 C8 64.6(3) . . . ?
O2 C7 C8 166.3(6) . . . ?
O2 C7 C9 94.7(2) . . . ?
O2 C7 C9 150.5(3) . . . ?
O2 C7 C10 123.0(1) . . . ?
O2 C7 H3 83.6 . . . no
O2 C7 H4 78.9 . . . no
O2 C7 H4 104.6 . . . no
O2 C7 H7 41.8 . . . no
O2 C7 H7 149.2 . . . no
O2 C7 H8 86.5 . . . no
O2 C7 H8 158.2 . . . no
O2 C7 O4 115.5(2) 1_565 1_565 1_565 ?
O2 C7 O4 31.09(11) 1_565 1_565 1_565 ?
O2 C7 N1 57.0(1) 1_565 1_565 1_565 ?
O2 C7 N2 53.80(10) 1_565 1_565 1_565 ?
O2 C7 C1 54.22(10) 1_565 1_565 1_565 ?
O2 C7 C3 63.05(12) 1_565 1_565 1_565 ?
O2 C7 C4 68.2(2) 1_565 1_565 1_565 ?
O2 C7 C5 85.4(2) 1_565 1_565 1_565 ?
O2 C7 C8 166.3(6) 1_565 1_565 1_565 ?
O2 C7 C8 64.6(3) 1_565 1_565 1_565 ?
O2 C7 C9 150.5(3) 1_565 1_565 1_565 ?
O2 C7 C9 94.7(2) 1_565 1_565 1_565 ?
O2 C7 C10 123.0(1) 1_565 1_565 1_565 ?
O2 C7 H3 83.6 1_565 1_565 1_565 no
O2 C7 H4 104.6 1_565 1_565 1_565 no
O2 C7 H4 78.9 1_565 1_565 1_565 no
O2 C7 H7 149.2 1_565 1_565 1_565 no
O2 C7 H7 41.8 1_565 1_565 1_565 no
O2 C7 H8 158.2 1_565 1_565 1_565 no
O2 C7 H8 86.5 1_565 1_565 1_565 no
O4 C7 O4 106.0(2) . . . ?
O4 C7 N1 58.7(2) . . . ?
O4 C7 N2 67.31(12) . . . ?
O4 C7 C1 73.6(2) . . . ?
O4 C7 C3 54.14(10) . . . ?
O4 C7 C4 53.01(10) . . . ?
O4 C7 C5 58.16(13) . . . ?
O4 C7 C8 64.1(3) . . . ?
O4 C7 C8 161.7(7) . . . ?
O4 C7 C9 93.5(2) . . . ?
O4 C7 C9 147.4(3) . . . ?
O4 C7 C10 121.3(2) . . . ?
O4 C7 H3 57.2 . . . no
O4 C7 H4 48.3 . . . no
O4 C7 H4 77.0 . . . no
O4 C7 H7 41.5 . . . no
O4 C7 H7 147.2 . . . no
O4 C7 H8 85.1 . . . no
O4 C7 H8 153.5 . . . no
O4 C7 N1 58.7(2) 1_565 1_565 1_565 ?
O4 C7 N2 67.33(12) 1_565 1_565 1_565 ?
O4 C7 C1 73.6(2) 1_565 1_565 1_565 ?
O4 C7 C3 54.16(10) 1_565 1_565 1_565 ?
O4 C7 C4 53.03(10) 1_565 1_565 1_565 ?
O4 C7 C5 58.17(13) 1_565 1_565 1_565 ?
O4 C7 C8 161.7(7) 1_565 1_565 1_565 ?
O4 C7 C8 64.1(3) 1_565 1_565 1_565 ?
O4 C7 C9 147.4(3) 1_565 1_565 1_565 ?
O4 C7 C9 93.5(2) 1_565 1_565 1_565 ?
O4 C7 C10 121.3(2) 1_565 1_565 1_565 ?
O4 C7 H3 57.2 1_565 1_565 1_565 no
O4 C7 H4 77.0 1_565 1_565 1_565 no
O4 C7 H4 48.3 1_565 1_565 1_565 no
O4 C7 H7 147.1 1_565 1_565 1_565 no
O4 C7 H7 41.5 1_565 1_565 1_565 no
O4 C7 H8 153.5 1_565 1_565 1_565 no
O4 C7 H8 85.1 1_565 1_565 1_565 no
N1 C7 N2 19.9(3) . . . ?
N1 C7 C1 31.8(3) . . . ?
N1 C7 C3 16.9(4) . . . ?
N1 C7 C4 28.0(4) . . . ?
N1 C7 C5 59.0(4) . . . ?
N1 C7 C8 119.7(3) . . . ?
N1 C7 C8 119.8(3) . . . ?
N1 C7 C9 150.7(2) . . . ?
N1 C7 C9 150.7(2) . . . ?
N1 C7 C10 179.9(6) . . . ?
N1 C7 H3 56.1 . . . no
N1 C7 H4 70.8 . . . no
N1 C7 H4 70.8 . . . no
N1 C7 H7 95.5 . . . no
N1 C7 H7 95.6 . . . no
N1 C7 H8 142.1 . . . no
N1 C7 H8 142.1 . . . no
N2 C7 C1 11.9(2) . . . ?
N2 C7 C3 36.8(2) . . . ?
N2 C7 C4 47.9(2) . . . ?
N2 C7 C5 79.0(2) . . . ?
N2 C7 C8 117.9(4) . . . ?
N2 C7 C8 118.0(4) . . . ?
N2 C7 C9 145.3(3) . . . ?
N2 C7 C9 145.3(3) . . . ?
N2 C7 C10 160.2(4) . . . ?
N2 C7 H3 76.0 . . . no
N2 C7 H4 89.9 . . . no
N2 C7 H4 89.9 . . . no
N2 C7 H7 95.5 . . . no
N2 C7 H7 95.6 . . . no
N2 C7 H8 138.4 . . . no
N2 C7 H8 138.4 . . . no
C1 C7 C3 48.7(3) . . . ?
C1 C7 C4 59.8(3) . . . ?
C1 C7 C5 90.8(3) . . . ?
C1 C7 C8 115.1(4) . . . ?
C1 C7 C8 115.2(4) . . . ?
C1 C7 C9 138.1(4) . . . ?
C1 C7 C9 138.1(4) . . . ?
C1 C7 C10 148.3(5) . . . ?
C1 C7 H3 87.9 . . . no
C1 C7 H4 101.3 . . . no
C1 C7 H4 101.3 . . . no
C1 C7 H7 95.2 . . . no
C1 C7 H7 95.2 . . . no
C1 C7 H8 132.9 . . . no
C1 C7 H8 132.9 . . . no
C3 C7 C4 11.2(2) . . . ?
C3 C7 C5 42.2(2) . . . ?
C3 C7 C8 118.2(4) . . . ?
C3 C7 C8 118.3(4) . . . ?
C3 C7 C9 146.4(3) . . . ?
C3 C7 C9 146.4(3) . . . ?
C3 C7 C10 163.0(4) . . . ?
C3 C7 H3 39.2 . . . no
C3 C7 H4 54.7 . . . no
C3 C7 H4 54.7 . . . no
C3 C7 H7 95.0 . . . no
C3 C7 H7 95.1 . . . no
C3 C7 H8 138.6 . . . no
C3 C7 H8 138.6 . . . no
C4 C7 C5 31.0(2) . . . ?
C4 C7 C8 115.8(5) . . . ?
C4 C7 C8 115.8(5) . . . ?
C4 C7 C9 140.1(4) . . . ?
C4 C7 C9 140.1(4) . . . ?
C4 C7 C10 151.8(5) . . . ?
C4 C7 H3 28.1 . . . no
C4 C7 H4 44.3 . . . no
C4 C7 H4 44.4 . . . no
C4 C7 H7 94.5 . . . no
C4 C7 H7 94.5 . . . no
C4 C7 H8 133.5 . . . no
C4 C7 H8 133.5 . . . no
C5 C7 C8 104.5(6) . . . ?
C5 C7 C8 104.5(6) . . . ?
C5 C7 C9 116.3(4) . . . ?
C5 C7 C9 116.3(4) . . . ?
C5 C7 C10 120.8(4) . . . ?
C5 C7 H3 2.9 . . . no
C5 C7 H4 19.3 . . . no
C5 C7 H4 19.3 . . . no
C5 C7 H7 92.0 . . . no
C5 C7 H7 92.1 . . . no
C5 C7 H8 113.0 . . . no
C5 C7 H8 113.0 . . . no
C8 C7 C8 120.5(6) . . . ?
C8 C7 C9 30.9(3) . . . ?
C8 C7 C9 89.6(4) . . . ?
C8 C7 C10 60.3(3) . . . ?
C8 C7 H3 105.8 . . . no
C8 C7 H4 85.3 . . . no
C8 C7 H4 113.4 . . . no
C8 C7 H7 24.2 . . . no
C8 C7 H7 144.7 . . . no
C8 C7 H8 22.4 . . . no
C8 C7 H8 98.1 . . . no
C8 C7 C9 89.5(4) 7 7 7 ?
C8 C7 C9 30.9(3) 7 7 7 ?
C8 C7 C10 60.2(3) 7 7 7 ?
C8 C7 H3 105.8 7 7 7 no
C8 C7 H4 113.4 7 7 7 no
C8 C7 H4 85.3 7 7 7 no
C8 C7 H7 144.7 7 7 7 no
C8 C7 H7 24.2 7 7 7 no
C8 C7 H8 98.1 7 7 7 no
C8 C7 H8 22.4 7 7 7 no
C9 C7 C9 58.6(3) . . . ?
C9 C7 C10 29.3(2) . . . ?
C9 C7 H3 118.8 . . . no
C9 C7 H4 98.5 . . . no
C9 C7 H4 114.7 . . . no
C9 C7 H7 55.1 . . . no
C9 C7 H7 113.7 . . . no
C9 C7 H8 8.6 . . . no
C9 C7 H8 67.2 . . . no
C9 C7 C10 29.3(2) 7 7 7 ?
C9 C7 H3 118.8 7 7 7 no
C9 C7 H4 114.7 7 7 7 no
C9 C7 H4 98.5 7 7 7 no
C9 C7 H7 113.7 7 7 7 no
C9 C7 H7 55.1 7 7 7 no
C9 C7 H8 67.2 7 7 7 no
C9 C7 H8 8.6 7 7 7 no
C10 C7 H3 123.8 . . . no
C10 C7 H4 109.1 . . . no
C10 C7 H4 109.1 . . . no
C10 C7 H7 84.5 . . . no
C10 C7 H7 84.4 . . . no
C10 C7 H8 37.9 . . . no
C10 C7 H8 37.9 . . . no
H3 C7 H4 21.0 . . . no
H3 C7 H4 21.0 . . . no
H3 C7 H7 92.3 . . . no
H3 C7 H7 92.3 . . . no
H3 C7 H8 115.2 . . . no
H3 C7 H8 115.2 . . . no
H4 C7 H4 32.0 . . . no
H4 C7 H7 75.1 . . . no
H4 C7 H7 106.9 . . . no
H4 C7 H8 94.3 . . . no
H4 C7 H8 114.4 . . . no
H4 C7 H7 106.9 7 7 7 no
H4 C7 H7 75.1 7 7 7 no
H4 C7 H8 114.4 7 7 7 no
H4 C7 H8 94.3 7 7 7 no
H7 C7 H7 168.7 . . . no
H7 C7 H8 46.6 . . . no
H7 C7 H8 122.3 . . . no
H7 C7 H8 122.3 7 7 7 no
H7 C7 H8 46.6 7 7 7 no
H8 C7 H8 75.7 . . . no
CL1 C8 O1 119.4(2) . . . ?
CL1 C8 O2 156.0(2) . . . ?
CL1 C8 O4 152.9(2) . . . ?
CL1 C8 N1 134.3(2) . . . ?
CL1 C8 N3 165.9(2) . . . ?
CL1 C8 C1 134.4(2) . . . ?
CL1 C8 C4 136.6(2) . . . ?
CL1 C8 C5 119.8(2) . . . ?
CL1 C8 C7 102.8(4) . . . ?
CL1 C8 C8 73.01(8) . . . ?
CL1 C8 C9 16.8(3) . . . ?
CL1 C8 C9 41.94(13) . . . ?
CL1 C8 C10 12.49(10) . . . ?
CL1 C8 H4 118.1 . . . no
CL1 C8 H4 105.7 . . . no
CL1 C8 H7 136.4 . . . no
CL1 C8 H7 81.5 . . . no
CL1 C8 H7 115.3 . . . no
CL1 C8 H8 40.4 . . . no
CL1 C8 H8 42.2 . . . no
CL1 C8 H8 77.0 . . . no
O1 C8 O2 61.85(12) . . . ?
O1 C8 O4 87.4(2) . . . ?
O1 C8 N1 44.1(2) . . . ?
O1 C8 N3 70.8(1) . . . ?
O1 C8 C1 21.5(1) . . . ?
O1 C8 C4 65.1(2) . . . ?
O1 C8 C5 89.5(2) . . . ?
O1 C8 C7 51.8(5) . . . ?
O1 C8 C8 69.49(10) . . . ?
O1 C8 C9 128.7(6) . . . ?
O1 C8 C9 91.3(2) . . . ?
O1 C8 C10 111.7(3) . . . ?
O1 C8 H4 102.1 . . . no
O1 C8 H4 91.5 . . . no
O1 C8 H7 90.9 . . . no
O1 C8 H7 64.3 . . . no
O1 C8 H7 105.2 . . . no
O1 C8 H8 136.8 . . . no
O1 C8 H8 91.6 . . . no
O1 C8 H8 128.7 . . . no
O2 C8 O4 34.38(12) . . . ?
O2 C8 N1 65.3(1) . . . ?
O2 C8 N3 17.78(10) . . . ?
O2 C8 C1 55.98(10) . . . ?
O2 C8 C4 67.1(2) . . . ?
O2 C8 C5 83.5(2) . . . ?
O2 C8 C7 95.7(3) . . . ?
O2 C8 C8 124.36(10) . . . ?
O2 C8 C9 141.9(5) . . . ?
O2 C8 C9 152.7(3) . . . ?
O2 C8 C10 163.8(4) . . . ?
O2 C8 H4 82.8 . . . no
O2 C8 H4 98.0 . . . no
O2 C8 H7 29.5 . . . no
O2 C8 H7 116.4 . . . no
O2 C8 H7 47.9 . . . no
O2 C8 H8 120.1 . . . no
O2 C8 H8 152.9 . . . no
O2 C8 H8 84.7 . . . no
O4 C8 N1 66.7(2) . . . ?
O4 C8 N3 18.09(11) . . . ?
O4 C8 C1 72.3(2) . . . ?
O4 C8 C4 54.89(11) . . . ?
O4 C8 C5 58.87(13) . . . ?
O4 C8 C7 96.5(4) . . . ?
O4 C8 C8 124.10(10) . . . ?
O4 C8 C9 139.4(5) . . . ?
O4 C8 C9 150.6(3) . . . ?
O4 C8 C10 159.4(4) . . . ?
O4 C8 H4 52.6 . . . no
O4 C8 H4 74.4 . . . no
O4 C8 H7 29.6 . . . no
O4 C8 H7 116.1 . . . no
O4 C8 H7 48.2 . . . no
O4 C8 H8 117.8 . . . no
O4 C8 H8 150.0 . . . no
O4 C8 H8 83.7 . . . no
N1 C8 N3 59.64(12) . . . ?
N1 C8 C1 23.8(2) . . . ?
N1 C8 C4 21.7(2) . . . ?
N1 C8 C5 45.4(2) . . . ?
N1 C8 C7 31.5(3) . . . ?
N1 C8 C8 61.3(1) . . . ?
N1 C8 C9 151.1(4) . . . ?
N1 C8 C9 92.4(2) . . . ?
N1 C8 C10 121.8(3) . . . ?
N1 C8 H4 58.5 . . . no
N1 C8 H4 49.4 . . . no
N1 C8 H7 89.3 . . . no
N1 C8 H7 52.8 . . . no
N1 C8 H7 110.4 . . . no
N1 C8 H8 174.5 . . . no
N1 C8 H8 92.2 . . . no
N1 C8 H8 148.7 . . . no
N3 C8 C1 58.52(13) . . . ?
N3 C8 C4 54.94(12) . . . ?
N3 C8 C5 67.3(2) . . . ?
N3 C8 C7 91.2(3) . . . ?
N3 C8 C8 120.88(9) . . . ?
N3 C8 C9 149.2(4) . . . ?
N3 C8 C9 151.9(2) . . . ?
N3 C8 C10 177.4(4) . . . ?
N3 C8 H4 65.3 . . . no
N3 C8 H4 82.5 . . . no
N3 C8 H7 29.6 . . . no
N3 C8 H7 112.4 . . . no
N3 C8 H7 50.8 . . . no
N3 C8 H8 125.6 . . . no
N3 C8 H8 151.6 . . . no
N3 C8 H8 89.1 . . . no
C1 C8 C4 43.9(2) . . . ?
C1 C8 C5 68.7(2) . . . ?
C1 C8 C7 42.7(3) . . . ?
C1 C8 C8 68.77(11) . . . ?
C1 C8 C9 147.5(5) . . . ?
C1 C8 C9 97.2(2) . . . ?
C1 C8 C10 123.8(3) . . . ?
C1 C8 H4 80.8 . . . no
C1 C8 H4 73.0 . . . no
C1 C8 H7 84.9 . . . no
C1 C8 H7 61.4 . . . no
C1 C8 H7 103.9 . . . no
C1 C8 H8 158.0 . . . no
C1 C8 H8 97.3 . . . no
C1 C8 H8 137.8 . . . no
C4 C8 C5 25.2(2) . . . ?
C4 C8 C7 42.6(4) . . . ?
C4 C8 C8 69.23(11) . . . ?
C4 C8 C9 149.8(5) . . . ?
C4 C8 C9 98.2(2) . . . ?
C4 C8 C10 125.5(3) . . . ?
C4 C8 H4 37.0 . . . no
C4 C8 H4 34.0 . . . no
C4 C8 H7 82.7 . . . no
C4 C8 H7 61.2 . . . no
C4 C8 H7 102.9 . . . no
C4 C8 H8 158.1 . . . no
C4 C8 H8 97.8 . . . no
C4 C8 H8 137.4 . . . no
C5 C8 C7 53.5(5) . . . ?
C5 C8 C8 70.34(11) . . . ?
C5 C8 C9 128.0(6) . . . ?
C5 C8 C9 91.7(3) . . . ?
C5 C8 C10 112.0(3) . . . ?
C5 C8 H4 14.9 . . . no
C5 C8 H4 15.5 . . . no
C5 C8 H7 88.3 . . . no
C5 C8 H7 64.6 . . . no
C5 C8 H7 103.8 . . . no
C5 C8 H8 133.2 . . . no
C5 C8 H8 91.1 . . . no
C5 C8 H8 126.3 . . . no
C7 C8 C8 29.8(3) . . . ?
C7 C8 C9 119.6(5) . . . ?
C7 C8 C9 60.8(4) . . . ?
C7 C8 C10 90.3(4) . . . ?
C7 C8 H4 68.3 . . . no
C7 C8 H4 46.3 . . . no
C7 C8 H7 120.8 . . . no
C7 C8 H7 21.3 . . . no
C7 C8 H7 141.9 . . . no
C7 C8 H8 143.1 . . . no
C7 C8 H8 60.6 . . . no
C7 C8 H8 179.5 . . . no
C8 C8 C9 89.8(4) 7 7 7 ?
C8 C8 C9 31.1(2) 7 7 7 ?
C8 C8 C10 60.5(2) 7 7 7 ?
C8 C8 H4 82.5 7 7 7 no
C8 C8 H4 57.0 7 7 7 no
C8 C8 H7 150.5 7 7 7 no
C8 C8 H7 8.5 7 7 7 no
C8 C8 H7 171.7 7 7 7 no
C8 C8 H8 113.4 7 7 7 no
C8 C8 H8 30.9 7 7 7 no
C8 C8 H8 150.0 7 7 7 no
C9 C8 C9 58.7(4) . . . ?
C9 C8 C10 29.3(3) . . . ?
C9 C8 H4 121.7 . . . no
C9 C8 H4 116.3 . . . no
C9 C8 H7 119.6 . . . no
C9 C8 H7 98.3 . . . no
C9 C8 H7 98.5 . . . no
C9 C8 H8 23.6 . . . no
C9 C8 H8 58.9 . . . no
C9 C8 H8 60.2 . . . no
C9 C8 C10 29.4(2) 7 7 7 ?
C9 C8 H4 99.2 7 7 7 no
C9 C8 H4 76.3 7 7 7 no
C9 C8 H7 177.7 7 7 7 no
C9 C8 H7 39.5 7 7 7 no
C9 C8 H7 157.2 7 7 7 no
C9 C8 H8 82.3 7 7 7 no
C9 C8 H8 0.7 7 7 7 no
C9 C8 H8 118.9 7 7 7 no
C10 C8 H4 113.4 . . . no
C10 C8 H4 97.0 . . . no
C10 C8 H7 148.9 . . . no
C10 C8 H7 69.0 . . . no
C10 C8 H7 127.8 . . . no
C10 C8 H8 52.9 . . . no
C10 C8 H8 29.7 . . . no
C10 C8 H8 89.5 . . . no
H4 C8 H4 25.5 . . . no
H4 C8 H7 80.3 . . . no
H4 C8 H7 77.7 . . . no
H4 C8 H7 92.6 . . . no
H4 C8 H8 121.1 . . . no
H4 C8 H8 98.5 . . . no
H4 C8 H8 111.5 . . . no
H4 C8 H7 103.7 7 7 7 no
H4 C8 H7 52.4 7 7 7 no
H4 C8 H7 118.0 7 7 7 no
H4 C8 H8 127.5 7 7 7 no
H4 C8 H8 75.7 7 7 7 no
H4 C8 H8 133.3 7 7 7 no
H7 C8 H7 142.0 . . . no
H7 C8 H7 21.2 . . . no
H7 C8 H8 96.0 . . . no
H7 C8 H8 177.3 . . . no
H7 C8 H8 59.4 . . . no
H7 C8 H7 163.2 7 7 7 no
H7 C8 H8 121.8 7 7 7 no
H7 C8 H8 39.3 7 7 7 no
H7 C8 H8 158.4 7 7 7 no
H7 C8 H8 74.9 7_545 7_545 7_545 no
H7 C8 H8 157.4 7_545 7_545 7_545 no
H7 C8 H8 38.3 7_545 7_545 7_545 no
H8 C8 H8 82.5 . . . no
H8 C8 H8 36.6 . . . no
H8 C8 H8 119.1 7 7 7 no
CL1 C9 N1 136.1(2) . . . ?
CL1 C9 C7 125.0(3) . . . ?
CL1 C9 C8 154.5(5) . . . ?
CL1 C9 C8 95.4(2) . . . ?
CL1 C9 C9 64.33(13) . . . ?
CL1 C9 C9 79.7(2) . . . ?
CL1 C9 C10 34.7(3) . . . ?
CL1 C9 H4 130.4 . . . no
CL1 C9 H4 54.2 . . . no
CL1 C9 H7 178.5 . . . no
CL1 C9 H7 95.0 . . . no
CL1 C9 H7 145.8 . . . no
CL1 C9 H8 85.5 . . . no
CL1 C9 H8 55.7 . . . no
CL1 C9 H8 107.4 . . . no
CL1 C9 H8 80.3 . . . no
N1 C9 C7 11.10(9) . . . ?
N1 C9 C8 18.4(3) . . . ?
N1 C9 C8 40.73(12) . . . ?
N1 C9 C9 71.81(10) . . . ?
N1 C9 C9 110.5(3) . . . ?
N1 C9 C10 101.4(4) . . . ?
N1 C9 H4 41.3 . . . no
N1 C9 H4 150.3 . . . no
N1 C9 H7 42.3 . . . no
N1 C9 H7 41.2 . . . no
N1 C9 H7 78.1 . . . no
N1 C9 H8 138.4 . . . no
N1 C9 H8 80.4 . . . no
N1 C9 H8 116.5 . . . no
N1 C9 H8 100.2 . . . no
C7 C9 C8 29.5(3) . . . ?
C7 C9 C8 29.6(1) . . . ?
C7 C9 C9 60.7(2) . . . ?
C7 C9 C9 111.4(4) . . . ?
C7 C9 C10 90.3(4) . . . ?
C7 C9 H4 44.9 . . . no
C7 C9 H4 149.6 . . . no
C7 C9 H7 53.4 . . . no
C7 C9 H7 30.1 . . . no
C7 C9 H7 89.2 . . . no
C7 C9 H8 149.4 . . . no
C7 C9 H8 69.3 . . . no
C7 C9 H8 127.6 . . . no
C7 C9 H8 99.4 . . . no
C8 C9 C8 59.1(4) . . . ?
C8 C9 C9 90.2(4) . . . ?
C8 C9 C9 107.1(6) . . . ?
C8 C9 C10 119.8(6) . . . ?
C8 C9 H4 40.7 . . . no
C8 C9 H4 143.9 . . . no
C8 C9 H7 24.0 . . . no
C8 C9 H7 59.5 . . . no
C8 C9 H7 59.7 . . . no
C8 C9 H8 120.0 . . . no
C8 C9 H8 98.8 . . . no
C8 C9 H8 98.1 . . . no
C8 C9 H8 100.4 . . . no
C8 C9 C9 31.1(2) 7 7 7 ?
C8 C9 C9 110.1(4) 7 7 7 ?
C8 C9 C10 60.7(4) 7 7 7 ?
C8 C9 H4 61.6 7 7 7 no
C8 C9 H4 133.7 7 7 7 no
C8 C9 H7 83.1 7 7 7 no
C8 C9 H7 0.6 7 7 7 no
C8 C9 H7 118.8 7 7 7 no
C8 C9 H8 177.3 7 7 7 no
C8 C9 H8 39.7 7 7 7 no
C8 C9 H8 157.2 7 7 7 no
C8 C9 H8 96.1 7 7 7 no
C9 C9 C9 103.0(2) 7 7 7 ?
C9 C9 C10 29.6(4) 7 7 7 ?
C9 C9 H4 84.4 7 7 7 no
C9 C9 H4 108.6 7 7 7 no
C9 C9 H7 114.1 7 7 7 no
C9 C9 H7 30.7 7 7 7 no
C9 C9 H7 149.9 7 7 7 no
C9 C9 H8 149.7 7 7 7 no
C9 C9 H8 8.6 7 7 7 no
C9 C9 H8 171.7 7 7 7 no
C9 C9 H8 90.9 7 7 7 no
C9 C9 C10 92.4(7) 5_656 5_656 5_656 ?
C9 C9 H4 147.5 5_656 5_656 5_656 no
C9 C9 H4 98.5 5_656 5_656 5_656 no
C9 C9 H7 100.9 5_656 5_656 5_656 no
C9 C9 H7 110.5 5_656 5_656 5_656 no
C9 C9 H7 87.7 5_656 5_656 5_656 no
C9 C9 H8 72.5 5_656 5_656 5_656 no
C9 C9 H8 100.9 5_656 5_656 5_656 no
C9 C9 H8 75.4 5_656 5_656 5_656 no
C9 C9 H8 14.0 5_656 5_656 5_656 no
C10 C9 H4 107.1 . . . no
C10 C9 H4 83.1 . . . no
C10 C9 H7 143.8 . . . no
C10 C9 H7 60.3 . . . no
C10 C9 H7 179.5 . . . no
C10 C9 H8 120.1 . . . no
C10 C9 H8 21.1 . . . no
C10 C9 H8 142.1 . . . no
C10 C9 H8 85.3 . . . no
H4 C9 H4 109.1 . . . no
H4 C9 H7 48.7 . . . no
H4 C9 H7 61.6 . . . no
H4 C9 H7 72.5 . . . no
H4 C9 H8 116.0 . . . no
H4 C9 H8 90.4 . . . no
H4 C9 H8 101.5 . . . no
H4 C9 H8 140.5 . . . no
H4 C9 H7 127.0 5_657 5_657 5_657 no
H4 C9 H7 133.1 5_657 5_657 5_657 no
H4 C9 H7 97.2 5_657 5_657 5_657 no
H4 C9 H8 45.2 5_657 5_657 5_657 no
H4 C9 H8 100.8 5_657 5_657 5_657 no
H4 C9 H8 64.0 5_657 5_657 5_657 no
H4 C9 H8 109.5 5_657 5_657 5_657 no
H7 C9 H7 83.5 . . . no
H7 C9 H7 35.8 . . . no
H7 C9 H8 96.0 . . . no
H7 C9 H8 122.7 . . . no
H7 C9 H8 74.2 . . . no
H7 C9 H8 99.9 . . . no
H7 C9 H7 119.2 7 7 7 no
H7 C9 H8 177.0 7 7 7 no
H7 C9 H8 39.3 7 7 7 no
H7 C9 H8 157.6 7 7 7 no
H7 C9 H8 96.5 7 7 7 no
H7 C9 H8 60.3 7_545 7_545 7_545 no
H7 C9 H8 158.5 7_545 7_545 7_545 no
H7 C9 H8 38.4 7_545 7_545 7_545 no
H7 C9 H8 94.8 7_545 7_545 7_545 no
H8 C9 H8 141.0 . . . no
H8 C9 H8 22.0 . . . no
H8 C9 H8 86.5 . . . no
H8 C9 H8 163.0 7 7 7 no
H8 C9 H8 90.1 7 7 7 no
H8 C9 H8 88.3 7_545 7_545 7_545 no
CL1 C10 C7 179.4(6) . . . ?
CL1 C10 C8 150.5(2) . . . ?
CL1 C10 C8 150.5(2) . . . ?
CL1 C10 C9 119.7(4) . . . ?
CL1 C10 C9 119.6(4) . . . ?
CL1 C10 H4 51.3 . . . no
CL1 C10 H4 51.3 . . . no
CL1 C10 H7 141.7 . . . no
CL1 C10 H7 141.7 . . . no
CL1 C10 H8 95.4 . . . no
CL1 C10 H8 95.3 . . . no
CL1 C10 H8 89.1 . . . no
CL1 C10 H8 89.1 . . . no
C7 C10 C8 29.5(2) . . . ?
C7 C10 C8 29.5(2) . . . ?
C7 C10 C9 60.3(4) . . . ?
C7 C10 C9 60.4(4) . . . ?
C7 C10 H4 129.1 . . . no
C7 C10 H4 129.1 . . . no
C7 C10 H7 38.3 . . . no
C7 C10 H7 38.3 . . . no
C7 C10 H8 84.6 . . . no
C7 C10 H8 84.7 . . . no
C7 C10 H8 90.3 . . . no
C7 C10 H8 90.3 . . . no
C8 C10 C8 58.9(3) . . . ?
C8 C10 C9 30.9(3) . . . ?
C8 C10 C9 89.8(5) . . . ?
C8 C10 H4 147.6 . . . no
C8 C10 H4 104.6 . . . no
C8 C10 H7 8.8 . . . no
C8 C10 H7 67.8 . . . no
C8 C10 H8 55.2 . . . no
C8 C10 H8 114.1 . . . no
C8 C10 H8 99.4 . . . no
C8 C10 H8 81.4 . . . no
C8 C10 C9 89.8(5) 7 7 7 ?
C8 C10 C9 30.9(3) 7 7 7 ?
C8 C10 H4 104.6 7 7 7 no
C8 C10 H4 147.6 7 7 7 no
C8 C10 H7 67.7 7 7 7 no
C8 C10 H7 8.8 7 7 7 no
C8 C10 H8 114.1 7 7 7 no
C8 C10 H8 55.2 7 7 7 no
C8 C10 H8 81.4 7 7 7 no
C8 C10 H8 99.3 7 7 7 no
C9 C10 C9 120.7(7) . . . ?
C9 C10 H4 146.4 . . . no
C9 C10 H4 77.6 . . . no
C9 C10 H7 22.1 . . . no
C9 C10 H7 98.6 . . . no
C9 C10 H8 24.3 . . . no
C9 C10 H8 145.0 . . . no
C9 C10 H8 106.5 . . . no
C9 C10 H8 74.5 . . . no
C9 C10 H4 77.6 7 7 7 no
C9 C10 H4 146.4 7 7 7 no
C9 C10 H7 98.6 7 7 7 no
C9 C10 H7 22.1 7 7 7 no
C9 C10 H8 145.0 7 7 7 no
C9 C10 H8 24.3 7 7 7 no
C9 C10 H8 74.5 7 7 7 no
C9 C10 H8 106.5 7 7 7 no
H4 C10 H4 74.1 3_657 3_657 3_657 no
H4 C10 H7 149.7 3_657 3_657 3_657 no
H4 C10 H7 96.7 3_657 3_657 3_657 no
H4 C10 H8 130.3 3_657 3_657 3_657 no
H4 C10 H8 56.4 3_657 3_657 3_657 no
H4 C10 H8 105.6 3_657 3_657 3_657 no
H4 C10 H8 130.6 3_657 3_657 3_657 no
H4 C10 H7 96.7 5_657 5_657 5_657 no
H4 C10 H7 149.7 5_657 5_657 5_657 no
H4 C10 H8 56.4 5_657 5_657 5_657 no
H4 C10 H8 130.2 5_657 5_657 5_657 no
H4 C10 H8 130.6 5_657 5_657 5_657 no
H4 C10 H8 105.6 5_657 5_657 5_657 no
H7 C10 H7 76.6 . . . no
H7 C10 H8 46.4 . . . no
H7 C10 H8 122.9 . . . no
H7 C10 H8 102.1 . . . no
H7 C10 H8 79.5 . . . no
H7 C10 H8 122.9 7 7 7 no
H7 C10 H8 46.4 7 7 7 no
H7 C10 H8 79.5 7 7 7 no
H7 C10 H8 102.1 7 7 7 no
H8 C10 H8 168.9 . . . no
H8 C10 H8 109.9 . . . no
H8 C10 H8 73.1 . . . no
H8 C10 H8 73.1 7 7 7 no
H8 C10 H8 109.9 7 7 7 no
H8 C10 H8 36.9 3_656 3_656 3_656 no
O1 H1 O2 64.6 . . . no
O1 H1 O2 64.6 . . . no
O1 H1 O2 114.3 . . . no
O1 H1 O3 94.3 . . . no
O1 H1 O3 94.3 . . . no
O1 H1 O3 96.6 . . . no
O1 H1 O4 146.6 . . . no
O1 H1 N1 45.6 . . . no
O1 H1 N2 66.2 . . . no
O1 H1 N3 121.0 . . . no
O1 H1 C1 28.8 . . . no
O1 H1 C2 103.4 . . . no
O1 H1 C2 89.0 . . . no
O1 H1 C2 89.0 . . . no
O1 H1 C3 89.0 . . . no
O1 H1 C3 105.1 . . . no
O1 H1 C3 105.1 . . . no
O1 H1 C4 67.2 . . . no
O1 H1 C6 139.5 . . . no
O1 H1 C6 67.4 . . . no
O1 H1 C6 67.4 . . . no
O1 H1 H2 97.8 . . . no
O1 H1 H2 102.0 . . . no
O1 H1 H2 102.0 . . . no
O1 H1 H3 40.7 . . . no
O1 H1 H5 134.4 . . . no
O1 H1 H5 63.9 . . . no
O1 H1 H5 63.8 . . . no
O1 H1 H6 150.7 . . . no
O1 H1 H6 150.7 . . . no
O1 H1 H6 59.8 . . . no
O1 H1 H6 59.8 . . . no
O2 H1 O2 113.3 . . . no
O2 H1 O2 119.3 . . . no
O2 H1 O3 32.2 . . . no
O2 H1 O3 121.0 . . . no
O2 H1 O3 113.0 . . . no
O2 H1 O4 123.2 . . . no
O2 H1 N1 56.9 . . . no
O2 H1 N2 60.8 . . . no
O2 H1 N3 121.1 . . . no
O2 H1 C1 57.2 . . . no
O2 H1 C2 76.4 . . . no
O2 H1 C2 59.4 . . . no
O2 H1 C2 151.3 . . . no
O2 H1 C3 69.4 . . . no
O2 H1 C3 58.3 . . . no
O2 H1 C3 169.5 . . . no
O2 H1 C4 61.1 . . . no
O2 H1 C6 95.9 . . . no
O2 H1 C6 46.9 . . . no
O2 H1 C6 131.6 . . . no
O2 H1 H2 73.6 . . . no
O2 H1 H2 45.9 . . . no
O2 H1 H2 158.7 . . . no
O2 H1 H3 84.2 . . . no
O2 H1 H5 93.1 . . . no
O2 H1 H5 33.4 . . . no
O2 H1 H5 127.9 . . . no
O2 H1 H6 90.4 . . . no
O2 H1 H6 117.5 . . . no
O2 H1 H6 56.6 . . . no
O2 H1 H6 121.2 . . . no
O2 H1 O2 119.4 1_565 1_565 1_565 no
O2 H1 O3 121.0 1_565 1_565 1_565 no
O2 H1 O3 32.2 1_565 1_565 1_565 no
O2 H1 O3 113.0 1_565 1_565 1_565 no
O2 H1 O4 123.2 1_565 1_565 1_565 no
O2 H1 N1 56.9 1_565 1_565 1_565 no
O2 H1 N2 60.8 1_565 1_565 1_565 no
O2 H1 N3 121.1 1_565 1_565 1_565 no
O2 H1 C1 57.2 1_565 1_565 1_565 no
O2 H1 C2 76.4 1_565 1_565 1_565 no
O2 H1 C2 151.4 1_565 1_565 1_565 no
O2 H1 C2 59.4 1_565 1_565 1_565 no
O2 H1 C3 69.4 1_565 1_565 1_565 no
O2 H1 C3 169.5 1_565 1_565 1_565 no
O2 H1 C3 58.3 1_565 1_565 1_565 no
O2 H1 C4 61.1 1_565 1_565 1_565 no
O2 H1 C6 95.9 1_565 1_565 1_565 no
O2 H1 C6 131.6 1_565 1_565 1_565 no
O2 H1 C6 46.9 1_565 1_565 1_565 no
O2 H1 H2 73.6 1_565 1_565 1_565 no
O2 H1 H2 158.7 1_565 1_565 1_565 no
O2 H1 H2 45.9 1_565 1_565 1_565 no
O2 H1 H3 84.2 1_565 1_565 1_565 no
O2 H1 H5 93.1 1_565 1_565 1_565 no
O2 H1 H5 127.9 1_565 1_565 1_565 no
O2 H1 H5 33.4 1_565 1_565 1_565 no
O2 H1 H6 117.5 1_565 1_565 1_565 no
O2 H1 H6 90.4 1_565 1_565 1_565 no
O2 H1 H6 121.2 1_565 1_565 1_565 no
O2 H1 H6 56.5 1_565 1_565 1_565 no
O2 H1 O3 119.5 4_654 4_654 4_654 no
O2 H1 O3 119.5 4_654 4_654 4_654 no
O2 H1 O3 17.7 4_654 4_654 4_654 no
O2 H1 O4 32.4 4_654 4_654 4_654 no
O2 H1 N1 159.9 4_654 4_654 4_654 no
O2 H1 N2 179.5 4_654 4_654 4_654 no
O2 H1 N3 6.8 4_654 4_654 4_654 no
O2 H1 C1 143.1 4_654 4_654 4_654 no
O2 H1 C2 142.3 4_654 4_654 4_654 no
O2 H1 C2 59.9 4_654 4_654 4_654 no
O2 H1 C2 59.9 4_654 4_654 4_654 no
O2 H1 C3 156.7 4_654 4_654 4_654 no
O2 H1 C3 65.3 4_654 4_654 4_654 no
O2 H1 C3 65.3 4_654 4_654 4_654 no
O2 H1 C4 178.6 4_654 4_654 4_654 no
O2 H1 C6 106.2 4_654 4_654 4_654 no
O2 H1 C6 75.4 4_654 4_654 4_654 no
O2 H1 C6 75.4 4_654 4_654 4_654 no
O2 H1 H2 147.9 4_654 4_654 4_654 no
O2 H1 H2 80.7 4_654 4_654 4_654 no
O2 H1 H2 80.7 4_654 4_654 4_654 no
O2 H1 H3 73.6 4_654 4_654 4_654 no
O2 H1 H5 111.3 4_654 4_654 4_654 no
O2 H1 H5 88.4 4_654 4_654 4_654 no
O2 H1 H5 88.4 4_654 4_654 4_654 no
O2 H1 H6 90.6 4_654 4_654 4_654 no
O2 H1 H6 90.6 4_654 4_654 4_654 no
O2 H1 H6 71.2 4_654 4_654 4_654 no
O2 H1 H6 71.2 4_654 4_654 4_654 no
O3 H1 O3 109.2 . . . no
O3 H1 O3 124.2 . . . no
O3 H1 O4 104.6 . . . no
O3 H1 N1 69.0 . . . no
O3 H1 N2 60.3 . . . no
O3 H1 N3 117.0 . . . no
O3 H1 C1 77.9 . . . no
O3 H1 C2 54.8 . . . no
O3 H1 C2 69.2 . . . no
O3 H1 C2 176.4 . . . no
O3 H1 C3 55.0 . . . no
O3 H1 C3 55.9 . . . no
O3 H1 C3 155.8 . . . no
O3 H1 C4 60.0 . . . no
O3 H1 C6 64.5 . . . no
O3 H1 C6 68.3 . . . no
O3 H1 C6 160.8 . . . no
O3 H1 H2 54.6 . . . no
O3 H1 H2 40.4 . . . no
O3 H1 H2 145.7 . . . no
O3 H1 H3 115.6 . . . no
O3 H1 H5 62.4 . . . no
O3 H1 H5 57.2 . . . no
O3 H1 H5 150.7 . . . no
O3 H1 H6 58.6 . . . no
O3 H1 H6 85.6 . . . no
O3 H1 H6 81.3 . . . no
O3 H1 H6 153.3 . . . no
O3 H1 O3 124.2 1_565 1_565 1_565 no
O3 H1 O4 104.7 1_565 1_565 1_565 no
O3 H1 N1 69.0 1_565 1_565 1_565 no
O3 H1 N2 60.3 1_565 1_565 1_565 no
O3 H1 N3 117.0 1_565 1_565 1_565 no
O3 H1 C1 77.8 1_565 1_565 1_565 no
O3 H1 C2 54.8 1_565 1_565 1_565 no
O3 H1 C2 176.4 1_565 1_565 1_565 no
O3 H1 C2 69.2 1_565 1_565 1_565 no
O3 H1 C3 55.0 1_565 1_565 1_565 no
O3 H1 C3 155.8 1_565 1_565 1_565 no
O3 H1 C3 55.9 1_565 1_565 1_565 no
O3 H1 C4 60.0 1_565 1_565 1_565 no
O3 H1 C6 64.5 1_565 1_565 1_565 no
O3 H1 C6 160.8 1_565 1_565 1_565 no
O3 H1 C6 68.3 1_565 1_565 1_565 no
O3 H1 H2 54.6 1_565 1_565 1_565 no
O3 H1 H2 145.7 1_565 1_565 1_565 no
O3 H1 H2 40.4 1_565 1_565 1_565 no
O3 H1 H3 115.6 1_565 1_565 1_565 no
O3 H1 H5 62.4 1_565 1_565 1_565 no
O3 H1 H5 150.7 1_565 1_565 1_565 no
O3 H1 H5 57.2 1_565 1_565 1_565 no
O3 H1 H6 85.6 1_565 1_565 1_565 no
O3 H1 H6 58.6 1_565 1_565 1_565 no
O3 H1 H6 153.3 1_565 1_565 1_565 no
O3 H1 H6 81.3 1_565 1_565 1_565 no
O3 H1 O4 50.1 4_654 4_654 4_654 no
O3 H1 N1 142.2 4_654 4_654 4_654 no
O3 H1 N2 162.8 4_654 4_654 4_654 no
O3 H1 N3 24.5 4_654 4_654 4_654 no
O3 H1 C1 125.4 4_654 4_654 4_654 no
O3 H1 C2 160.0 4_654 4_654 4_654 no
O3 H1 C2 56.5 4_654 4_654 4_654 no
O3 H1 C2 56.5 4_654 4_654 4_654 no
O3 H1 C3 174.4 4_654 4_654 4_654 no
O3 H1 C3 68.4 4_654 4_654 4_654 no
O3 H1 C3 68.4 4_654 4_654 4_654 no
O3 H1 C4 163.7 4_654 4_654 4_654 no
O3 H1 C6 123.9 4_654 4_654 4_654 no
O3 H1 C6 66.3 4_654 4_654 4_654 no
O3 H1 C6 66.3 4_654 4_654 4_654 no
O3 H1 H2 165.6 4_654 4_654 4_654 no
O3 H1 H2 83.9 4_654 4_654 4_654 no
O3 H1 H2 83.9 4_654 4_654 4_654 no
O3 H1 H3 55.9 4_654 4_654 4_654 no
O3 H1 H5 129.0 4_654 4_654 4_654 no
O3 H1 H5 79.8 4_654 4_654 4_654 no
O3 H1 H5 79.8 4_654 4_654 4_654 no
O3 H1 H6 107.6 4_654 4_654 4_654 no
O3 H1 H6 107.6 4_654 4_654 4_654 no
O3 H1 H6 58.8 4_654 4_654 4_654 no
O3 H1 H6 58.8 4_654 4_654 4_654 no
O4 H1 N1 167.8 4_654 4_654 4_654 no
O4 H1 N2 147.1 4_654 4_654 4_654 no
O4 H1 N3 25.6 4_654 4_654 4_654 no
O4 H1 C1 175.4 4_654 4_654 4_654 no
O4 H1 C2 110.0 4_654 4_654 4_654 no
O4 H1 C2 73.0 4_654 4_654 4_654 no
O4 H1 C2 73.0 4_654 4_654 4_654 no
O4 H1 C3 124.4 4_654 4_654 4_654 no
O4 H1 C3 66.1 4_654 4_654 4_654 no
O4 H1 C3 66.2 4_654 4_654 4_654 no
O4 H1 C4 146.2 4_654 4_654 4_654 no
O4 H1 C6 73.8 4_654 4_654 4_654 no
O4 H1 C6 94.2 4_654 4_654 4_654 no
O4 H1 C6 94.2 4_654 4_654 4_654 no
O4 H1 H2 115.5 4_654 4_654 4_654 no
O4 H1 H2 77.3 4_654 4_654 4_654 no
O4 H1 H2 77.3 4_654 4_654 4_654 no
O4 H1 H3 105.9 4_654 4_654 4_654 no
O4 H1 H5 79.0 4_654 4_654 4_654 no
O4 H1 H5 104.0 4_654 4_654 4_654 no
O4 H1 H5 104.0 4_654 4_654 4_654 no
O4 H1 H6 59.6 4_654 4_654 4_654 no
O4 H1 H6 59.6 4_654 4_654 4_654 no
O4 H1 H6 95.8 4_654 4_654 4_654 no
O4 H1 H6 95.8 4_654 4_654 4_654 no
N1 H1 N2 20.6 . . . no
N1 H1 N3 166.6 . . . no
N1 H1 C1 16.8 . . . no
N1 H1 C2 57.8 . . . no
N1 H1 C2 112.7 . . . no
N1 H1 C2 112.7 . . . no
N1 H1 C3 43.4 . . . no
N1 H1 C3 115.2 . . . no
N1 H1 C3 115.2 . . . no
N1 H1 C4 21.6 . . . no
N1 H1 C6 93.9 . . . no
N1 H1 C6 93.0 . . . no
N1 H1 C6 93.0 . . . no
N1 H1 H2 52.2 . . . no
N1 H1 H2 101.9 . . . no
N1 H1 H2 101.8 . . . no
N1 H1 H3 86.3 . . . no
N1 H1 H5 88.8 . . . no
N1 H1 H5 81.7 . . . no
N1 H1 H5 81.7 . . . no
N1 H1 H6 108.7 . . . no
N1 H1 H6 108.7 . . . no
N1 H1 H6 93.6 . . . no
N1 H1 H6 93.6 . . . no
N2 H1 N3 172.7 . . . no
N2 H1 C1 37.4 . . . no
N2 H1 C2 37.2 . . . no
N2 H1 C2 120.2 . . . no
N2 H1 C2 120.2 . . . no
N2 H1 C3 22.8 . . . no
N2 H1 C3 114.6 . . . no
N2 H1 C3 114.6 . . . no
N2 H1 C4 0.9 . . . no
N2 H1 C6 73.3 . . . no
N2 H1 C6 104.9 . . . no
N2 H1 C6 104.9 . . . no
N2 H1 H2 31.6 . . . no
N2 H1 H2 99.2 . . . no
N2 H1 H2 99.2 . . . no
N2 H1 H3 106.9 . . . no
N2 H1 H5 68.2 . . . no
N2 H1 H5 91.9 . . . no
N2 H1 H5 91.9 . . . no
N2 H1 H6 88.9 . . . no
N2 H1 H6 88.9 . . . no
N2 H1 H6 109.2 . . . no
N2 H1 H6 109.1 . . . no
N3 H1 C1 149.8 4_654 4_654 4_654 no
N3 H1 C2 135.6 4_654 4_654 4_654 no
N3 H1 C2 62.0 4_654 4_654 4_654 no
N3 H1 C2 62.1 4_654 4_654 4_654 no
N3 H1 C3 150.0 4_654 4_654 4_654 no
N3 H1 C3 64.8 4_654 4_654 4_654 no
N3 H1 C3 64.8 4_654 4_654 4_654 no
N3 H1 C4 171.8 4_654 4_654 4_654 no
N3 H1 C6 99.4 4_654 4_654 4_654 no
N3 H1 C6 79.2 4_654 4_654 4_654 no
N3 H1 C6 79.2 4_654 4_654 4_654 no
N3 H1 H2 141.1 4_654 4_654 4_654 no
N3 H1 H2 79.7 4_654 4_654 4_654 no
N3 H1 H2 79.7 4_654 4_654 4_654 no
N3 H1 H3 80.3 4_654 4_654 4_654 no
N3 H1 H5 104.6 4_654 4_654 4_654 no
N3 H1 H5 91.7 4_654 4_654 4_654 no
N3 H1 H5 91.8 4_654 4_654 4_654 no
N3 H1 H6 84.1 4_654 4_654 4_654 no
N3 H1 H6 84.1 4_654 4_654 4_654 no
N3 H1 H6 76.2 4_654 4_654 4_654 no
N3 H1 H6 76.3 4_654 4_654 4_654 no
C1 H1 C2 74.6 . . . no
C1 H1 C2 104.7 . . . no
C1 H1 C2 104.7 . . . no
C1 H1 C3 60.2 . . . no
C1 H1 C3 113.1 . . . no
C1 H1 C3 113.1 . . . no
C1 H1 C4 38.4 . . . no
C1 H1 C6 110.8 . . . no
C1 H1 C6 83.1 . . . no
C1 H1 C6 83.1 . . . no
C1 H1 H2 69.1 . . . no
C1 H1 H2 102.9 . . . no
C1 H1 H2 102.9 . . . no
C1 H1 H3 69.5 . . . no
C1 H1 H5 105.6 . . . no
C1 H1 H5 74.0 . . . no
C1 H1 H5 74.0 . . . no
C1 H1 H6 124.7 . . . no
C1 H1 H6 124.7 . . . no
C1 H1 H6 80.7 . . . no
C1 H1 H6 80.7 . . . no
C2 H1 C2 123.1 . . . no
C2 H1 C2 123.1 . . . no
C2 H1 C3 14.4 . . . no
C2 H1 C3 105.7 . . . no
C2 H1 C3 105.7 . . . no
C2 H1 C4 36.2 . . . no
C2 H1 C6 36.1 . . . no
C2 H1 C6 121.8 . . . no
C2 H1 C6 121.8 . . . no
C2 H1 H2 5.6 . . . no
C2 H1 H2 91.9 . . . no
C2 H1 H2 91.9 . . . no
C2 H1 H3 144.1 . . . no
C2 H1 H5 31.0 . . . no
C2 H1 H5 109.0 . . . no
C2 H1 H5 109.0 . . . no
C2 H1 H6 53.4 . . . no
C2 H1 H6 53.3 . . . no
C2 H1 H6 132.9 . . . no
C2 H1 H6 132.9 . . . no
C2 H1 C2 112.2 4_654 4_654 4_654 no
C2 H1 C3 123.9 4_654 4_654 4_654 no
C2 H1 C3 20.7 4_654 4_654 4_654 no
C2 H1 C3 124.4 4_654 4_654 4_654 no
C2 H1 C4 120.5 4_654 4_654 4_654 no
C2 H1 C6 112.0 4_654 4_654 4_654 no
C2 H1 C6 22.1 4_654 4_654 4_654 no
C2 H1 C6 114.3 4_654 4_654 4_654 no
C2 H1 H2 123.7 4_654 4_654 4_654 no
C2 H1 H2 31.6 4_654 4_654 4_654 no
C2 H1 H2 140.0 4_654 4_654 4_654 no
C2 H1 H3 67.9 4_654 4_654 4_654 no
C2 H1 H5 114.2 4_654 4_654 4_654 no
C2 H1 H5 31.1 4_654 4_654 4_654 no
C2 H1 H5 125.8 4_654 4_654 4_654 no
C2 H1 H6 90.9 4_654 4_654 4_654 no
C2 H1 H6 117.9 4_654 4_654 4_654 no
C2 H1 H6 30.3 4_654 4_654 4_654 no
C2 H1 H6 101.5 4_654 4_654 4_654 no
C2 H1 C3 123.9 4_664 4_664 4_664 no
C2 H1 C3 124.4 4_664 4_664 4_664 no
C2 H1 C3 20.7 4_664 4_664 4_664 no
C2 H1 C4 120.5 4_664 4_664 4_664 no
C2 H1 C6 112.0 4_664 4_664 4_664 no
C2 H1 C6 114.3 4_664 4_664 4_664 no
C2 H1 C6 22.1 4_664 4_664 4_664 no
C2 H1 H2 123.7 4_664 4_664 4_664 no
C2 H1 H2 140.0 4_664 4_664 4_664 no
C2 H1 H2 31.6 4_664 4_664 4_664 no
C2 H1 H3 67.9 4_664 4_664 4_664 no
C2 H1 H5 114.2 4_664 4_664 4_664 no
C2 H1 H5 125.8 4_664 4_664 4_664 no
C2 H1 H5 31.1 4_664 4_664 4_664 no
C2 H1 H6 117.9 4_664 4_664 4_664 no
C2 H1 H6 90.9 4_664 4_664 4_664 no
C2 H1 H6 101.5 4_664 4_664 4_664 no
C2 H1 H6 30.2 4_664 4_664 4_664 no
C3 H1 C3 110.2 . . . no
C3 H1 C3 110.2 . . . no
C3 H1 C4 21.8 . . . no
C3 H1 C6 50.6 . . . no
C3 H1 C6 116.3 . . . no
C3 H1 C6 116.3 . . . no
C3 H1 H2 8.9 . . . no
C3 H1 H2 95.0 . . . no
C3 H1 H2 95.0 . . . no
C3 H1 H3 129.7 . . . no
C3 H1 H5 45.4 . . . no
C3 H1 H5 102.8 . . . no
C3 H1 H5 102.8 . . . no
C3 H1 H6 67.0 . . . no
C3 H1 H6 67.0 . . . no
C3 H1 H6 124.8 . . . no
C3 H1 H6 124.8 . . . no
C3 H1 C3 129.3 4_654 4_654 4_654 no
C3 H1 C4 114.5 4_654 4_654 4_654 no
C3 H1 C6 91.3 4_654 4_654 4_654 no
C3 H1 C6 38.6 4_654 4_654 4_654 no
C3 H1 C6 132.5 4_654 4_654 4_654 no
C3 H1 H2 107.6 4_654 4_654 4_654 no
C3 H1 H2 15.6 4_654 4_654 4_654 no
C3 H1 H2 142.9 4_654 4_654 4_654 no
C3 H1 H3 88.6 4_654 4_654 4_654 no
C3 H1 H5 93.5 4_654 4_654 4_654 no
C3 H1 H5 41.6 4_654 4_654 4_654 no
C3 H1 H5 145.1 4_654 4_654 4_654 no
C3 H1 H6 70.4 4_654 4_654 4_654 no
C3 H1 H6 99.0 4_654 4_654 4_654 no
C3 H1 H6 49.8 4_654 4_654 4_654 no
C3 H1 H6 120.8 4_654 4_654 4_654 no
C3 H1 C4 114.5 4_664 4_664 4_664 no
C3 H1 C6 91.3 4_664 4_664 4_664 no
C3 H1 C6 132.5 4_664 4_664 4_664 no
C3 H1 C6 38.6 4_664 4_664 4_664 no
C3 H1 H2 107.6 4_664 4_664 4_664 no
C3 H1 H2 142.9 4_664 4_664 4_664 no
C3 H1 H2 15.6 4_664 4_664 4_664 no
C3 H1 H3 88.6 4_664 4_664 4_664 no
C3 H1 H5 93.5 4_664 4_664 4_664 no
C3 H1 H5 145.1 4_664 4_664 4_664 no
C3 H1 H5 41.6 4_664 4_664 4_664 no
C3 H1 H6 99.1 4_664 4_664 4_664 no
C3 H1 H6 70.4 4_664 4_664 4_664 no
C3 H1 H6 120.8 4_664 4_664 4_664 no
C3 H1 H6 49.8 4_664 4_664 4_664 no
C4 H1 C6 72.4 . . . no
C4 H1 C6 105.4 . . . no
C4 H1 C6 105.4 . . . no
C4 H1 H2 30.7 . . . no
C4 H1 H2 99.1 . . . no
C4 H1 H2 99.1 . . . no
C4 H1 H3 107.9 . . . no
C4 H1 H5 67.2 . . . no
C4 H1 H5 92.3 . . . no
C4 H1 H5 92.3 . . . no
C4 H1 H6 88.0 . . . no
C4 H1 H6 88.0 . . . no
C4 H1 H6 109.8 . . . no
C4 H1 H6 109.8 . . . no
C6 H1 C6 125.7 . . . no
C6 H1 C6 125.7 . . . no
C6 H1 H2 41.7 . . . no
C6 H1 H2 84.0 . . . no
C6 H1 H2 84.0 . . . no
C6 H1 H3 179.7 . . . no
C6 H1 H5 5.1 . . . no
C6 H1 H5 119.0 . . . no
C6 H1 H5 119.0 . . . no
C6 H1 H6 22.0 . . . no
C6 H1 H6 22.0 . . . no
C6 H1 H6 139.4 . . . no
C6 H1 H6 139.4 . . . no
C6 H1 C6 107.5 4_654 4_654 4_654 no
C6 H1 H2 119.9 4_654 4_654 4_654 no
C6 H1 H2 42.0 4_654 4_654 4_654 no
C6 H1 H2 146.0 4_654 4_654 4_654 no
C6 H1 H3 54.2 4_654 4_654 4_654 no
C6 H1 H5 126.1 4_654 4_654 4_654 no
C6 H1 H5 13.5 4_654 4_654 4_654 no
C6 H1 H5 115.3 4_654 4_654 4_654 no
C6 H1 H6 107.3 4_654 4_654 4_654 no
C6 H1 H6 137.5 4_654 4_654 4_654 no
C6 H1 H6 13.9 4_654 4_654 4_654 no
C6 H1 H6 93.6 4_654 4_654 4_654 no
C6 H1 H2 119.8 4_664 4_664 4_664 no
C6 H1 H2 146.0 4_664 4_664 4_664 no
C6 H1 H2 42.0 4_664 4_664 4_664 no
C6 H1 H3 54.2 4_664 4_664 4_664 no
C6 H1 H5 126.2 4_664 4_664 4_664 no
C6 H1 H5 115.3 4_664 4_664 4_664 no
C6 H1 H5 13.5 4_664 4_664 4_664 no
C6 H1 H6 137.5 4_664 4_664 4_664 no
C6 H1 H6 107.3 4_664 4_664 4_664 no
C6 H1 H6 93.6 4_664 4_664 4_664 no
C6 H1 H6 13.9 4_664 4_664 4_664 no
H2 H1 H2 93.1 . . . no
H2 H1 H2 93.1 . . . no
H2 H1 H3 138.6 . . . no
H2 H1 H5 36.6 . . . no
H2 H1 H5 106.7 . . . no
H2 H1 H5 106.7 . . . no
H2 H1 H6 58.6 . . . no
H2 H1 H6 58.6 . . . no
H2 H1 H6 130.0 . . . no
H2 H1 H6 130.0 . . . no
H2 H1 H2 154.1 4_654 4_654 4_654 no
H2 H1 H3 96.0 4_654 4_654 4_654 no
H2 H1 H5 85.0 4_654 4_654 4_654 no
H2 H1 H5 39.4 4_654 4_654 4_654 no
H2 H1 H5 156.7 4_654 4_654 4_654 no
H2 H1 H6 65.6 4_654 4_654 4_654 no
H2 H1 H6 96.7 4_654 4_654 4_654 no
H2 H1 H6 55.4 4_654 4_654 4_654 no
H2 H1 H6 132.9 4_654 4_654 4_654 no
H2 H1 H3 95.9 4_664 4_664 4_664 no
H2 H1 H5 85.1 4_664 4_664 4_664 no
H2 H1 H5 156.7 4_664 4_664 4_664 no
H2 H1 H5 39.4 4_664 4_664 4_664 no
H2 H1 H6 96.8 4_664 4_664 4_664 no
H2 H1 H6 65.6 4_664 4_664 4_664 no
H2 H1 H6 132.9 4_664 4_664 4_664 no
H2 H1 H6 55.4 4_664 4_664 4_664 no
H3 H1 H5 175.1 1_554 1_554 1_554 no
H3 H1 H5 61.1 1_554 1_554 1_554 no
H3 H1 H5 61.1 1_554 1_554 1_554 no
H3 H1 H6 157.8 1_554 1_554 1_554 no
H3 H1 H6 157.8 1_554 1_554 1_554 no
H3 H1 H6 40.6 1_554 1_554 1_554 no
H3 H1 H6 40.6 1_554 1_554 1_554 no
H5 H1 H5 118.2 . . . no
H5 H1 H5 118.2 . . . no
H5 H1 H6 25.8 . . . no
H5 H1 H6 25.8 . . . no
H5 H1 H6 140.0 . . . no
H5 H1 H6 140.0 . . . no
H5 H1 H5 120.4 4_654 4_654 4_654 no
H5 H1 H6 104.0 4_654 4_654 4_654 no
H5 H1 H6 135.6 4_654 4_654 4_654 no
H5 H1 H6 24.4 4_654 4_654 4_654 no
H5 H1 H6 101.6 4_654 4_654 4_654 no
H5 H1 H6 135.6 4_664 4_664 4_664 no
H5 H1 H6 104.0 4_664 4_664 4_664 no
H5 H1 H6 101.6 4_664 4_664 4_664 no
H5 H1 H6 24.4 4_664 4_664 4_664 no
H6 H1 H6 31.6 . . . no
H6 H1 H6 120.0 . . . no
H6 H1 H6 148.1 . . . no
H6 H1 H6 148.1 7 7 7 no
H6 H1 H6 120.0 7 7 7 no
H6 H1 H6 79.7 4_654 4_654 4_654 no
O2 H2 O3 98.5 4_655 4_655 4_655 no
O2 H2 O3 98.5 4_655 4_655 4_655 no
O2 H2 O3 46.9 4_655 4_655 4_655 no
O2 H2 O4 123.4 4_655 4_655 4_655 no
O2 H2 O4 123.5 4_655 4_655 4_655 no
O2 H2 N1 159.8 4_655 4_655 4_655 no
O2 H2 N2 116.9 4_655 4_655 4_655 no
O2 H2 N2 64.7 4_655 4_655 4_655 no
O2 H2 N2 64.7 4_655 4_655 4_655 no
O2 H2 N3 117.2 4_655 4_655 4_655 no
O2 H2 N3 117.2 4_655 4_655 4_655 no
O2 H2 N3 23.2 4_655 4_655 4_655 no
O2 H2 C1 138.4 4_655 4_655 4_655 no
O2 H2 C2 102.5 4_655 4_655 4_655 no
O2 H2 C2 68.5 4_655 4_655 4_655 no
O2 H2 C2 68.5 4_655 4_655 4_655 no
O2 H2 C3 138.6 4_655 4_655 4_655 no
O2 H2 C4 174.7 4_655 4_655 4_655 no
O2 H2 C5 152.0 4_655 4_655 4_655 no
O2 H2 C6 68.7 4_655 4_655 4_655 no
O2 H2 C6 89.2 4_655 4_655 4_655 no
O2 H2 C6 89.2 4_655 4_655 4_655 no
O2 H2 H1 108.0 4_655 4_655 4_655 no
O2 H2 H1 77.3 4_655 4_655 4_655 no
O2 H2 H1 77.4 4_655 4_655 4_655 no
O2 H2 H3 131.2 4_655 4_655 4_655 no
O2 H2 H4 150.0 4_655 4_655 4_655 no
O2 H2 H4 150.0 4_655 4_655 4_655 no
O2 H2 H5 48.3 4_655 4_655 4_655 no
O2 H2 H6 71.8 4_655 4_655 4_655 no
O2 H2 H6 71.8 4_655 4_655 4_655 no
O2 H2 H6 98.9 4_655 4_655 4_655 no
O2 H2 H6 98.9 4_655 4_655 4_655 no
O3 H2 O3 124.1 . . . no
O3 H2 O3 115.2 . . . no
O3 H2 O4 33.8 . . . no
O3 H2 O4 130.0 . . . no
O3 H2 N1 73.0 . . . no
O3 H2 N2 62.4 . . . no
O3 H2 N2 46.5 . . . no
O3 H2 N2 154.1 . . . no
O3 H2 N3 19.1 . . . no
O3 H2 N3 120.8 . . . no
O3 H2 N3 108.1 . . . no
O3 H2 C1 66.1 . . . no
O3 H2 C2 62.2 . . . no
O3 H2 C2 61.2 . . . no
O3 H2 C2 167.0 . . . no
O3 H2 C3 66.1 . . . no
O3 H2 C4 79.1 . . . no
O3 H2 C5 94.5 . . . no
O3 H2 C6 68.9 . . . no
O3 H2 C6 62.8 . . . no
O3 H2 C6 168.2 . . . no
O3 H2 H1 62.1 . . . no
O3 H2 H1 31.8 . . . no
O3 H2 H1 150.7 . . . no
O3 H2 H3 103.7 . . . no
O3 H2 H4 82.1 . . . no
O3 H2 H4 105.9 . . . no
O3 H2 H5 76.5 . . . no
O3 H2 H6 57.3 . . . no
O3 H2 H6 78.9 . . . no
O3 H2 H6 62.5 . . . no
O3 H2 H6 160.0 . . . no
O3 H2 O3 115.2 1_565 1_565 1_565 no
O3 H2 O4 129.9 1_565 1_565 1_565 no
O3 H2 O4 33.8 1_565 1_565 1_565 no
O3 H2 N1 73.0 1_565 1_565 1_565 no
O3 H2 N2 62.4 1_565 1_565 1_565 no
O3 H2 N2 154.1 1_565 1_565 1_565 no
O3 H2 N2 46.5 1_565 1_565 1_565 no
O3 H2 N3 120.8 1_565 1_565 1_565 no
O3 H2 N3 19.1 1_565 1_565 1_565 no
O3 H2 N3 108.2 1_565 1_565 1_565 no
O3 H2 C1 66.1 1_565 1_565 1_565 no
O3 H2 C2 62.2 1_565 1_565 1_565 no
O3 H2 C2 167.0 1_565 1_565 1_565 no
O3 H2 C2 61.2 1_565 1_565 1_565 no
O3 H2 C3 66.1 1_565 1_565 1_565 no
O3 H2 C4 79.1 1_565 1_565 1_565 no
O3 H2 C5 94.4 1_565 1_565 1_565 no
O3 H2 C6 68.9 1_565 1_565 1_565 no
O3 H2 C6 168.2 1_565 1_565 1_565 no
O3 H2 C6 62.8 1_565 1_565 1_565 no
O3 H2 H1 62.1 1_565 1_565 1_565 no
O3 H2 H1 150.7 1_565 1_565 1_565 no
O3 H2 H1 31.8 1_565 1_565 1_565 no
O3 H2 H3 103.7 1_565 1_565 1_565 no
O3 H2 H4 105.9 1_565 1_565 1_565 no
O3 H2 H4 82.1 1_565 1_565 1_565 no
O3 H2 H5 76.5 1_565 1_565 1_565 no
O3 H2 H6 78.9 1_565 1_565 1_565 no
O3 H2 H6 57.3 1_565 1_565 1_565 no
O3 H2 H6 160.0 1_565 1_565 1_565 no
O3 H2 H6 62.5 1_565 1_565 1_565 no
O3 H2 O4 113.4 4_655 4_655 4_655 no
O3 H2 O4 113.4 4_655 4_655 4_655 no
O3 H2 N1 153.3 4_655 4_655 4_655 no
O3 H2 N2 163.8 4_655 4_655 4_655 no
O3 H2 N2 68.8 4_655 4_655 4_655 no
O3 H2 N2 68.8 4_655 4_655 4_655 no
O3 H2 N3 123.8 4_655 4_655 4_655 no
O3 H2 N3 123.8 4_655 4_655 4_655 no
O3 H2 N3 23.7 4_655 4_655 4_655 no
O3 H2 C1 174.7 4_655 4_655 4_655 no
O3 H2 C2 149.5 4_655 4_655 4_655 no
O3 H2 C2 55.5 4_655 4_655 4_655 no
O3 H2 C2 55.5 4_655 4_655 4_655 no
O3 H2 C3 174.5 4_655 4_655 4_655 no
O3 H2 C4 138.4 4_655 4_655 4_655 no
O3 H2 C5 105.1 4_655 4_655 4_655 no
O3 H2 C6 115.7 4_655 4_655 4_655 no
O3 H2 C6 64.2 4_655 4_655 4_655 no
O3 H2 C6 64.2 4_655 4_655 4_655 no
O3 H2 H1 154.9 4_655 4_655 4_655 no
O3 H2 H1 83.5 4_655 4_655 4_655 no
O3 H2 H1 83.5 4_655 4_655 4_655 no
O3 H2 H3 84.3 4_655 4_655 4_655 no
O3 H2 H4 105.6 4_655 4_655 4_655 no
O3 H2 H4 105.6 4_655 4_655 4_655 no
O3 H2 H5 95.2 4_655 4_655 4_655 no
O3 H2 H6 117.7 4_655 4_655 4_655 no
O3 H2 H6 117.7 4_655 4_655 4_655 no
O3 H2 H6 71.0 4_655 4_655 4_655 no
O3 H2 H6 71.1 4_655 4_655 4_655 no
O4 H2 O4 113.0 . . . no
O4 H2 N1 58.2 . . . no
O4 H2 N2 74.0 . . . no
O4 H2 N2 59.3 . . . no
O4 H2 N2 171.2 . . . no
O4 H2 N3 18.4 . . . no
O4 H2 N3 115.2 . . . no
O4 H2 N3 121.2 . . . no
O4 H2 C1 64.4 . . . no
O4 H2 C2 81.5 . . . no
O4 H2 C2 61.8 . . . no
O4 H2 C2 154.4 . . . no
O4 H2 C3 64.4 . . . no
O4 H2 C4 56.5 . . . no
O4 H2 C5 61.8 . . . no
O4 H2 C6 99.9 . . . no
O4 H2 C6 49.2 . . . no
O4 H2 C6 134.6 . . . no
O4 H2 H1 78.6 . . . no
O4 H2 H1 46.1 . . . no
O4 H2 H1 158.7 . . . no
O4 H2 H3 70.1 . . . no
O4 H2 H4 48.8 . . . no
O4 H2 H4 74.3 . . . no
O4 H2 H5 110.2 . . . no
O4 H2 H6 88.9 . . . no
O4 H2 H6 108.0 . . . no
O4 H2 H6 43.2 . . . no
O4 H2 H6 126.4 . . . no
O4 H2 N1 58.2 1_565 1_565 1_565 no
O4 H2 N2 74.0 1_565 1_565 1_565 no
O4 H2 N2 171.2 1_565 1_565 1_565 no
O4 H2 N2 59.3 1_565 1_565 1_565 no
O4 H2 N3 115.2 1_565 1_565 1_565 no
O4 H2 N3 18.4 1_565 1_565 1_565 no
O4 H2 N3 121.2 1_565 1_565 1_565 no
O4 H2 C1 64.4 1_565 1_565 1_565 no
O4 H2 C2 81.5 1_565 1_565 1_565 no
O4 H2 C2 154.4 1_565 1_565 1_565 no
O4 H2 C2 61.8 1_565 1_565 1_565 no
O4 H2 C3 64.3 1_565 1_565 1_565 no
O4 H2 C4 56.5 1_565 1_565 1_565 no
O4 H2 C5 61.7 1_565 1_565 1_565 no
O4 H2 C6 100.0 1_565 1_565 1_565 no
O4 H2 C6 134.6 1_565 1_565 1_565 no
O4 H2 C6 49.2 1_565 1_565 1_565 no
O4 H2 H1 78.6 1_565 1_565 1_565 no
O4 H2 H1 158.7 1_565 1_565 1_565 no
O4 H2 H1 46.1 1_565 1_565 1_565 no
O4 H2 H3 70.1 1_565 1_565 1_565 no
O4 H2 H4 74.3 1_565 1_565 1_565 no
O4 H2 H4 48.8 1_565 1_565 1_565 no
O4 H2 H5 110.2 1_565 1_565 1_565 no
O4 H2 H6 108.0 1_565 1_565 1_565 no
O4 H2 H6 88.9 1_565 1_565 1_565 no
O4 H2 H6 126.4 1_565 1_565 1_565 no
O4 H2 H6 43.2 1_565 1_565 1_565 no
N1 H2 N2 42.9 . . . no
N1 H2 N2 115.8 . . . no
N1 H2 N2 115.7 . . . no
N1 H2 N3 57.0 . . . no
N1 H2 N3 57.0 . . . no
N1 H2 N3 177.0 . . . no
N1 H2 C1 21.4 . . . no
N1 H2 C2 57.3 . . . no
N1 H2 C2 119.6 . . . no
N1 H2 C2 119.5 . . . no
N1 H2 C3 21.2 . . . no
N1 H2 C4 14.9 . . . no
N1 H2 C5 48.2 . . . no
N1 H2 C6 91.1 . . . no
N1 H2 C6 102.4 . . . no
N1 H2 C6 102.3 . . . no
N1 H2 H1 51.8 . . . no
N1 H2 H1 100.9 . . . no
N1 H2 H1 100.9 . . . no
N1 H2 H3 69.0 . . . no
N1 H2 H4 48.7 . . . no
N1 H2 H4 48.7 . . . no
N1 H2 H5 111.5 . . . no
N1 H2 H6 88.4 . . . no
N1 H2 H6 88.4 . . . no
N1 H2 H6 93.4 . . . no
N1 H2 H6 93.4 . . . no
N2 H2 N2 106.2 . . . no
N2 H2 N2 106.2 . . . no
N2 H2 N3 59.6 . . . no
N2 H2 N3 59.6 . . . no
N2 H2 N3 140.1 . . . no
N2 H2 C1 21.5 . . . no
N2 H2 C2 14.3 . . . no
N2 H2 C2 123.4 . . . no
N2 H2 C2 123.4 . . . no
N2 H2 C3 21.7 . . . no
N2 H2 C4 57.8 . . . no
N2 H2 C5 91.1 . . . no
N2 H2 C6 48.1 . . . no
N2 H2 C6 121.7 . . . no
N2 H2 C6 121.7 . . . no
N2 H2 H1 8.9 . . . no
N2 H2 H1 93.2 . . . no
N2 H2 H1 93.2 . . . no
N2 H2 H3 111.9 . . . no
N2 H2 H4 90.2 . . . no
N2 H2 H4 90.2 . . . no
N2 H2 H5 68.6 . . . no
N2 H2 H6 46.6 . . . no
N2 H2 H6 46.5 . . . no
N2 H2 H6 117.1 . . . no
N2 H2 H6 117.1 . . . no
N2 H2 N2 128.0 4_655 4_655 4_655 no
N2 H2 N3 59.1 4_655 4_655 4_655 no
N2 H2 N3 165.5 4_655 4_655 4_655 no
N2 H2 N3 64.5 4_655 4_655 4_655 no
N2 H2 C1 112.5 4_655 4_655 4_655 no
N2 H2 C2 100.7 4_655 4_655 4_655 no
N2 H2 C2 20.2 4_655 4_655 4_655 no
N2 H2 C2 122.9 4_655 4_655 4_655 no
N2 H2 C3 112.6 4_655 4_655 4_655 no
N2 H2 C4 115.8 4_655 4_655 4_655 no
N2 H2 C5 109.5 4_655 4_655 4_655 no
N2 H2 C6 86.2 4_655 4_655 4_655 no
N2 H2 C6 37.7 4_655 4_655 4_655 no
N2 H2 C6 132.0 4_655 4_655 4_655 no
N2 H2 H1 102.9 4_655 4_655 4_655 no
N2 H2 H1 15.2 4_655 4_655 4_655 no
N2 H2 H1 141.9 4_655 4_655 4_655 no
N2 H2 H3 102.1 4_655 4_655 4_655 no
N2 H2 H4 96.9 4_655 4_655 4_655 no
N2 H2 H4 122.5 4_655 4_655 4_655 no
N2 H2 H5 77.7 4_655 4_655 4_655 no
N2 H2 H6 77.2 4_655 4_655 4_655 no
N2 H2 H6 97.5 4_655 4_655 4_655 no
N2 H2 H6 45.3 4_655 4_655 4_655 no
N2 H2 H6 136.3 4_655 4_655 4_655 no
N2 H2 N3 165.5 4_665 4_665 4_665 no
N2 H2 N3 59.1 4_665 4_665 4_665 no
N2 H2 N3 64.5 4_665 4_665 4_665 no
N2 H2 C1 112.5 4_665 4_665 4_665 no
N2 H2 C2 100.7 4_665 4_665 4_665 no
N2 H2 C2 122.9 4_665 4_665 4_665 no
N2 H2 C2 20.2 4_665 4_665 4_665 no
N2 H2 C3 112.6 4_665 4_665 4_665 no
N2 H2 C4 115.8 4_665 4_665 4_665 no
N2 H2 C5 109.5 4_665 4_665 4_665 no
N2 H2 C6 86.2 4_665 4_665 4_665 no
N2 H2 C6 132.0 4_665 4_665 4_665 no
N2 H2 C6 37.7 4_665 4_665 4_665 no
N2 H2 H1 102.9 4_665 4_665 4_665 no
N2 H2 H1 141.9 4_665 4_665 4_665 no
N2 H2 H1 15.2 4_665 4_665 4_665 no
N2 H2 H3 102.1 4_665 4_665 4_665 no
N2 H2 H4 122.5 4_665 4_665 4_665 no
N2 H2 H4 96.8 4_665 4_665 4_665 no
N2 H2 H5 77.7 4_665 4_665 4_665 no
N2 H2 H6 97.6 4_665 4_665 4_665 no
N2 H2 H6 77.2 4_665 4_665 4_665 no
N2 H2 H6 136.3 4_665 4_665 4_665 no
N2 H2 H6 45.3 4_665 4_665 4_665 no
N3 H2 N3 111.0 . . . no
N3 H2 N3 123.5 . . . no
N3 H2 C1 55.7 . . . no
N3 H2 C2 64.7 . . . no
N3 H2 C2 68.5 . . . no
N3 H2 C2 172.4 . . . no
N3 H2 C3 55.6 . . . no
N3 H2 C4 60.9 . . . no
N3 H2 C5 75.8 . . . no
N3 H2 C6 81.5 . . . no
N3 H2 C6 62.1 . . . no
N3 H2 C6 150.6 . . . no
N3 H2 H1 62.6 . . . no
N3 H2 H1 44.0 . . . no
N3 H2 H1 152.4 . . . no
N3 H2 H3 87.2 . . . no
N3 H2 H4 64.0 . . . no
N3 H2 H4 86.8 . . . no
N3 H2 H5 93.0 . . . no
N3 H2 H6 70.7 . . . no
N3 H2 H6 89.6 . . . no
N3 H2 H6 58.2 . . . no
N3 H2 H6 141.3 . . . no
N3 H2 N3 123.5 1_565 1_565 1_565 no
N3 H2 C1 55.7 1_565 1_565 1_565 no
N3 H2 C2 64.8 1_565 1_565 1_565 no
N3 H2 C2 172.4 1_565 1_565 1_565 no
N3 H2 C2 68.5 1_565 1_565 1_565 no
N3 H2 C3 55.6 1_565 1_565 1_565 no
N3 H2 C4 60.9 1_565 1_565 1_565 no
N3 H2 C5 75.7 1_565 1_565 1_565 no
N3 H2 C6 81.6 1_565 1_565 1_565 no
N3 H2 C6 150.6 1_565 1_565 1_565 no
N3 H2 C6 62.1 1_565 1_565 1_565 no
N3 H2 H1 62.6 1_565 1_565 1_565 no
N3 H2 H1 152.4 1_565 1_565 1_565 no
N3 H2 H1 44.0 1_565 1_565 1_565 no
N3 H2 H3 87.2 1_565 1_565 1_565 no
N3 H2 H4 86.8 1_565 1_565 1_565 no
N3 H2 H4 63.9 1_565 1_565 1_565 no
N3 H2 H5 93.1 1_565 1_565 1_565 no
N3 H2 H6 89.6 1_565 1_565 1_565 no
N3 H2 H6 70.7 1_565 1_565 1_565 no
N3 H2 H6 141.3 1_565 1_565 1_565 no
N3 H2 H6 58.2 1_565 1_565 1_565 no
N3 H2 C1 161.6 4_655 4_655 4_655 no
N3 H2 C2 125.8 4_655 4_655 4_655 no
N3 H2 C2 59.5 4_655 4_655 4_655 no
N3 H2 C2 59.5 4_655 4_655 4_655 no
N3 H2 C3 161.8 4_655 4_655 4_655 no
N3 H2 C4 162.1 4_655 4_655 4_655 no
N3 H2 C5 128.8 4_655 4_655 4_655 no
N3 H2 C6 92.0 4_655 4_655 4_655 no
N3 H2 C6 76.0 4_655 4_655 4_655 no
N3 H2 C6 76.0 4_655 4_655 4_655 no
N3 H2 H1 131.2 4_655 4_655 4_655 no
N3 H2 H1 79.5 4_655 4_655 4_655 no
N3 H2 H1 79.5 4_655 4_655 4_655 no
N3 H2 H3 107.9 4_655 4_655 4_655 no
N3 H2 H4 128.4 4_655 4_655 4_655 no
N3 H2 H4 128.4 4_655 4_655 4_655 no
N3 H2 H5 71.5 4_655 4_655 4_655 no
N3 H2 H6 94.6 4_655 4_655 4_655 no
N3 H2 H6 94.6 4_655 4_655 4_655 no
N3 H2 H6 84.8 4_655 4_655 4_655 no
N3 H2 H6 84.8 4_655 4_655 4_655 no
C1 H2 C2 35.8 . . . no
C1 H2 C2 124.1 . . . no
C1 H2 C2 124.1 . . . no
C1 H2 C3 0.2 . . . no
C1 H2 C4 36.3 . . . no
C1 H2 C5 69.6 . . . no
C1 H2 C6 69.7 . . . no
C1 H2 C6 113.4 . . . no
C1 H2 C6 113.4 . . . no
C1 H2 H1 30.4 . . . no
C1 H2 H1 97.5 . . . no
C1 H2 H1 97.5 . . . no
C1 H2 H3 90.4 . . . no
C1 H2 H4 69.3 . . . no
C1 H2 H4 69.3 . . . no
C1 H2 H5 90.1 . . . no
C1 H2 H6 67.4 . . . no
C1 H2 H6 67.4 . . . no
C1 H2 H6 106.0 . . . no
C1 H2 H6 106.0 . . . no
C2 H2 C2 120.1 . . . no
C2 H2 C2 120.1 . . . no
C2 H2 C3 36.1 . . . no
C2 H2 C4 72.1 . . . no
C2 H2 C5 105.4 . . . no
C2 H2 C6 33.8 . . . no
C2 H2 C6 124.9 . . . no
C2 H2 C6 124.9 . . . no
C2 H2 H1 5.4 . . . no
C2 H2 H1 90.0 . . . no
C2 H2 H1 90.0 . . . no
C2 H2 H3 126.3 . . . no
C2 H2 H4 104.1 . . . no
C2 H2 H4 104.1 . . . no
C2 H2 H5 54.2 . . . no
C2 H2 H6 32.9 . . . no
C2 H2 H6 32.9 . . . no
C2 H2 H6 122.8 . . . no
C2 H2 H6 122.8 . . . no
C2 H2 C2 111.0 4_655 4_655 4_655 no
C2 H2 C3 124.1 4_655 4_655 4_655 no
C2 H2 C4 113.9 4_655 4_655 4_655 no
C2 H2 C5 97.0 4_655 4_655 4_655 no
C2 H2 C6 105.6 4_655 4_655 4_655 no
C2 H2 C6 22.1 4_655 4_655 4_655 no
C2 H2 C6 114.4 4_655 4_655 4_655 no
C2 H2 H1 121.6 4_655 4_655 4_655 no
C2 H2 H1 30.4 4_655 4_655 4_655 no
C2 H2 H1 138.1 4_655 4_655 4_655 no
C2 H2 H3 85.2 4_655 4_655 4_655 no
C2 H2 H4 86.3 4_655 4_655 4_655 no
C2 H2 H4 108.6 4_655 4_655 4_655 no
C2 H2 H5 94.5 4_655 4_655 4_655 no
C2 H2 H6 97.2 4_655 4_655 4_655 no
C2 H2 H6 116.7 4_655 4_655 4_655 no
C2 H2 H6 31.6 4_655 4_655 4_655 no
C2 H2 H6 117.1 4_655 4_655 4_655 no
C2 H2 C3 124.1 4_665 4_665 4_665 no
C2 H2 C4 113.9 4_665 4_665 4_665 no
C2 H2 C5 96.9 4_665 4_665 4_665 no
C2 H2 C6 105.7 4_665 4_665 4_665 no
C2 H2 C6 114.4 4_665 4_665 4_665 no
C2 H2 C6 22.1 4_665 4_665 4_665 no
C2 H2 H1 121.6 4_665 4_665 4_665 no
C2 H2 H1 138.1 4_665 4_665 4_665 no
C2 H2 H1 30.4 4_665 4_665 4_665 no
C2 H2 H3 85.2 4_665 4_665 4_665 no
C2 H2 H4 108.5 4_665 4_665 4_665 no
C2 H2 H4 86.2 4_665 4_665 4_665 no
C2 H2 H5 94.5 4_665 4_665 4_665 no
C2 H2 H6 116.7 4_665 4_665 4_665 no
C2 H2 H6 97.2 4_665 4_665 4_665 no
C2 H2 H6 117.1 4_665 4_665 4_665 no
C2 H2 H6 31.6 4_665 4_665 4_665 no
C3 H2 C4 36.1 . . . no
C3 H2 C5 69.4 . . . no
C3 H2 C6 69.9 . . . no
C3 H2 C6 113.3 . . . no
C3 H2 C6 113.3 . . . no
C3 H2 H1 30.6 . . . no
C3 H2 H1 97.6 . . . no
C3 H2 H1 97.6 . . . no
C3 H2 H3 90.2 . . . no
C3 H2 H4 69.0 . . . no
C3 H2 H4 69.0 . . . no
C3 H2 H5 90.3 . . . no
C3 H2 H6 67.7 . . . no
C3 H2 H6 67.7 . . . no
C3 H2 H6 105.9 . . . no
C3 H2 H6 105.9 . . . no
C4 H2 C5 33.3 . . . no
C4 H2 C6 105.9 . . . no
C4 H2 C6 93.9 . . . no
C4 H2 C6 93.9 . . . no
C4 H2 H1 66.7 . . . no
C4 H2 H1 102.3 . . . no
C4 H2 H1 102.3 . . . no
C4 H2 H3 54.2 . . . no
C4 H2 H4 34.8 . . . no
C4 H2 H4 34.8 . . . no
C4 H2 H5 126.4 . . . no
C4 H2 H6 103.0 . . . no
C4 H2 H6 103.0 . . . no
C4 H2 H6 84.3 . . . no
C4 H2 H6 84.3 . . . no
C5 H2 C6 139.2 . . . no
C5 H2 C6 74.9 . . . no
C5 H2 C6 74.8 . . . no
C5 H2 H1 100.0 . . . no
C5 H2 H1 102.5 . . . no
C5 H2 H1 102.5 . . . no
C5 H2 H3 20.9 . . . no
C5 H2 H4 13.5 . . . no
C5 H2 H4 13.5 . . . no
C5 H2 H5 159.7 . . . no
C5 H2 H6 135.4 . . . no
C5 H2 H6 135.4 . . . no
C5 H2 H6 65.7 . . . no
C5 H2 H6 65.6 . . . no
C6 H2 C6 122.5 . . . no
C6 H2 C6 122.6 . . . no
C6 H2 H1 39.2 . . . no
C6 H2 H1 82.8 . . . no
C6 H2 H1 82.8 . . . no
C6 H2 H3 160.1 . . . no
C6 H2 H4 136.6 . . . no
C6 H2 H4 136.6 . . . no
C6 H2 H5 20.4 . . . no
C6 H2 H6 11.6 . . . no
C6 H2 H6 11.6 . . . no
C6 H2 H6 127.2 . . . no
C6 H2 H6 127.2 . . . no
C6 H2 C6 108.7 4_655 4_655 4_655 no
C6 H2 H1 123.9 4_655 4_655 4_655 no
C6 H2 H1 40.0 4_655 4_655 4_655 no
C6 H2 H1 144.8 4_655 4_655 4_655 no
C6 H2 H3 64.6 4_655 4_655 4_655 no
C6 H2 H4 64.2 4_655 4_655 4_655 no
C6 H2 H4 86.8 4_655 4_655 4_655 no
C6 H2 H5 115.2 4_655 4_655 4_655 no
C6 H2 H6 112.2 4_655 4_655 4_655 no
C6 H2 H6 134.2 4_655 4_655 4_655 no
C6 H2 H6 9.7 4_655 4_655 4_655 no
C6 H2 H6 107.7 4_655 4_655 4_655 no
C6 H2 H1 123.9 4_665 4_665 4_665 no
C6 H2 H1 144.8 4_665 4_665 4_665 no
C6 H2 H1 40.0 4_665 4_665 4_665 no
C6 H2 H3 64.5 4_665 4_665 4_665 no
C6 H2 H4 86.7 4_665 4_665 4_665 no
C6 H2 H4 64.2 4_665 4_665 4_665 no
C6 H2 H5 115.2 4_665 4_665 4_665 no
C6 H2 H6 134.2 4_665 4_665 4_665 no
C6 H2 H6 112.2 4_665 4_665 4_665 no
C6 H2 H6 107.7 4_665 4_665 4_665 no
C6 H2 H6 9.7 4_665 4_665 4_665 no
H1 H2 H1 91.2 . . . no
H1 H2 H1 91.2 . . . no
H1 H2 H3 120.9 . . . no
H1 H2 H4 98.8 . . . no
H1 H2 H4 98.8 . . . no
H1 H2 H5 59.7 . . . no
H1 H2 H6 38.0 . . . no
H1 H2 H6 38.0 . . . no
H1 H2 H6 120.8 . . . no
H1 H2 H6 120.8 . . . no
H1 H2 H1 154.1 4_655 4_655 4_655 no
H1 H2 H3 100.4 4_655 4_655 4_655 no
H1 H2 H4 89.1 4_655 4_655 4_655 no
H1 H2 H4 116.0 4_655 4_655 4_655 no
H1 H2 H5 79.5 4_655 4_655 4_655 no
H1 H2 H6 72.2 4_655 4_655 4_655 no
H1 H2 H6 94.4 4_655 4_655 4_655 no
H1 H2 H6 44.7 4_655 4_655 4_655 no
H1 H2 H6 146.7 4_655 4_655 4_655 no
H1 H2 H3 100.4 4_665 4_665 4_665 no
H1 H2 H4 116.0 4_665 4_665 4_665 no
H1 H2 H4 89.1 4_665 4_665 4_665 no
H1 H2 H5 79.5 4_665 4_665 4_665 no
H1 H2 H6 94.5 4_665 4_665 4_665 no
H1 H2 H6 72.2 4_665 4_665 4_665 no
H1 H2 H6 146.7 4_665 4_665 4_665 no
H1 H2 H6 44.7 4_665 4_665 4_665 no
H3 H2 H4 25.4 . . . no
H3 H2 H4 25.4 . . . no
H3 H2 H5 179.5 . . . no
H3 H2 H6 154.9 . . . no
H3 H2 H6 154.8 . . . no
H3 H2 H6 57.0 . . . no
H3 H2 H6 57.0 . . . no
H4 H2 H4 26.9 . . . no
H4 H2 H5 155.0 . . . no
H4 H2 H6 129.5 . . . no
H4 H2 H6 136.7 . . . no
H4 H2 H6 54.7 . . . no
H4 H2 H6 77.9 . . . no
H4 H2 H5 155.0 7 7 7 no
H4 H2 H6 136.7 7 7 7 no
H4 H2 H6 129.5 7 7 7 no
H4 H2 H6 77.9 7 7 7 no
H4 H2 H6 54.6 7 7 7 no
H5 H2 H6 25.6 . . . no
H5 H2 H6 25.6 . . . no
H5 H2 H6 122.8 . . . no
H5 H2 H6 122.8 . . . no
H6 H2 H6 22.7 . . . no
H6 H2 H6 116.1 . . . no
H6 H2 H6 138.7 . . . no
H6 H2 H6 138.7 7 7 7 no
H6 H2 H6 116.1 7 7 7 no
H6 H2 H6 105.0 4_655 4_655 4_655 no
CL1 H3 CL1 106.3 3_647 3_647 3_647 no
CL1 H3 O1 73.2 3_647 3_647 3_647 no
CL1 H3 O3 112.0 3_647 3_647 3_647 no
CL1 H3 O4 59.2 3_647 3_647 3_647 no
CL1 H3 O4 148.4 3_647 3_647 3_647 no
CL1 H3 N1 103.1 3_647 3_647 3_647 no
CL1 H3 C1 77.8 3_647 3_647 3_647 no
CL1 H3 C2 123.2 3_647 3_647 3_647 no
CL1 H3 C3 123.9 3_647 3_647 3_647 no
CL1 H3 C4 110.4 3_647 3_647 3_647 no
CL1 H3 C5 84.9 3_647 3_647 3_647 no
CL1 H3 C6 52.9 3_647 3_647 3_647 no
CL1 H3 C6 144.4 3_647 3_647 3_647 no
CL1 H3 C7 90.2 3_647 3_647 3_647 no
CL1 H3 H1 95.9 3_647 3_647 3_647 no
CL1 H3 H2 126.8 3_647 3_647 3_647 no
CL1 H3 H4 50.3 3_647 3_647 3_647 no
CL1 H3 H4 98.6 3_647 3_647 3_647 no
CL1 H3 H5 48.4 3_647 3_647 3_647 no
CL1 H3 H5 130.6 3_647 3_647 3_647 no
CL1 H3 H6 47.0 3_647 3_647 3_647 no
CL1 H3 H6 52.6 3_647 3_647 3_647 no
CL1 H3 H6 150.3 3_647 3_647 3_647 no
CL1 H3 H6 149.4 3_647 3_647 3_647 no
CL1 H3 O1 73.2 3_657 3_657 3_657 no
CL1 H3 O3 112.0 3_657 3_657 3_657 no
CL1 H3 O4 148.4 3_657 3_657 3_657 no
CL1 H3 O4 59.2 3_657 3_657 3_657 no
CL1 H3 N1 103.1 3_657 3_657 3_657 no
CL1 H3 C1 77.8 3_657 3_657 3_657 no
CL1 H3 C2 123.3 3_657 3_657 3_657 no
CL1 H3 C3 123.9 3_657 3_657 3_657 no
CL1 H3 C4 110.4 3_657 3_657 3_657 no
CL1 H3 C5 84.9 3_657 3_657 3_657 no
CL1 H3 C6 144.4 3_657 3_657 3_657 no
CL1 H3 C6 52.9 3_657 3_657 3_657 no
CL1 H3 C7 90.1 3_657 3_657 3_657 no
CL1 H3 H1 95.9 3_657 3_657 3_657 no
CL1 H3 H2 126.9 3_657 3_657 3_657 no
CL1 H3 H4 98.6 3_657 3_657 3_657 no
CL1 H3 H4 50.3 3_657 3_657 3_657 no
CL1 H3 H5 130.6 3_657 3_657 3_657 no
CL1 H3 H5 48.4 3_657 3_657 3_657 no
CL1 H3 H6 149.5 3_657 3_657 3_657 no
CL1 H3 H6 150.3 3_657 3_657 3_657 no
CL1 H3 H6 52.6 3_657 3_657 3_657 no
CL1 H3 H6 47.0 3_657 3_657 3_657 no
O1 H3 O3 67.5 1_556 1_556 1_556 no
O1 H3 O4 121.4 1_556 1_556 1_556 no
O1 H3 O4 121.4 1_556 1_556 1_556 no
O1 H3 N1 173.3 1_556 1_556 1_556 no
O1 H3 C1 8.2 1_556 1_556 1_556 no
O1 H3 C2 142.8 1_556 1_556 1_556 no
O1 H3 C3 140.4 1_556 1_556 1_556 no
O1 H3 C4 173.4 1_556 1_556 1_556 no
O1 H3 C5 142.6 1_556 1_556 1_556 no
O1 H3 C6 73.0 1_556 1_556 1_556 no
O1 H3 C6 73.0 1_556 1_556 1_556 no
O1 H3 C7 151.4 1_556 1_556 1_556 no
O1 H3 H1 38.7 1_556 1_556 1_556 no
O1 H3 H2 118.1 1_556 1_556 1_556 no
O1 H3 H4 118.5 1_556 1_556 1_556 no
O1 H3 H4 118.5 1_556 1_556 1_556 no
O1 H3 H5 59.8 1_556 1_556 1_556 no
O1 H3 H5 59.7 1_556 1_556 1_556 no
O1 H3 H6 83.2 1_556 1_556 1_556 no
O1 H3 H6 80.0 1_556 1_556 1_556 no
O1 H3 H6 80.0 1_556 1_556 1_556 no
O1 H3 H6 83.2 1_556 1_556 1_556 no
O3 H3 O4 99.6 4_655 4_655 4_655 no
O3 H3 O4 99.7 4_655 4_655 4_655 no
O3 H3 N1 119.2 4_655 4_655 4_655 no
O3 H3 C1 59.2 4_655 4_655 4_655 no
O3 H3 C2 75.3 4_655 4_655 4_655 no
O3 H3 C3 72.9 4_655 4_655 4_655 no
O3 H3 C4 105.9 4_655 4_655 4_655 no
O3 H3 C5 149.9 4_655 4_655 4_655 no
O3 H3 C6 63.5 4_655 4_655 4_655 no
O3 H3 C6 63.5 4_655 4_655 4_655 no
O3 H3 C7 141.1 4_655 4_655 4_655 no
O3 H3 H1 28.8 4_655 4_655 4_655 no
O3 H3 H2 50.6 4_655 4_655 4_655 no
O3 H3 H4 148.8 4_655 4_655 4_655 no
O3 H3 H4 148.8 4_655 4_655 4_655 no
O3 H3 H5 64.0 4_655 4_655 4_655 no
O3 H3 H5 64.0 4_655 4_655 4_655 no
O3 H3 H6 74.7 4_655 4_655 4_655 no
O3 H3 H6 67.3 4_655 4_655 4_655 no
O3 H3 H6 67.4 4_655 4_655 4_655 no
O3 H3 H6 74.8 4_655 4_655 4_655 no
O4 H3 O4 117.0 . . . no
O4 H3 N1 59.1 . . . no
O4 H3 C1 120.7 . . . no
O4 H3 C2 64.1 . . . no
O4 H3 C3 64.9 . . . no
O4 H3 C4 58.5 . . . no
O4 H3 C5 66.9 . . . no
O4 H3 C6 52.1 . . . no
O4 H3 C6 153.5 . . . no
O4 H3 C7 63.8 . . . no
O4 H3 H1 112.7 . . . no
O4 H3 H2 73.9 . . . no
O4 H3 H4 50.0 . . . no
O4 H3 H4 101.3 . . . no
O4 H3 H5 63.4 . . . no
O4 H3 H5 162.6 . . . no
O4 H3 H6 39.8 . . . no
O4 H3 H6 45.0 . . . no
O4 H3 H6 149.9 . . . no
O4 H3 H6 151.2 . . . no
O4 H3 N1 59.1 1_565 1_565 1_565 no
O4 H3 C1 120.8 1_565 1_565 1_565 no
O4 H3 C2 64.1 1_565 1_565 1_565 no
O4 H3 C3 64.9 1_565 1_565 1_565 no
O4 H3 C4 58.5 1_565 1_565 1_565 no
O4 H3 C5 66.8 1_565 1_565 1_565 no
O4 H3 C6 153.5 1_565 1_565 1_565 no
O4 H3 C6 52.1 1_565 1_565 1_565 no
O4 H3 C7 63.8 1_565 1_565 1_565 no
O4 H3 H1 112.7 1_565 1_565 1_565 no
O4 H3 H2 74.0 1_565 1_565 1_565 no
O4 H3 H4 101.3 1_565 1_565 1_565 no
O4 H3 H4 50.0 1_565 1_565 1_565 no
O4 H3 H5 162.6 1_565 1_565 1_565 no
O4 H3 H5 63.5 1_565 1_565 1_565 no
O4 H3 H6 151.2 1_565 1_565 1_565 no
O4 H3 H6 149.9 1_565 1_565 1_565 no
O4 H3 H6 45.0 1_565 1_565 1_565 no
O4 H3 H6 39.8 1_565 1_565 1_565 no
N1 H3 C1 178.4 . . . no
N1 H3 C2 43.8 . . . no
N1 H3 C3 46.3 . . . no
N1 H3 C4 13.3 . . . no
N1 H3 C5 30.7 . . . no
N1 H3 C6 109.4 . . . no
N1 H3 C6 109.4 . . . no
N1 H3 C7 22.0 . . . no
N1 H3 H1 148.0 . . . no
N1 H3 H2 68.6 . . . no
N1 H3 H4 56.1 . . . no
N1 H3 H4 56.1 . . . no
N1 H3 H5 122.1 . . . no
N1 H3 H5 122.1 . . . no
N1 H3 H6 98.4 . . . no
N1 H3 H6 102.3 . . . no
N1 H3 H6 102.3 . . . no
N1 H3 H6 98.4 . . . no
C1 H3 C2 134.6 1_556 1_556 1_556 no
C1 H3 C3 132.1 1_556 1_556 1_556 no
C1 H3 C4 165.1 1_556 1_556 1_556 no
C1 H3 C5 150.8 1_556 1_556 1_556 no
C1 H3 C6 70.0 1_556 1_556 1_556 no
C1 H3 C6 70.0 1_556 1_556 1_556 no
C1 H3 C7 159.6 1_556 1_556 1_556 no
C1 H3 H1 30.5 1_556 1_556 1_556 no
C1 H3 H2 109.9 1_556 1_556 1_556 no
C1 H3 H4 125.2 1_556 1_556 1_556 no
C1 H3 H4 125.2 1_556 1_556 1_556 no
C1 H3 H5 57.5 1_556 1_556 1_556 no
C1 H3 H5 57.5 1_556 1_556 1_556 no
C1 H3 H6 81.3 1_556 1_556 1_556 no
C1 H3 H6 77.2 1_556 1_556 1_556 no
C1 H3 H6 77.2 1_556 1_556 1_556 no
C1 H3 H6 81.3 1_556 1_556 1_556 no
C2 H3 C3 2.4 . . . no
C2 H3 C4 30.5 . . . no
C2 H3 C5 74.6 . . . no
C2 H3 C6 90.8 . . . no
C2 H3 C6 90.9 . . . no
C2 H3 C7 65.8 . . . no
C2 H3 H1 104.1 . . . no
C2 H3 H2 24.7 . . . no
C2 H3 H4 93.5 . . . no
C2 H3 H4 93.5 . . . no
C2 H3 H5 103.9 . . . no
C2 H3 H5 103.9 . . . no
C2 H3 H6 87.2 . . . no
C2 H3 H6 86.0 . . . no
C2 H3 H6 86.0 . . . no
C2 H3 H6 87.3 . . . no
C3 H3 C4 33.0 . . . no
C3 H3 C5 77.0 . . . no
C3 H3 C6 89.7 . . . no
C3 H3 C6 89.7 . . . no
C3 H3 C7 68.3 . . . no
C3 H3 H1 101.7 . . . no
C3 H3 H2 22.3 . . . no
C3 H3 H4 95.6 . . . no
C3 H3 H4 95.6 . . . no
C3 H3 H5 102.6 . . . no
C3 H3 H5 102.6 . . . no
C3 H3 H6 86.6 . . . no
C3 H3 H6 85.1 . . . no
C3 H3 H6 85.1 . . . no
C3 H3 H6 86.6 . . . no
C4 H3 C5 44.1 . . . no
C4 H3 C6 104.4 . . . no
C4 H3 C6 104.4 . . . no
C4 H3 C7 35.3 . . . no
C4 H3 H1 134.7 . . . no
C4 H3 H2 55.2 . . . no
C4 H3 H4 67.1 . . . no
C4 H3 H4 67.1 . . . no
C4 H3 H5 118.0 . . . no
C4 H3 H5 118.0 . . . no
C4 H3 H6 95.2 . . . no
C4 H3 H6 97.6 . . . no
C4 H3 H6 97.6 . . . no
C4 H3 H6 95.2 . . . no
C5 H3 C6 116.9 . . . no
C5 H3 C6 116.9 . . . no
C5 H3 C7 8.8 . . . no
C5 H3 H1 178.7 . . . no
C5 H3 H2 99.3 . . . no
C5 H3 H4 34.8 . . . no
C5 H3 H4 34.8 . . . no
C5 H3 H5 124.2 . . . no
C5 H3 H5 124.2 . . . no
C5 H3 H6 103.8 . . . no
C5 H3 H6 110.4 . . . no
C5 H3 H6 110.3 . . . no
C5 H3 H6 103.7 . . . no
C6 H3 C6 124.5 4_655 4_655 4_655 no
C6 H3 C7 115.5 4_655 4_655 4_655 no
C6 H3 H1 62.9 4_655 4_655 4_655 no
C6 H3 H2 79.6 4_655 4_655 4_655 no
C6 H3 H4 88.1 4_655 4_655 4_655 no
C6 H3 H4 147.0 4_655 4_655 4_655 no
C6 H3 H5 13.8 4_655 4_655 4_655 no
C6 H3 H5 118.9 4_655 4_655 4_655 no
C6 H3 H6 13.2 4_655 4_655 4_655 no
C6 H3 H6 7.2 4_655 4_655 4_655 no
C6 H3 H6 129.8 4_655 4_655 4_655 no
C6 H3 H6 137.2 4_655 4_655 4_655 no
C6 H3 C7 115.5 4_665 4_665 4_665 no
C6 H3 H1 63.0 4_665 4_665 4_665 no
C6 H3 H2 79.6 4_665 4_665 4_665 no
C6 H3 H4 147.0 4_665 4_665 4_665 no
C6 H3 H4 88.1 4_665 4_665 4_665 no
C6 H3 H5 118.9 4_665 4_665 4_665 no
C6 H3 H5 13.8 4_665 4_665 4_665 no
C6 H3 H6 137.2 4_665 4_665 4_665 no
C6 H3 H6 129.8 4_665 4_665 4_665 no
C6 H3 H6 7.2 4_665 4_665 4_665 no
C6 H3 H6 13.2 4_665 4_665 4_665 no
C7 H3 H1 169.9 . . . no
C7 H3 H2 90.5 . . . no
C7 H3 H4 39.9 . . . no
C7 H3 H4 39.9 . . . no
C7 H3 H5 124.7 . . . no
C7 H3 H5 124.7 . . . no
C7 H3 H6 102.6 . . . no
C7 H3 H6 108.5 . . . no
C7 H3 H6 108.5 . . . no
C7 H3 H6 102.5 . . . no
H1 H3 H2 79.4 1_556 1_556 1_556 no
H1 H3 H4 145.8 1_556 1_556 1_556 no
H1 H3 H4 145.8 1_556 1_556 1_556 no
H1 H3 H5 56.0 1_556 1_556 1_556 no
H1 H3 H5 56.0 1_556 1_556 1_556 no
H1 H3 H6 76.1 1_556 1_556 1_556 no
H1 H3 H6 69.4 1_556 1_556 1_556 no
H1 H3 H6 69.4 1_556 1_556 1_556 no
H1 H3 H6 76.1 1_556 1_556 1_556 no
H2 H3 H4 114.7 . . . no
H2 H3 H4 114.7 . . . no
H2 H3 H5 90.1 . . . no
H2 H3 H5 90.2 . . . no
H2 H3 H6 81.2 . . . no
H2 H3 H6 77.1 . . . no
H2 H3 H6 77.2 . . . no
H2 H3 H6 81.3 . . . no
H4 H3 H4 59.0 . . . no
H4 H3 H5 91.7 . . . no
H4 H3 H5 147.0 . . . no
H4 H3 H6 75.7 . . . no
H4 H3 H6 83.1 . . . no
H4 H3 H6 142.0 . . . no
H4 H3 H6 134.7 . . . no
H4 H3 H5 147.0 7 7 7 no
H4 H3 H5 91.7 7 7 7 no
H4 H3 H6 134.7 7 7 7 no
H4 H3 H6 142.0 7 7 7 no
H4 H3 H6 83.1 7 7 7 no
H4 H3 H6 75.7 7 7 7 no
H5 H3 H5 110.5 4_655 4_655 4_655 no
H5 H3 H6 23.8 4_655 4_655 4_655 no
H5 H3 H6 20.4 4_655 4_655 4_655 no
H5 H3 H6 125.4 4_655 4_655 4_655 no
H5 H3 H6 132.1 4_655 4_655 4_655 no
H5 H3 H6 132.1 4_665 4_665 4_665 no
H5 H3 H6 125.4 4_665 4_665 4_665 no
H5 H3 H6 20.4 4_665 4_665 4_665 no
H5 H3 H6 23.8 4_665 4_665 4_665 no
H6 H3 H6 7.4 6_645 6_645 6_645 no
H6 H3 H6 142.0 6_645 6_645 6_645 no
H6 H3 H6 149.4 6_645 6_645 6_645 no
H6 H3 H6 134.5 4_655 4_655 4_655 no
H6 H3 H6 142.0 4_655 4_655 4_655 no
H6 H3 H6 7.4 6_655 6_655 6_655 no
CL1 H4 O1 72.9 3_647 3_647 3_647 no
CL1 H4 O4 75.9 3_647 3_647 3_647 no
CL1 H4 N1 147.1 3_647 3_647 3_647 no
CL1 H4 N3 91.1 3_647 3_647 3_647 no
CL1 H4 C3 132.7 3_647 3_647 3_647 no
CL1 H4 C4 149.0 3_647 3_647 3_647 no
CL1 H4 C5 142.5 3_647 3_647 3_647 no
CL1 H4 C6 56.2 3_647 3_647 3_647 no
CL1 H4 C7 133.1 3_647 3_647 3_647 no
CL1 H4 C8 106.9 3_647 3_647 3_647 no
CL1 H4 C8 137.6 3_647 3_647 3_647 no
CL1 H4 C9 97.9 3_647 3_647 3_647 no
CL1 H4 C9 42.4 3_647 3_647 3_647 no
CL1 H4 C10 25.1 3_647 3_647 3_647 no
CL1 H4 H2 121.6 3_647 3_647 3_647 no
CL1 H4 H3 107.7 3_647 3_647 3_647 no
CL1 H4 H4 138.7 3_647 3_647 3_647 no
CL1 H4 H6 51.8 3_647 3_647 3_647 no
CL1 H4 H6 61.6 3_647 3_647 3_647 no
CL1 H4 H7 96.7 3_647 3_647 3_647 no
CL1 H4 H7 149.3 3_647 3_647 3_647 no
CL1 H4 H8 85.0 3_647 3_647 3_647 no
CL1 H4 H8 49.8 3_647 3_647 3_647 no
O1 H4 O4 114.3 1_556 1_556 1_556 no
O1 H4 N1 134.2 1_556 1_556 1_556 no
O1 H4 N3 119.9 1_556 1_556 1_556 no
O1 H4 C3 91.6 1_556 1_556 1_556 no
O1 H4 C4 106.2 1_556 1_556 1_556 no
O1 H4 C5 70.3 1_556 1_556 1_556 no
O1 H4 C6 60.3 1_556 1_556 1_556 no
O1 H4 C7 151.5 1_556 1_556 1_556 no
O1 H4 C8 170.6 1_556 1_556 1_556 no
O1 H4 C8 134.1 1_556 1_556 1_556 no
O1 H4 C9 153.6 1_556 1_556 1_556 no
O1 H4 C9 86.8 1_556 1_556 1_556 no
O1 H4 C10 86.6 1_556 1_556 1_556 no
O1 H4 H2 75.3 1_556 1_556 1_556 no
O1 H4 H3 39.3 1_556 1_556 1_556 no
O1 H4 H4 77.8 1_556 1_556 1_556 no
O1 H4 H6 73.2 1_556 1_556 1_556 no
O1 H4 H6 61.7 1_556 1_556 1_556 no
O1 H4 H7 168.1 1_556 1_556 1_556 no
O1 H4 H7 122.4 1_556 1_556 1_556 no
O1 H4 H8 74.2 1_556 1_556 1_556 no
O1 H4 H8 80.7 1_556 1_556 1_556 no
O4 H4 N1 75.0 . . . no
O4 H4 N3 15.2 . . . no
O4 H4 C3 70.5 . . . no
O4 H4 C4 76.6 . . . no
O4 H4 C5 113.6 . . . no
O4 H4 C6 54.2 . . . no
O4 H4 C7 87.3 . . . no
O4 H4 C8 74.3 . . . no
O4 H4 C8 107.5 . . . no
O4 H4 C9 86.1 . . . no
O4 H4 C9 105.8 . . . no
O4 H4 C10 88.4 . . . no
O4 H4 H2 74.6 . . . no
O4 H4 H3 106.3 . . . no
O4 H4 H4 144.1 . . . no
O4 H4 H6 42.4 . . . no
O4 H4 H6 52.6 . . . no
O4 H4 H7 56.3 . . . no
O4 H4 H7 113.9 . . . no
O4 H4 H8 154.9 . . . no
O4 H4 H8 117.2 . . . no
N1 H4 N3 60.5 . . . no
N1 H4 C3 47.3 . . . no
N1 H4 C4 29.3 . . . no
N1 H4 C5 65.5 . . . no
N1 H4 C6 115.1 . . . no
N1 H4 C7 30.7 . . . no
N1 H4 C8 49.9 . . . no
N1 H4 C8 42.9 . . . no
N1 H4 C9 65.1 . . . no
N1 H4 C9 135.8 . . . no
N1 H4 C10 139.2 . . . no
N1 H4 H2 64.0 . . . no
N1 H4 H3 95.1 . . . no
N1 H4 H4 73.4 . . . no
N1 H4 H6 111.1 . . . no
N1 H4 H6 110.1 . . . no
N1 H4 H7 53.9 . . . no
N1 H4 H7 41.6 . . . no
N1 H4 H8 117.1 . . . no
N1 H4 H8 137.3 . . . no
N3 H4 C3 58.0 . . . no
N3 H4 C4 61.9 . . . no
N3 H4 C5 101.2 . . . no
N3 H4 C6 62.8 . . . no
N3 H4 C7 76.7 . . . no
N3 H4 C8 69.4 . . . no
N3 H4 C8 96.6 . . . no
N3 H4 C9 84.2 . . . no
N3 H4 C9 119.0 . . . no
N3 H4 C10 102.6 . . . no
N3 H4 H2 65.1 . . . no
N3 H4 H3 101.6 . . . no
N3 H4 H4 129.1 . . . no
N3 H4 H6 53.3 . . . no
N3 H4 H6 59.9 . . . no
N3 H4 H7 53.3 . . . no
N3 H4 H7 100.8 . . . no
N3 H4 H8 163.5 . . . no
N3 H4 H8 130.5 . . . no
C3 H4 C4 19.5 . . . no
C3 H4 C5 43.3 . . . no
C3 H4 C6 77.0 . . . no
C3 H4 C7 77.8 . . . no
C3 H4 C8 95.1 . . . no
C3 H4 C8 85.0 . . . no
C3 H4 C9 111.8 . . . no
C3 H4 C9 175.0 . . . no
C3 H4 C10 155.9 . . . no
C3 H4 H2 16.8 . . . no
C3 H4 H3 54.3 . . . no
C3 H4 H4 75.6 . . . no
C3 H4 H6 81.1 . . . no
C3 H4 H6 71.6 . . . no
C3 H4 H7 91.6 . . . no
C3 H4 H7 76.5 . . . no
C3 H4 H8 134.3 . . . no
C3 H4 H8 170.8 . . . no
C4 H4 C5 43.8 . . . no
C4 H4 C6 95.6 . . . no
C4 H4 C7 59.0 . . . no
C4 H4 C8 78.9 . . . no
C4 H4 C8 65.6 . . . no
C4 H4 C9 94.3 . . . no
C4 H4 C9 164.6 . . . no
C4 H4 C10 163.3 . . . no
C4 H4 H2 35.3 . . . no
C4 H4 H3 67.0 . . . no
C4 H4 H4 67.4 . . . no
C4 H4 H6 97.6 . . . no
C4 H4 H6 90.1 . . . no
C4 H4 H7 79.7 . . . no
C4 H4 H7 57.9 . . . no
C4 H4 H8 125.2 . . . no
C4 H4 H8 161.0 . . . no
C5 H4 C6 98.4 . . . no
C5 H4 C7 84.4 . . . no
C5 H4 C8 110.6 . . . no
C5 H4 C8 76.5 . . . no
C5 H4 C9 118.4 . . . no
C5 H4 C9 139.8 . . . no
C5 H4 C10 152.9 . . . no
C5 H4 H2 40.9 . . . no
C5 H4 H3 35.3 . . . no
C5 H4 H4 35.8 . . . no
C5 H4 H6 109.5 . . . no
C5 H4 H6 94.3 . . . no
C5 H4 H7 119.2 . . . no
C5 H4 H7 62.8 . . . no
C5 H4 H8 91.5 . . . no
C5 H4 H8 128.3 . . . no
C6 H4 C7 139.3 4_655 4_655 4_655 no
C6 H4 C8 127.7 4_655 4_655 4_655 no
C6 H4 C8 157.8 4_655 4_655 4_655 no
C6 H4 C9 135.0 4_655 4_655 4_655 no
C6 H4 C9 98.1 4_655 4_655 4_655 no
C6 H4 C10 81.2 4_655 4_655 4_655 no
C6 H4 H2 65.5 4_655 4_655 4_655 no
C6 H4 H3 68.1 4_655 4_655 4_655 no
C6 H4 H4 128.5 4_655 4_655 4_655 no
C6 H4 H6 14.1 4_655 4_655 4_655 no
C6 H4 H6 5.5 4_655 4_655 4_655 no
C6 H4 H7 109.4 4_655 4_655 4_655 no
C6 H4 H7 153.5 4_655 4_655 4_655 no
C6 H4 H8 126.1 4_655 4_655 4_655 no
C6 H4 H8 103.2 4_655 4_655 4_655 no
C7 H4 C8 26.4 . . . no
C7 H4 C8 20.3 . . . no
C7 H4 C9 36.6 . . . no
C7 H4 C9 105.7 . . . no
C7 H4 C10 113.7 . . . no
C7 H4 H2 94.2 . . . no
C7 H4 H3 119.1 . . . no
C7 H4 H4 74.0 . . . no
C7 H4 H6 129.6 . . . no
C7 H4 H6 135.5 . . . no
C7 H4 H7 40.3 . . . no
C7 H4 H7 29.6 . . . no
C7 H4 H8 94.3 . . . no
C7 H4 H8 106.6 . . . no
C8 H4 C8 40.5 . . . no
C8 H4 C9 17.7 . . . no
C8 H4 C9 87.0 . . . no
C8 H4 C10 90.0 . . . no
C8 H4 H2 111.7 . . . no
C8 H4 H3 144.4 . . . no
C8 H4 H4 97.5 . . . no
C8 H4 H6 114.3 . . . no
C8 H4 H6 126.8 . . . no
C8 H4 H7 18.4 . . . no
C8 H4 H7 53.3 . . . no
C8 H4 H8 96.4 . . . no
C8 H4 H8 92.0 . . . no
C8 H4 C9 42.1 7 7 7 no
C8 H4 C9 99.5 7 7 7 no
C8 H4 C10 113.2 7 7 7 no
C8 H4 H2 99.2 7 7 7 no
C8 H4 H3 111.4 7 7 7 no
C8 H4 H4 57.0 7 7 7 no
C8 H4 H6 149.8 7 7 7 no
C8 H4 H6 153.0 7 7 7 no
C8 H4 H7 57.7 7 7 7 no
C8 H4 H7 13.8 7 7 7 no
C8 H4 H8 76.0 7 7 7 no
C8 H4 H8 96.7 7 7 7 no
C9 H4 C9 70.9 . . . no
C9 H4 C10 77.0 . . . no
C9 H4 H2 128.5 . . . no
C9 H4 H3 153.5 . . . no
C9 H4 H4 95.6 . . . no
C9 H4 H6 121.0 . . . no
C9 H4 H6 136.1 . . . no
C9 H4 H7 30.9 . . . no
C9 H4 H7 56.0 . . . no
C9 H4 H8 80.5 . . . no
C9 H4 H8 74.8 . . . no
C9 H4 C10 19.3 5_657 5_657 5_657 no
C9 H4 H2 160.1 5_657 5_657 5_657 no
C9 H4 H3 125.1 5_657 5_657 5_657 no
C9 H4 H4 108.6 5_657 5_657 5_657 no
C9 H4 H6 94.0 5_657 5_657 5_657 no
C9 H4 H6 103.5 5_657 5_657 5_657 no
C9 H4 H7 89.0 5_657 5_657 5_657 no
C9 H4 H7 108.3 5_657 5_657 5_657 no
C9 H4 H8 49.7 5_657 5_657 5_657 no
C9 H4 H8 11.5 5_657 5_657 5_657 no
C10 H4 H2 146.7 3_647 3_647 3_647 no
C10 H4 H3 125.5 3_647 3_647 3_647 no
C10 H4 H4 127.1 3_647 3_647 3_647 no
C10 H4 H6 75.4 3_647 3_647 3_647 no
C10 H4 H6 86.5 3_647 3_647 3_647 no
C10 H4 H7 85.8 3_647 3_647 3_647 no
C10 H4 H7 124.2 3_647 3_647 3_647 no
C10 H4 H8 68.0 3_647 3_647 3_647 no
C10 H4 H8 29.5 3_647 3_647 3_647 no
H2 H4 H3 39.9 . . . no
H2 H4 H4 76.6 . . . no
H2 H4 H6 72.7 . . . no
H2 H4 H6 60.3 . . . no
H2 H4 H7 106.7 . . . no
H2 H4 H7 89.0 . . . no
H2 H4 H8 130.1 . . . no
H2 H4 H8 156.0 . . . no
H3 H4 H4 60.5 . . . no
H3 H4 H6 81.5 . . . no
H3 H4 H6 65.5 . . . no
H3 H4 H7 145.9 . . . no
H3 H4 H7 97.6 . . . no
H3 H4 H8 94.8 . . . no
H3 H4 H8 117.0 . . . no
H4 H4 H6 142.0 7 7 7 no
H4 H4 H6 125.9 7 7 7 no
H4 H4 H7 114.1 7 7 7 no
H4 H4 H7 44.6 7 7 7 no
H4 H4 H8 59.1 7 7 7 no
H4 H4 H8 97.6 7 7 7 no
H6 H4 H6 16.0 6_645 6_645 6_645 no
H6 H4 H7 96.0 6_645 6_645 6_645 no
H6 H4 H7 152.7 6_645 6_645 6_645 no
H6 H4 H8 131.8 6_645 6_645 6_645 no
H6 H4 H8 101.4 6_645 6_645 6_645 no
H6 H4 H7 108.7 4_655 4_655 4_655 no
H6 H4 H7 148.0 4_655 4_655 4_655 no
H6 H4 H8 130.2 4_655 4_655 4_655 no
H6 H4 H8 108.6 4_655 4_655 4_655 no
H7 H4 H7 69.5 . . . no
H7 H4 H8 111.2 . . . no
H7 H4 H8 96.9 . . . no
H7 H4 H8 75.6 7 7 7 no
H7 H4 H8 103.2 7 7 7 no
H8 H4 H8 38.6 3_657 3_657 3_657 no
CL1 H5 O1 75.8 2_556 2_556 2_556 no
CL1 H5 O1 75.9 2_556 2_556 2_556 no
CL1 H5 O2 93.3 2_556 2_556 2_556 no
CL1 H5 O3 117.4 2_556 2_556 2_556 no
CL1 H5 O3 117.5 2_556 2_556 2_556 no
CL1 H5 O3 125.5 2_556 2_556 2_556 no
CL1 H5 O4 62.6 2_556 2_556 2_556 no
CL1 H5 N2 122.3 2_556 2_556 2_556 no
CL1 H5 N2 110.6 2_556 2_556 2_556 no
CL1 H5 N2 110.7 2_556 2_556 2_556 no
CL1 H5 N3 105.3 2_556 2_556 2_556 no
CL1 H5 C1 89.3 2_556 2_556 2_556 no
CL1 H5 C1 89.4 2_556 2_556 2_556 no
CL1 H5 C2 136.3 2_556 2_556 2_556 no
CL1 H5 C3 168.2 2_556 2_556 2_556 no
CL1 H5 C4 165.6 2_556 2_556 2_556 no
CL1 H5 C6 92.4 2_556 2_556 2_556 no
CL1 H5 H1 106.4 2_556 2_556 2_556 no
CL1 H5 H1 117.0 2_556 2_556 2_556 no
CL1 H5 H1 117.1 2_556 2_556 2_556 no
CL1 H5 H2 169.8 2_556 2_556 2_556 no
CL1 H5 H3 67.5 2_556 2_556 2_556 no
CL1 H5 H3 67.5 2_556 2_556 2_556 no
CL1 H5 H6 73.8 2_556 2_556 2_556 no
CL1 H5 H6 73.8 2_556 2_556 2_556 no
O1 H5 O1 137.9 4_655 4_655 4_655 no
O1 H5 O2 75.6 4_655 4_655 4_655 no
O1 H5 O3 54.3 4_655 4_655 4_655 no
O1 H5 O3 166.1 4_655 4_655 4_655 no
O1 H5 O3 85.8 4_655 4_655 4_655 no
O1 H5 O4 97.0 4_655 4_655 4_655 no
O1 H5 N2 110.7 4_655 4_655 4_655 no
O1 H5 N2 36.5 4_655 4_655 4_655 no
O1 H5 N2 138.8 4_655 4_655 4_655 no
O1 H5 N3 79.0 4_655 4_655 4_655 no
O1 H5 C1 19.4 4_655 4_655 4_655 no
O1 H5 C1 132.5 4_655 4_655 4_655 no
O1 H5 C2 111.0 4_655 4_655 4_655 no
O1 H5 C3 107.0 4_655 4_655 4_655 no
O1 H5 C4 107.6 4_655 4_655 4_655 no
O1 H5 C6 105.9 4_655 4_655 4_655 no
O1 H5 H1 108.8 4_655 4_655 4_655 no
O1 H5 H1 41.3 4_655 4_655 4_655 no
O1 H5 H1 150.2 4_655 4_655 4_655 no
O1 H5 H2 101.2 4_655 4_655 4_655 no
O1 H5 H3 41.5 4_655 4_655 4_655 no
O1 H5 H3 141.7 4_655 4_655 4_655 no
O1 H5 H6 77.1 4_655 4_655 4_655 no
O1 H5 H6 123.0 4_655 4_655 4_655 no
O1 H5 O2 75.6 4_665 4_665 4_665 no
O1 H5 O3 166.1 4_665 4_665 4_665 no
O1 H5 O3 54.3 4_665 4_665 4_665 no
O1 H5 O3 85.8 4_665 4_665 4_665 no
O1 H5 O4 97.0 4_665 4_665 4_665 no
O1 H5 N2 110.7 4_665 4_665 4_665 no
O1 H5 N2 138.8 4_665 4_665 4_665 no
O1 H5 N2 36.5 4_665 4_665 4_665 no
O1 H5 N3 79.0 4_665 4_665 4_665 no
O1 H5 C1 132.5 4_665 4_665 4_665 no
O1 H5 C1 19.4 4_665 4_665 4_665 no
O1 H5 C2 111.0 4_665 4_665 4_665 no
O1 H5 C3 107.0 4_665 4_665 4_665 no
O1 H5 C4 107.6 4_665 4_665 4_665 no
O1 H5 C6 105.9 4_665 4_665 4_665 no
O1 H5 H1 108.8 4_665 4_665 4_665 no
O1 H5 H1 150.2 4_665 4_665 4_665 no
O1 H5 H1 41.3 4_665 4_665 4_665 no
O1 H5 H2 101.2 4_665 4_665 4_665 no
O1 H5 H3 141.7 4_665 4_665 4_665 no
O1 H5 H3 41.5 4_665 4_665 4_665 no
O1 H5 H6 123.0 4_665 4_665 4_665 no
O1 H5 H6 77.1 4_665 4_665 4_665 no
O2 H5 O3 106.2 4_655 4_655 4_655 no
O2 H5 O3 106.2 4_655 4_655 4_655 no
O2 H5 O3 32.3 4_655 4_655 4_655 no
O2 H5 O4 155.9 4_655 4_655 4_655 no
O2 H5 N2 144.5 4_655 4_655 4_655 no
O2 H5 N2 63.7 4_655 4_655 4_655 no
O2 H5 N2 63.7 4_655 4_655 4_655 no
O2 H5 N3 12.0 4_655 4_655 4_655 no
O2 H5 C1 60.3 4_655 4_655 4_655 no
O2 H5 C1 60.3 4_655 4_655 4_655 no
O2 H5 C2 130.4 4_655 4_655 4_655 no
O2 H5 C3 98.5 4_655 4_655 4_655 no
O2 H5 C4 101.2 4_655 4_655 4_655 no
O2 H5 C6 174.4 4_655 4_655 4_655 no
O2 H5 H1 160.3 4_655 4_655 4_655 no
O2 H5 H1 76.9 4_655 4_655 4_655 no
O2 H5 H1 77.0 4_655 4_655 4_655 no
O2 H5 H2 76.5 4_655 4_655 4_655 no
O2 H5 H3 116.3 4_655 4_655 4_655 no
O2 H5 H3 116.3 4_655 4_655 4_655 no
O2 H5 H6 151.9 4_655 4_655 4_655 no
O2 H5 H6 151.9 4_655 4_655 4_655 no
O3 H5 O3 112.8 . . . no
O3 H5 O3 88.9 . . . no
O3 H5 O4 86.6 . . . no
O3 H5 N2 59.7 . . . no
O3 H5 N2 43.3 . . . no
O3 H5 N2 131.5 . . . no
O3 H5 N3 100.0 . . . no
O3 H5 C1 55.6 . . . no
O3 H5 C1 151.6 . . . no
O3 H5 C2 57.0 . . . no
O3 H5 C3 59.1 . . . no
O3 H5 C4 58.5 . . . no
O3 H5 C6 71.0 . . . no
O3 H5 H1 64.9 . . . no
O3 H5 H1 29.4 . . . no
O3 H5 H1 125.1 . . . no
O3 H5 H2 66.5 . . . no
O3 H5 H3 50.4 . . . no
O3 H5 H3 137.0 . . . no
O3 H5 H6 61.3 . . . no
O3 H5 H6 101.9 . . . no
O3 H5 O3 88.9 1_565 1_565 1_565 no
O3 H5 O4 86.6 1_565 1_565 1_565 no
O3 H5 N2 59.7 1_565 1_565 1_565 no
O3 H5 N2 131.5 1_565 1_565 1_565 no
O3 H5 N2 43.3 1_565 1_565 1_565 no
O3 H5 N3 100.0 1_565 1_565 1_565 no
O3 H5 C1 151.6 1_565 1_565 1_565 no
O3 H5 C1 55.6 1_565 1_565 1_565 no
O3 H5 C2 57.0 1_565 1_565 1_565 no
O3 H5 C3 59.1 1_565 1_565 1_565 no
O3 H5 C4 58.5 1_565 1_565 1_565 no
O3 H5 C6 71.0 1_565 1_565 1_565 no
O3 H5 H1 64.9 1_565 1_565 1_565 no
O3 H5 H1 125.1 1_565 1_565 1_565 no
O3 H5 H1 29.4 1_565 1_565 1_565 no
O3 H5 H2 66.4 1_565 1_565 1_565 no
O3 H5 H3 137.0 1_565 1_565 1_565 no
O3 H5 H3 50.4 1_565 1_565 1_565 no
O3 H5 H6 101.9 1_565 1_565 1_565 no
O3 H5 H6 61.3 1_565 1_565 1_565 no
O3 H5 O4 171.8 4_655 4_655 4_655 no
O3 H5 N2 112.2 4_655 4_655 4_655 no
O3 H5 N2 56.6 4_655 4_655 4_655 no
O3 H5 N2 56.6 4_655 4_655 4_655 no
O3 H5 N3 20.2 4_655 4_655 4_655 no
O3 H5 C1 66.5 4_655 4_655 4_655 no
O3 H5 C1 66.5 4_655 4_655 4_655 no
O3 H5 C2 98.1 4_655 4_655 4_655 no
O3 H5 C3 66.3 4_655 4_655 4_655 no
O3 H5 C4 68.9 4_655 4_655 4_655 no
O3 H5 C6 142.1 4_655 4_655 4_655 no
O3 H5 H1 128.1 4_655 4_655 4_655 no
O3 H5 H1 64.7 4_655 4_655 4_655 no
O3 H5 H1 64.7 4_655 4_655 4_655 no
O3 H5 H2 44.3 4_655 4_655 4_655 no
O3 H5 H3 124.5 4_655 4_655 4_655 no
O3 H5 H3 124.5 4_655 4_655 4_655 no
O3 H5 H6 150.3 4_655 4_655 4_655 no
O3 H5 H6 150.3 4_655 4_655 4_655 no
O4 H5 N2 59.6 4_654 4_654 4_654 no
O4 H5 N2 122.6 4_654 4_654 4_654 no
O4 H5 N2 122.6 4_654 4_654 4_654 no
O4 H5 N3 167.9 4_654 4_654 4_654 no
O4 H5 C1 115.9 4_654 4_654 4_654 no
O4 H5 C1 115.9 4_654 4_654 4_654 no
O4 H5 C2 73.7 4_654 4_654 4_654 no
O4 H5 C3 105.6 4_654 4_654 4_654 no
O4 H5 C4 102.9 4_654 4_654 4_654 no
O4 H5 C6 29.8 4_654 4_654 4_654 no
O4 H5 H1 43.8 4_654 4_654 4_654 no
O4 H5 H1 112.8 4_654 4_654 4_654 no
O4 H5 H1 112.8 4_654 4_654 4_654 no
O4 H5 H2 127.6 4_654 4_654 4_654 no
O4 H5 H3 56.6 4_654 4_654 4_654 no
O4 H5 H3 56.6 4_654 4_654 4_654 no
O4 H5 H6 26.0 4_654 4_654 4_654 no
O4 H5 H6 26.0 4_654 4_654 4_654 no
N2 H5 N2 99.8 . . . no
N2 H5 N2 99.8 . . . no
N2 H5 N3 132.5 . . . no
N2 H5 C1 115.3 . . . no
N2 H5 C1 115.3 . . . no
N2 H5 C2 14.1 . . . no
N2 H5 C3 46.0 . . . no
N2 H5 C4 43.3 . . . no
N2 H5 C6 29.9 . . . no
N2 H5 H1 15.9 . . . no
N2 H5 H1 85.8 . . . no
N2 H5 H1 85.8 . . . no
N2 H5 H2 67.9 . . . no
N2 H5 H3 81.2 . . . no
N2 H5 H3 81.2 . . . no
N2 H5 H6 54.2 . . . no
N2 H5 H6 54.2 . . . no
N2 H5 N2 113.0 4_655 4_655 4_655 no
N2 H5 N3 59.8 4_655 4_655 4_655 no
N2 H5 C1 21.5 4_655 4_655 4_655 no
N2 H5 C1 121.1 4_655 4_655 4_655 no
N2 H5 C2 92.2 4_655 4_655 4_655 no
N2 H5 C3 75.0 4_655 4_655 4_655 no
N2 H5 C4 76.4 4_655 4_655 4_655 no
N2 H5 C6 114.2 4_655 4_655 4_655 no
N2 H5 H1 107.9 4_655 4_655 4_655 no
N2 H5 H1 14.3 4_655 4_655 4_655 no
N2 H5 H1 118.6 4_655 4_655 4_655 no
N2 H5 H2 65.0 4_655 4_655 4_655 no
N2 H5 H3 68.2 4_655 4_655 4_655 no
N2 H5 H3 178.1 4_655 4_655 4_655 no
N2 H5 H6 97.1 4_655 4_655 4_655 no
N2 H5 H6 144.1 4_655 4_655 4_655 no
N2 H5 N3 59.8 4_665 4_665 4_665 no
N2 H5 C1 121.1 4_665 4_665 4_665 no
N2 H5 C1 21.5 4_665 4_665 4_665 no
N2 H5 C2 92.2 4_665 4_665 4_665 no
N2 H5 C3 75.0 4_665 4_665 4_665 no
N2 H5 C4 76.4 4_665 4_665 4_665 no
N2 H5 C6 114.2 4_665 4_665 4_665 no
N2 H5 H1 107.9 4_665 4_665 4_665 no
N2 H5 H1 118.6 4_665 4_665 4_665 no
N2 H5 H1 14.3 4_665 4_665 4_665 no
N2 H5 H2 65.0 4_665 4_665 4_665 no
N2 H5 H3 178.1 4_665 4_665 4_665 no
N2 H5 H3 68.2 4_665 4_665 4_665 no
N2 H5 H6 144.1 4_665 4_665 4_665 no
N2 H5 H6 97.1 4_665 4_665 4_665 no
N3 H5 C1 61.5 4_655 4_655 4_655 no
N3 H5 C1 61.5 4_655 4_655 4_655 no
N3 H5 C2 118.4 4_655 4_655 4_655 no
N3 H5 C3 86.5 4_655 4_655 4_655 no
N3 H5 C4 89.1 4_655 4_655 4_655 no
N3 H5 C6 162.3 4_655 4_655 4_655 no
N3 H5 H1 148.3 4_655 4_655 4_655 no
N3 H5 H1 71.8 4_655 4_655 4_655 no
N3 H5 H1 71.8 4_655 4_655 4_655 no
N3 H5 H2 64.5 4_655 4_655 4_655 no
N3 H5 H3 120.5 4_655 4_655 4_655 no
N3 H5 H3 120.5 4_655 4_655 4_655 no
N3 H5 H6 155.6 4_655 4_655 4_655 no
N3 H5 H6 155.6 4_655 4_655 4_655 no
C1 H5 C1 120.3 4_655 4_655 4_655 no
C1 H5 C2 110.6 4_655 4_655 4_655 no
C1 H5 C3 96.5 4_655 4_655 4_655 no
C1 H5 C4 97.8 4_655 4_655 4_655 no
C1 H5 C6 119.8 4_655 4_655 4_655 no
C1 H5 H1 118.7 4_655 4_655 4_655 no
C1 H5 H1 32.1 4_655 4_655 4_655 no
C1 H5 H1 131.2 4_655 4_655 4_655 no
C1 H5 H2 85.6 4_655 4_655 4_655 no
C1 H5 H3 59.5 4_655 4_655 4_655 no
C1 H5 H3 156.7 4_655 4_655 4_655 no
C1 H5 H6 94.1 4_655 4_655 4_655 no
C1 H5 H6 141.7 4_655 4_655 4_655 no
C1 H5 C2 110.6 4_665 4_665 4_665 no
C1 H5 C3 96.5 4_665 4_665 4_665 no
C1 H5 C4 97.7 4_665 4_665 4_665 no
C1 H5 C6 119.8 4_665 4_665 4_665 no
C1 H5 H1 118.7 4_665 4_665 4_665 no
C1 H5 H1 131.2 4_665 4_665 4_665 no
C1 H5 H1 32.1 4_665 4_665 4_665 no
C1 H5 H2 85.6 4_665 4_665 4_665 no
C1 H5 H3 156.7 4_665 4_665 4_665 no
C1 H5 H3 59.5 4_665 4_665 4_665 no
C1 H5 H6 141.7 4_665 4_665 4_665 no
C1 H5 H6 94.1 4_665 4_665 4_665 no
C2 H5 C3 31.9 . . . no
C2 H5 C4 29.2 . . . no
C2 H5 C6 43.9 . . . no
C2 H5 H1 29.9 . . . no
C2 H5 H1 79.0 . . . no
C2 H5 H1 79.0 . . . no
C2 H5 H2 53.9 . . . no
C2 H5 H3 89.2 . . . no
C2 H5 H3 89.1 . . . no
C2 H5 H6 66.6 . . . no
C2 H5 H6 66.6 . . . no
C3 H5 C4 2.7 . . . no
C3 H5 C6 75.8 . . . no
C3 H5 H1 61.8 . . . no
C3 H5 H1 66.2 . . . no
C3 H5 H1 66.1 . . . no
C3 H5 H2 22.0 . . . no
C3 H5 H3 106.8 . . . no
C3 H5 H3 106.7 . . . no
C3 H5 H6 95.5 . . . no
C3 H5 H6 95.5 . . . no
C4 H5 C6 73.2 . . . no
C4 H5 H1 59.2 . . . no
C4 H5 H1 67.0 . . . no
C4 H5 H1 67.0 . . . no
C4 H5 H2 24.6 . . . no
C4 H5 H3 105.4 . . . no
C4 H5 H3 105.4 . . . no
C4 H5 H6 93.1 . . . no
C4 H5 H6 93.1 . . . no
C6 H5 H1 14.0 . . . no
C6 H5 H1 100.4 . . . no
C6 H5 H1 100.4 . . . no
C6 H5 H2 97.8 . . . no
C6 H5 H3 66.1 . . . no
C6 H5 H3 66.1 . . . no
C6 H5 H6 31.2 . . . no
C6 H5 H6 31.2 . . . no
H1 H5 H1 93.7 . . . no
H1 H5 H1 93.6 . . . no
H1 H5 H2 83.8 . . . no
H1 H5 H3 72.7 . . . no
H1 H5 H3 72.7 . . . no
H1 H5 H6 41.1 . . . no
H1 H5 H6 41.1 . . . no
H1 H5 H1 120.4 4_655 4_655 4_655 no
H1 H5 H2 61.1 4_655 4_655 4_655 no
H1 H5 H3 63.0 4_655 4_655 4_655 no
H1 H5 H3 166.3 4_655 4_655 4_655 no
H1 H5 H6 86.8 4_655 4_655 4_655 no
H1 H5 H6 131.1 4_655 4_655 4_655 no
H1 H5 H2 61.1 4_665 4_665 4_665 no
H1 H5 H3 166.3 4_665 4_665 4_665 no
H1 H5 H3 63.0 4_665 4_665 4_665 no
H1 H5 H6 131.1 4_665 4_665 4_665 no
H1 H5 H6 86.8 4_665 4_665 4_665 no
H2 H5 H3 116.8 . . . no
H2 H5 H3 116.8 . . . no
H2 H5 H6 115.3 . . . no
H2 H5 H6 115.3 . . . no
H3 H5 H3 110.5 4_654 4_654 4_654 no
H3 H5 H6 35.8 4_654 4_654 4_654 no
H3 H5 H6 82.2 4_654 4_654 4_654 no
H3 H5 H6 82.2 4_664 4_664 4_664 no
H3 H5 H6 35.8 4_664 4_664 4_664 no
H6 H5 H6 48.6 . . . no
CL1 H6 O1 76.1 2_556 2_556 2_556 no
CL1 H6 O2 70.6 2_556 2_556 2_556 no
CL1 H6 O3 134.4 2_556 2_556 2_556 no
CL1 H6 O3 118.5 2_556 2_556 2_556 no
CL1 H6 O4 81.4 2_556 2_556 2_556 no
CL1 H6 N2 152.7 2_556 2_556 2_556 no
CL1 H6 N3 98.6 2_556 2_556 2_556 no
CL1 H6 C1 158.2 2_556 2_556 2_556 no
CL1 H6 C2 138.6 2_556 2_556 2_556 no
CL1 H6 C3 130.3 2_556 2_556 2_556 no
CL1 H6 C3 118.3 2_556 2_556 2_556 no
CL1 H6 C4 96.1 2_556 2_556 2_556 no
CL1 H6 C5 78.0 2_556 2_556 2_556 no
CL1 H6 C6 94.7 2_556 2_556 2_556 no
CL1 H6 H1 142.1 2_556 2_556 2_556 no
CL1 H6 H1 111.3 2_556 2_556 2_556 no
CL1 H6 H2 115.7 2_556 2_556 2_556 no
CL1 H6 H2 127.5 2_556 2_556 2_556 no
CL1 H6 H3 84.4 2_556 2_556 2_556 no
CL1 H6 H3 66.3 2_556 2_556 2_556 no
CL1 H6 H4 62.9 2_556 2_556 2_556 no
CL1 H6 H4 52.7 2_556 2_556 2_556 no
CL1 H6 H5 76.8 2_556 2_556 2_556 no
CL1 H6 H6 77.9 2_556 2_556 2_556 no
O1 H6 O2 59.9 4_655 4_655 4_655 no
O1 H6 O3 58.5 4_655 4_655 4_655 no
O1 H6 O3 143.7 4_655 4_655 4_655 no
O1 H6 O4 132.3 4_655 4_655 4_655 no
O1 H6 N2 127.9 4_655 4_655 4_655 no
O1 H6 N3 138.3 4_655 4_655 4_655 no
O1 H6 C1 122.2 4_655 4_655 4_655 no
O1 H6 C2 110.0 4_655 4_655 4_655 no
O1 H6 C3 94.0 4_655 4_655 4_655 no
O1 H6 C3 87.6 4_655 4_655 4_655 no
O1 H6 C4 82.0 4_655 4_655 4_655 no
O1 H6 C5 62.2 4_655 4_655 4_655 no
O1 H6 C6 103.7 4_655 4_655 4_655 no
O1 H6 H1 141.2 4_655 4_655 4_655 no
O1 H6 H1 39.1 4_655 4_655 4_655 no
O1 H6 H2 82.7 4_655 4_655 4_655 no
O1 H6 H2 79.9 4_655 4_655 4_655 no
O1 H6 H3 48.6 4_655 4_655 4_655 no
O1 H6 H3 135.7 4_655 4_655 4_655 no
O1 H6 H4 68.6 4_655 4_655 4_655 no
O1 H6 H4 128.7 4_655 4_655 4_655 no
O1 H6 H5 75.5 4_655 4_655 4_655 no
O1 H6 H6 137.1 4_655 4_655 4_655 no
O2 H6 O3 87.9 4_655 4_655 4_655 no
O2 H6 O3 154.0 4_655 4_655 4_655 no
O2 H6 O4 145.6 4_655 4_655 4_655 no
O2 H6 N2 107.9 4_655 4_655 4_655 no
O2 H6 N3 157.5 4_655 4_655 4_655 no
O2 H6 C1 106.6 4_655 4_655 4_655 no
O2 H6 C2 77.6 4_655 4_655 4_655 no
O2 H6 C3 62.8 4_655 4_655 4_655 no
O2 H6 C3 144.3 4_655 4_655 4_655 no
O2 H6 C4 141.4 4_655 4_655 4_655 no
O2 H6 C5 118.7 4_655 4_655 4_655 no
O2 H6 C6 46.5 4_655 4_655 4_655 no
O2 H6 H1 127.2 4_655 4_655 4_655 no
O2 H6 H1 60.1 4_655 4_655 4_655 no
O2 H6 H2 46.6 4_655 4_655 4_655 no
O2 H6 H2 131.4 4_655 4_655 4_655 no
O2 H6 H3 107.9 4_655 4_655 4_655 no
O2 H6 H3 85.4 4_655 4_655 4_655 no
O2 H6 H4 116.5 4_655 4_655 4_655 no
O2 H6 H4 96.6 4_655 4_655 4_655 no
O2 H6 H5 16.1 4_655 4_655 4_655 no
O2 H6 H6 79.5 4_655 4_655 4_655 no
O3 H6 O3 98.5 . . . no
O3 H6 O4 126.4 . . . no
O3 H6 N2 71.4 . . . no
O3 H6 N3 112.6 . . . no
O3 H6 C1 65.6 . . . no
O3 H6 C2 67.9 . . . no
O3 H6 C3 61.4 . . . no
O3 H6 C3 60.7 . . . no
O3 H6 C4 76.0 . . . no
O3 H6 C5 78.3 . . . no
O3 H6 C6 98.6 . . . no
O3 H6 H1 82.9 . . . no
O3 H6 H1 29.0 . . . no
O3 H6 H2 64.5 . . . no
O3 H6 H2 45.8 . . . no
O3 H6 H3 64.2 . . . no
O3 H6 H3 153.6 . . . no
O3 H6 H4 95.2 . . . no
O3 H6 H4 172.8 . . . no
O3 H6 H5 93.6 . . . no
O3 H6 H6 138.5 . . . no
O3 H6 O4 37.7 4_654 4_654 4_654 no
O3 H6 N2 52.1 4_654 4_654 4_654 no
O3 H6 N3 20.8 4_654 4_654 4_654 no
O3 H6 C1 55.2 4_654 4_654 4_654 no
O3 H6 C2 81.6 4_654 4_654 4_654 no
O3 H6 C3 98.3 4_654 4_654 4_654 no
O3 H6 C3 56.1 4_654 4_654 4_654 no
O3 H6 C4 64.2 4_654 4_654 4_654 no
O3 H6 C5 87.2 4_654 4_654 4_654 no
O3 H6 C6 107.6 4_654 4_654 4_654 no
O3 H6 H1 31.0 4_654 4_654 4_654 no
O3 H6 H1 127.1 4_654 4_654 4_654 no
O3 H6 H2 114.2 4_654 4_654 4_654 no
O3 H6 H2 64.8 4_654 4_654 4_654 no
O3 H6 H3 97.5 4_654 4_654 4_654 no
O3 H6 H3 77.7 4_654 4_654 4_654 no
O3 H6 H4 88.1 4_654 4_654 4_654 no
O3 H6 H4 75.0 4_654 4_654 4_654 no
O3 H6 H5 138.0 4_654 4_654 4_654 no
O3 H6 H6 79.1 4_654 4_654 4_654 no
O4 H6 N2 88.0 4_654 4_654 4_654 no
O4 H6 N3 17.2 4_654 4_654 4_654 no
O4 H6 C1 92.0 4_654 4_654 4_654 no
O4 H6 C2 114.7 4_654 4_654 4_654 no
O4 H6 C3 131.8 4_654 4_654 4_654 no
O4 H6 C3 67.2 4_654 4_654 4_654 no
O4 H6 C4 59.1 4_654 4_654 4_654 no
O4 H6 C5 72.3 4_654 4_654 4_654 no
O4 H6 C6 119.7 4_654 4_654 4_654 no
O4 H6 H1 67.2 4_654 4_654 4_654 no
O4 H6 H1 152.8 4_654 4_654 4_654 no
O4 H6 H2 144.9 4_654 4_654 4_654 no
O4 H6 H2 81.6 4_654 4_654 4_654 no
O4 H6 H3 88.1 4_654 4_654 4_654 no
O4 H6 H3 64.8 4_654 4_654 4_654 no
O4 H6 H4 63.8 4_654 4_654 4_654 no
O4 H6 H4 49.6 4_654 4_654 4_654 no
O4 H6 H5 138.4 4_654 4_654 4_654 no
O4 H6 H6 75.4 4_654 4_654 4_654 no
N2 H6 N3 72.5 . . . no
N2 H6 C1 5.8 . . . no
N2 H6 C2 30.3 . . . no
N2 H6 C3 46.4 . . . no
N2 H6 C3 79.5 . . . no
N2 H6 C4 99.9 . . . no
N2 H6 C5 122.5 . . . no
N2 H6 C6 68.9 . . . no
N2 H6 H1 21.2 . . . no
N2 H6 H1 89.3 . . . no
N2 H6 H2 62.5 . . . no
N2 H6 H2 74.9 . . . no
N2 H6 H3 120.5 . . . no
N2 H6 H3 86.5 . . . no
N2 H6 H4 133.1 . . . no
N2 H6 H4 101.8 . . . no
N2 H6 H5 95.5 . . . no
N2 H6 H6 75.2 . . . no
N3 H6 C1 75.9 4_654 4_654 4_654 no
N3 H6 C2 101.1 4_654 4_654 4_654 no
N3 H6 C3 118.2 4_654 4_654 4_654 no
N3 H6 C3 58.1 4_654 4_654 4_654 no
N3 H6 C4 57.1 4_654 4_654 4_654 no
N3 H6 C5 76.2 4_654 4_654 4_654 no
N3 H6 C6 118.0 4_654 4_654 4_654 no
N3 H6 H1 51.3 4_654 4_654 4_654 no
N3 H6 H1 141.4 4_654 4_654 4_654 no
N3 H6 H2 133.4 4_654 4_654 4_654 no
N3 H6 H2 70.9 4_654 4_654 4_654 no
N3 H6 H3 90.0 4_654 4_654 4_654 no
N3 H6 H3 72.1 4_654 4_654 4_654 no
N3 H6 H4 72.3 4_654 4_654 4_654 no
N3 H6 H4 62.1 4_654 4_654 4_654 no
N3 H6 H5 144.6 4_654 4_654 4_654 no
N3 H6 H6 78.9 4_654 4_654 4_654 no
C1 H6 C2 29.3 . . . no
C1 H6 C3 44.1 . . . no
C1 H6 C3 77.2 . . . no
C1 H6 C4 98.3 . . . no
C1 H6 C5 119.9 . . . no
C1 H6 C6 70.5 . . . no
C1 H6 H1 24.8 . . . no
C1 H6 H1 83.9 . . . no
C1 H6 H2 60.4 . . . no
C1 H6 H2 71.3 . . . no
C1 H6 H3 116.4 . . . no
C1 H6 H3 92.0 . . . no
C1 H6 H4 132.1 . . . no
C1 H6 H4 107.6 . . . no
C1 H6 H5 95.4 . . . no
C1 H6 H6 80.3 . . . no
C2 H6 C3 17.2 . . . no
C2 H6 C3 103.0 . . . no
C2 H6 C4 125.2 . . . no
C2 H6 C5 142.1 . . . no
C2 H6 C6 43.9 . . . no
C2 H6 H1 50.8 . . . no
C2 H6 H1 72.4 . . . no
C2 H6 H2 32.6 . . . no
C2 H6 H2 93.4 . . . no
C2 H6 H3 131.4 . . . no
C2 H6 H3 85.8 . . . no
C2 H6 H4 158.4 . . . no
C2 H6 H4 107.5 . . . no
C2 H6 H5 66.1 . . . no
C2 H6 H6 70.8 . . . no
C3 H6 C3 109.6 . . . no
C3 H6 C4 131.2 . . . no
C3 H6 C5 139.7 . . . no
C3 H6 C6 39.7 . . . no
C3 H6 H1 67.4 . . . no
C3 H6 H1 58.4 . . . no
C3 H6 H2 16.3 . . . no
C3 H6 H2 97.1 . . . no
C3 H6 H3 124.9 . . . no
C3 H6 H3 93.0 . . . no
C3 H6 H4 156.3 . . . no
C3 H6 H4 115.8 . . . no
C3 H6 H5 53.7 . . . no
C3 H6 H6 77.8 . . . no
C3 H6 C4 22.2 4_654 4_654 4_654 no
C3 H6 C5 43.0 4_654 4_654 4_654 no
C3 H6 C6 146.9 4_654 4_654 4_654 no
C3 H6 H1 69.1 4_654 4_654 4_654 no
C3 H6 H1 85.7 4_654 4_654 4_654 no
C3 H6 H2 120.5 4_654 4_654 4_654 no
C3 H6 H2 15.0 4_654 4_654 4_654 no
C3 H6 H3 45.1 4_654 4_654 4_654 no
C3 H6 H3 130.3 4_654 4_654 4_654 no
C3 H6 H4 55.8 4_654 4_654 4_654 no
C3 H6 H4 116.4 4_654 4_654 4_654 no
C3 H6 H5 154.2 4_654 4_654 4_654 no
C3 H6 H6 135.1 4_654 4_654 4_654 no
C4 H6 C5 24.2 4_654 4_654 4_654 no
C4 H6 C6 168.8 4_654 4_654 4_654 no
C4 H6 H1 85.8 4_654 4_654 4_654 no
C4 H6 H1 94.8 4_654 4_654 4_654 no
C4 H6 H2 139.9 4_654 4_654 4_654 no
C4 H6 H2 34.3 4_654 4_654 4_654 no
C4 H6 H3 33.6 4_654 4_654 4_654 no
C4 H6 H3 123.2 4_654 4_654 4_654 no
C4 H6 H4 33.9 4_654 4_654 4_654 no
C4 H6 H4 103.4 4_654 4_654 4_654 no
C4 H6 H5 157.4 4_654 4_654 4_654 no
C4 H6 H6 134.4 4_654 4_654 4_654 no
C5 H6 C6 165.2 4_654 4_654 4_654 no
C5 H6 H1 110.0 4_654 4_654 4_654 no
C5 H6 H1 86.4 4_654 4_654 4_654 no
C5 H6 H2 138.7 4_654 4_654 4_654 no
C5 H6 H2 49.5 4_654 4_654 4_654 no
C5 H6 H3 16.4 4_654 4_654 4_654 no
C5 H6 H3 127.0 4_654 4_654 4_654 no
C5 H6 H4 17.3 4_654 4_654 4_654 no
C5 H6 H4 104.2 4_654 4_654 4_654 no
C5 H6 H5 134.7 4_654 4_654 4_654 no
C5 H6 H6 142.0 4_654 4_654 4_654 no
C6 H6 H1 83.7 . . . no
C6 H6 H1 84.2 . . . no
C6 H6 H2 34.3 . . . no
C6 H6 H2 136.4 . . . no
C6 H6 H3 151.7 . . . no
C6 H6 H3 59.1 . . . no
C6 H6 H4 157.3 . . . no
C6 H6 H4 80.7 . . . no
C6 H6 H5 30.6 . . . no
C6 H6 H6 45.6 . . . no
H1 H6 H1 106.3 . . . no
H1 H6 H2 83.4 . . . no
H1 H6 H2 69.7 . . . no
H1 H6 H3 114.0 . . . no
H1 H6 H3 81.0 . . . no
H1 H6 H4 116.1 . . . no
H1 H6 H4 89.9 . . . no
H1 H6 H5 113.1 . . . no
H1 H6 H6 74.2 . . . no
H1 H6 H2 52.4 4_655 4_655 4_655 no
H1 H6 H2 71.6 4_655 4_655 4_655 no
H1 H6 H3 70.0 4_655 4_655 4_655 no
H1 H6 H3 142.0 4_655 4_655 4_655 no
H1 H6 H4 99.6 4_655 4_655 4_655 no
H1 H6 H4 156.5 4_655 4_655 4_655 no
H1 H6 H5 68.8 4_655 4_655 4_655 no
H1 H6 H6 129.8 4_655 4_655 4_655 no
H2 H6 H2 106.4 . . . no
H2 H6 H3 122.4 . . . no
H2 H6 H3 93.0 . . . no
H2 H6 H4 150.9 . . . no
H2 H6 H4 115.0 . . . no
H2 H6 H5 39.1 . . . no
H2 H6 H6 78.7 . . . no
H2 H6 H3 45.9 4_654 4_654 4_654 no
H2 H6 H3 142.1 4_654 4_654 4_654 no
H2 H6 H4 65.0 4_654 4_654 4_654 no
H2 H6 H4 131.1 4_654 4_654 4_654 no
H2 H6 H5 139.3 4_654 4_654 4_654 no
H2 H6 H6 142.5 4_654 4_654 4_654 no
H3 H6 H3 142.0 4_654 4_654 4_654 no
H3 H6 H4 31.4 4_654 4_654 4_654 no
H3 H6 H4 119.3 4_654 4_654 4_654 no
H3 H6 H5 123.8 4_654 4_654 4_654 no
H3 H6 H6 157.3 4_654 4_654 4_654 no
H3 H6 H4 110.6 4_664 4_664 4_664 no
H3 H6 H4 22.8 4_664 4_664 4_664 no
H3 H6 H5 74.0 4_664 4_664 4_664 no
H3 H6 H6 15.3 4_664 4_664 4_664 no
H4 H6 H4 87.9 4_654 4_654 4_654 no
H4 H6 H5 130.7 4_654 4_654 4_654 no
H4 H6 H6 125.9 4_654 4_654 4_654 no
H4 H6 H5 89.4 6_654 6_654 6_654 no
H4 H6 H6 38.1 6_654 6_654 6_654 no
H5 H6 H6 65.7 . . . no
CL1 H7 O1 67.7 3_646 3_646 3_646 no
CL1 H7 O2 71.6 3_646 3_646 3_646 no
CL1 H7 O4 112.9 3_646 3_646 3_646 no
CL1 H7 N1 109.2 3_646 3_646 3_646 no
CL1 H7 N3 93.9 3_646 3_646 3_646 no
CL1 H7 C1 85.8 3_646 3_646 3_646 no
CL1 H7 C4 128.5 3_646 3_646 3_646 no
CL1 H7 C5 152.7 3_646 3_646 3_646 no
CL1 H7 C7 108.0 3_646 3_646 3_646 no
CL1 H7 C8 99.6 3_646 3_646 3_646 no
CL1 H7 C8 106.0 3_646 3_646 3_646 no
CL1 H7 C8 70.3 3_646 3_646 3_646 no
CL1 H7 C9 88.3 3_646 3_646 3_646 no
CL1 H7 C9 100.3 3_646 3_646 3_646 no
CL1 H7 C9 69.3 3_646 3_646 3_646 no
CL1 H7 C10 93.3 3_646 3_646 3_646 no
CL1 H7 H4 165.3 3_646 3_646 3_646 no
CL1 H7 H4 150.2 3_646 3_646 3_646 no
CL1 H7 H7 108.1 3_646 3_646 3_646 no
CL1 H7 H7 71.9 3_646 3_646 3_646 no
CL1 H7 H8 81.5 3_646 3_646 3_646 no
CL1 H7 H8 70.9 3_646 3_646 3_646 no
O1 H7 O2 68.2 . . . no
O1 H7 O4 98.8 . . . no
O1 H7 N1 41.7 . . . no
O1 H7 N3 79.5 . . . no
O1 H7 C1 20.6 . . . no
O1 H7 C4 63.3 . . . no
O1 H7 C5 85.5 . . . no
O1 H7 C7 51.1 . . . no
O1 H7 C8 73.0 . . . no
O1 H7 C8 59.6 . . . no
O1 H7 C8 129.1 . . . no
O1 H7 C9 100.3 . . . no
O1 H7 C9 74.7 . . . no
O1 H7 C9 136.5 . . . no
O1 H7 C10 90.0 . . . no
O1 H7 H4 98.9 . . . no
O1 H7 H4 83.7 . . . no
O1 H7 H7 54.9 . . . no
O1 H7 H7 125.1 . . . no
O1 H7 H8 117.5 . . . no
O1 H7 H8 137.7 . . . no
O2 H7 O4 44.5 . . . no
O2 H7 N1 77.8 . . . no
O2 H7 N3 22.6 . . . no
O2 H7 C1 63.4 . . . no
O2 H7 C4 76.8 . . . no
O2 H7 C5 94.5 . . . no
O2 H7 C7 109.7 . . . no
O2 H7 C8 140.8 . . . no
O2 H7 C8 122.9 . . . no
O2 H7 C8 72.3 . . . no
O2 H7 C9 159.4 . . . no
O2 H7 C9 142.4 . . . no
O2 H7 C9 92.9 . . . no
O2 H7 C10 156.8 . . . no
O2 H7 H4 98.3 . . . no
O2 H7 H4 106.3 . . . no
O2 H7 H7 115.2 . . . no
O2 H7 H7 64.8 . . . no
O2 H7 H8 147.8 . . . no
O2 H7 H8 106.3 . . . no
O4 H7 N1 79.5 . . . no
O4 H7 N3 23.0 . . . no
O4 H7 C1 82.7 . . . no
O4 H7 C4 62.3 . . . no
O4 H7 C5 64.9 . . . no
O4 H7 C7 110.5 . . . no
O4 H7 C8 140.7 . . . no
O4 H7 C8 122.7 . . . no
O4 H7 C8 72.6 . . . no
O4 H7 C9 155.6 . . . no
O4 H7 C9 140.9 . . . no
O4 H7 C9 92.3 . . . no
O4 H7 C10 153.7 . . . no
O4 H7 H4 61.7 . . . no
O4 H7 H4 78.6 . . . no
O4 H7 H7 115.0 . . . no
O4 H7 H7 65.0 . . . no
O4 H7 H8 143.6 . . . no
O4 H7 H8 104.8 . . . no
N1 H7 N3 72.7 . . . no
N1 H7 C1 24.2 . . . no
N1 H7 C4 23.0 . . . no
N1 H7 C5 43.7 . . . no
N1 H7 C7 34.1 . . . no
N1 H7 C8 69.1 . . . no
N1 H7 C8 48.1 . . . no
N1 H7 C8 148.7 . . . no
N1 H7 C9 105.5 . . . no
N1 H7 C9 70.3 . . . no
N1 H7 C9 170.4 . . . no
N1 H7 C10 91.3 . . . no
N1 H7 H4 57.2 . . . no
N1 H7 H4 43.7 . . . no
N1 H7 H7 39.6 . . . no
N1 H7 H7 140.4 . . . no
N1 H7 H8 129.0 . . . no
N1 H7 H8 175.4 . . . no
N3 H7 C1 67.3 . . . no
N3 H7 C4 63.3 . . . no
N3 H7 C5 75.6 . . . no
N3 H7 C7 106.7 . . . no
N3 H7 C8 141.7 . . . no
N3 H7 C8 120.7 . . . no
N3 H7 C8 76.1 . . . no
N3 H7 C9 177.4 . . . no
N3 H7 C9 142.9 . . . no
N3 H7 C9 97.8 . . . no
N3 H7 C10 163.9 . . . no
N3 H7 H4 77.1 . . . no
N3 H7 H4 88.8 . . . no
N3 H7 H7 112.3 . . . no
N3 H7 H7 67.7 . . . no
N3 H7 H8 158.1 . . . no
N3 H7 H8 111.9 . . . no
C1 H7 C4 43.4 . . . no
C1 H7 C5 66.9 . . . no
C1 H7 C7 47.1 . . . no
C1 H7 C8 78.1 . . . no
C1 H7 C8 59.6 . . . no
C1 H7 C8 134.5 . . . no
C1 H7 C9 111.8 . . . no
C1 H7 C9 79.7 . . . no
C1 H7 C9 150.4 . . . no
C1 H7 C10 98.9 . . . no
C1 H7 H4 80.0 . . . no
C1 H7 H4 67.9 . . . no
C1 H7 H7 52.3 . . . no
C1 H7 H7 127.7 . . . no
C1 H7 H8 133.0 . . . no
C1 H7 H8 156.7 . . . no
C4 H7 C5 24.5 . . . no
C4 H7 C7 48.2 . . . no
C4 H7 C8 80.5 . . . no
C4 H7 C8 60.6 . . . no
C4 H7 C8 134.9 . . . no
C4 H7 C9 114.3 . . . no
C4 H7 C9 81.2 . . . no
C4 H7 C9 152.4 . . . no
C4 H7 C10 101.1 . . . no
C4 H7 H4 36.9 . . . no
C4 H7 H4 31.1 . . . no
C4 H7 H7 52.7 . . . no
C4 H7 H7 127.3 . . . no
C4 H7 H8 135.2 . . . no
C4 H7 H8 158.9 . . . no
C5 H7 C7 53.7 . . . no
C5 H7 C8 76.1 . . . no
C5 H7 C8 61.3 . . . no
C5 H7 C8 128.9 . . . no
C5 H7 C9 101.8 . . . no
C5 H7 C9 76.1 . . . no
C5 H7 C9 136.4 . . . no
C5 H7 C10 91.5 . . . no
C5 H7 H4 13.5 . . . no
C5 H7 H4 13.8 . . . no
C5 H7 H7 55.9 . . . no
C5 H7 H7 124.1 . . . no
C5 H7 H8 117.1 . . . no
C5 H7 H8 136.4 . . . no
C7 H7 C8 35.0 . . . no
C7 H7 C8 14.0 . . . no
C7 H7 C8 176.9 . . . no
C7 H7 C9 71.4 . . . no
C7 H7 C9 36.2 . . . no
C7 H7 C9 155.4 . . . no
C7 H7 C10 57.3 . . . no
C7 H7 H4 64.6 . . . no
C7 H7 H4 43.5 . . . no
C7 H7 H7 5.6 . . . no
C7 H7 H7 174.4 . . . no
C7 H7 H8 95.0 . . . no
C7 H7 H8 141.4 . . . no
C8 H7 C8 21.0 . . . no
C8 H7 C8 142.2 . . . no
C8 H7 C9 36.4 . . . no
C8 H7 C9 1.7 . . . no
C8 H7 C9 120.4 . . . no
C8 H7 C10 22.3 . . . no
C8 H7 H4 81.3 . . . no
C8 H7 H4 62.5 . . . no
C8 H7 H7 29.5 . . . no
C8 H7 H7 150.5 . . . no
C8 H7 H8 60.0 . . . no
C8 H7 H8 106.4 . . . no
C8 H7 C8 163.2 7 7 7 no
C8 H7 C9 57.4 7 7 7 no
C8 H7 C9 22.2 7 7 7 no
C8 H7 C9 141.4 7 7 7 no
C8 H7 C10 43.2 7 7 7 no
C8 H7 H4 69.9 7 7 7 no
C8 H7 H4 49.0 7 7 7 no
C8 H7 H7 8.5 7 7 7 no
C8 H7 H7 171.5 7 7 7 no
C8 H7 H8 80.9 7 7 7 no
C8 H7 H8 127.3 7 7 7 no
C8 H7 C9 105.8 7_545 7_545 7_545 no
C8 H7 C9 141.0 7_545 7_545 7_545 no
C8 H7 C9 21.8 7_545 7_545 7_545 no
C8 H7 C10 120.0 7_545 7_545 7_545 no
C8 H7 H4 117.7 7_545 7_545 7_545 no
C8 H7 H4 138.6 7_545 7_545 7_545 no
C8 H7 H7 171.7 7_545 7_545 7_545 no
C8 H7 H7 8.3 7_545 7_545 7_545 no
C8 H7 H8 82.3 7_545 7_545 7_545 no
C8 H7 H8 35.9 7_545 7_545 7_545 no
C9 H7 C9 35.2 . . . no
C9 H7 C9 84.0 . . . no
C9 H7 C10 14.1 . . . no
C9 H7 H4 100.4 . . . no
C9 H7 H4 88.7 . . . no
C9 H7 H7 65.9 . . . no
C9 H7 H7 114.1 . . . no
C9 H7 H8 23.6 . . . no
C9 H7 H8 70.0 . . . no
C9 H7 C9 119.2 7 7 7 no
C9 H7 C10 21.1 7 7 7 no
C9 H7 H4 81.0 7 7 7 no
C9 H7 H4 62.5 7 7 7 no
C9 H7 H7 30.7 7 7 7 no
C9 H7 H7 149.3 7 7 7 no
C9 H7 H8 58.8 7 7 7 no
C9 H7 H8 105.1 7 7 7 no
C9 H7 C10 98.2 7_545 7_545 7_545 no
C9 H7 H4 123.0 7_545 7_545 7_545 no
C9 H7 H4 139.7 7_545 7_545 7_545 no
C9 H7 H7 149.9 7_545 7_545 7_545 no
C9 H7 H7 30.1 7_545 7_545 7_545 no
C9 H7 H8 60.5 7_545 7_545 7_545 no
C9 H7 H8 14.1 7_545 7_545 7_545 no
C10 H7 H4 92.6 . . . no
C10 H7 H4 77.9 . . . no
C10 H7 H7 51.7 . . . no
C10 H7 H7 128.3 . . . no
C10 H7 H8 37.7 . . . no
C10 H7 H8 84.1 . . . no
H4 H7 H4 21.2 . . . no
H4 H7 H7 65.9 . . . no
H4 H7 H7 114.1 . . . no
H4 H7 H8 111.1 . . . no
H4 H7 H8 123.2 . . . no
H4 H7 H7 44.6 7 7 7 no
H4 H7 H7 135.4 7 7 7 no
H4 H7 H8 105.8 7 7 7 no
H4 H7 H8 134.9 7 7 7 no
H7 H7 H7 180.0 7 7 7 no
H7 H7 H8 89.4 7 7 7 no
H7 H7 H8 135.8 7 7 7 no
H7 H7 H8 90.6 7_545 7_545 7_545 no
H7 H7 H8 44.2 7_545 7_545 7_545 no
H8 H7 H8 46.4 . . . no
CL1 H8 C5 70.0 . . . no
CL1 H8 C7 96.6 . . . no
CL1 H8 C8 111.1 . . . no
CL1 H8 C8 75.3 . . . no
CL1 H8 C8 165.4 . . . no
CL1 H8 C9 74.6 . . . no
CL1 H8 C9 53.1 . . . no
CL1 H8 C9 143.8 . . . no
CL1 H8 C9 81.9 . . . no
CL1 H8 C10 39.1 . . . no
CL1 H8 C10 101.4 . . . no
CL1 H8 H4 83.6 . . . no
CL1 H8 H4 62.7 . . . no
CL1 H8 H7 135.0 . . . no
CL1 H8 H7 178.2 . . . no
CL1 H8 H8 44.5 . . . no
CL1 H8 H8 135.5 . . . no
CL1 H8 H8 78.2 . . . no
C5 H8 C7 146.9 3_647 3_647 3_647 no
C5 H8 C8 151.6 3_647 3_647 3_647 no
C5 H8 C8 133.2 3_647 3_647 3_647 no
C5 H8 C8 98.7 3_647 3_647 3_647 no
C5 H8 C9 134.0 3_647 3_647 3_647 no
C5 H8 C9 115.4 3_647 3_647 3_647 no
C5 H8 C9 79.9 3_647 3_647 3_647 no
C5 H8 C9 109.4 3_647 3_647 3_647 no
C5 H8 C10 103.8 3_647 3_647 3_647 no
C5 H8 C10 111.6 3_647 3_647 3_647 no
C5 H8 H4 13.7 3_647 3_647 3_647 no
C5 H8 H4 10.7 3_647 3_647 3_647 no
C5 H8 H7 144.7 3_647 3_647 3_647 no
C5 H8 H7 110.7 3_647 3_647 3_647 no
C5 H8 H8 107.7 3_647 3_647 3_647 no
C5 H8 H8 72.3 3_647 3_647 3_647 no
C5 H8 H8 119.9 3_647 3_647 3_647 no
C7 H8 C8 14.5 . . . no
C7 H8 C8 21.3 . . . no
C7 H8 C8 97.8 . . . no
C7 H8 C9 22.0 . . . no
C7 H8 C9 43.5 . . . no
C7 H8 C9 119.5 . . . no
C7 H8 C9 97.9 . . . no
C7 H8 C10 57.5 . . . no
C7 H8 C10 100.5 . . . no
C7 H8 H4 151.3 . . . no
C7 H8 H4 137.0 . . . no
C7 H8 H7 38.4 . . . no
C7 H8 H7 83.6 . . . no
C7 H8 H8 52.2 . . . no
C7 H8 H8 127.8 . . . no
C7 H8 H8 84.5 . . . no
C8 H8 C8 35.8 . . . no
C8 H8 C8 83.3 . . . no
C8 H8 C9 36.4 . . . no
C8 H8 C9 58.0 . . . no
C8 H8 C9 105.0 . . . no
C8 H8 C9 98.7 . . . no
C8 H8 C10 72.0 . . . no
C8 H8 C10 96.3 . . . no
C8 H8 H4 149.2 . . . no
C8 H8 H4 144.0 . . . no
C8 H8 H7 24.0 . . . no
C8 H8 H7 69.2 . . . no
C8 H8 H8 66.6 . . . no
C8 H8 H8 113.4 . . . no
C8 H8 H8 87.1 . . . no
C8 H8 C8 119.1 7 7 7 no
C8 H8 C9 2.0 7 7 7 no
C8 H8 C9 22.2 7 7 7 no
C8 H8 C9 140.8 7 7 7 no
C8 H8 C9 95.4 7 7 7 no
C8 H8 C10 36.2 7 7 7 no
C8 H8 C10 105.2 7 7 7 no
C8 H8 H4 143.8 7 7 7 no
C8 H8 H4 122.5 7 7 7 no
C8 H8 H7 59.7 7 7 7 no
C8 H8 H7 104.9 7 7 7 no
C8 H8 H8 30.9 7 7 7 no
C8 H8 H8 149.1 7 7 7 no
C8 H8 H8 81.0 7 7 7 no
C8 H8 C9 119.7 7_545 7_545 7_545 no
C8 H8 C9 141.4 7_545 7_545 7_545 no
C8 H8 C9 21.7 7_545 7_545 7_545 no
C8 H8 C9 93.8 7_545 7_545 7_545 no
C8 H8 C10 155.3 7_545 7_545 7_545 no
C8 H8 C10 73.6 7_545 7_545 7_545 no
C8 H8 H4 84.9 7_545 7_545 7_545 no
C8 H8 H4 107.3 7_545 7_545 7_545 no
C8 H8 H7 59.4 7_545 7_545 7_545 no
C8 H8 H7 14.2 7_545 7_545 7_545 no
C8 H8 H8 150.0 7_545 7_545 7_545 no
C8 H8 H8 30.0 7_545 7_545 7_545 no
C8 H8 H8 100.9 7_545 7_545 7_545 no
C9 H8 C9 21.7 . . . no
C9 H8 C9 141.3 . . . no
C9 H8 C9 93.5 . . . no
C9 H8 C10 35.6 . . . no
C9 H8 C10 103.5 . . . no
C9 H8 H4 145.0 . . . no
C9 H8 H4 123.2 . . . no
C9 H8 H7 60.4 . . . no
C9 H8 H7 105.6 . . . no
C9 H8 H8 30.3 . . . no
C9 H8 H8 149.7 . . . no
C9 H8 H8 79.1 . . . no
C9 H8 C9 163.0 7 7 7 no
C9 H8 C9 91.7 7 7 7 no
C9 H8 C10 14.0 7 7 7 no
C9 H8 C10 107.5 7 7 7 no
C9 H8 H4 128.3 7 7 7 no
C9 H8 H4 105.1 7 7 7 no
C9 H8 H7 82.0 7 7 7 no
C9 H8 H7 127.2 7 7 7 no
C9 H8 H8 8.6 7 7 7 no
C9 H8 H8 171.4 7 7 7 no
C9 H8 H8 78.3 7 7 7 no
C9 H8 C9 89.9 7_545 7_545 7_545 no
C9 H8 C10 176.3 7_545 7_545 7_545 no
C9 H8 C10 71.1 7_545 7_545 7_545 no
C9 H8 H4 66.4 7_545 7_545 7_545 no
C9 H8 H4 89.6 7_545 7_545 7_545 no
C9 H8 H7 81.1 7_545 7_545 7_545 no
C9 H8 H7 35.9 7_545 7_545 7_545 no
C9 H8 H8 171.7 7_545 7_545 7_545 no
C9 H8 H8 8.3 7_545 7_545 7_545 no
C9 H8 H8 101.1 7_545 7_545 7_545 no
C9 H8 C10 88.5 5_656 5_656 5_656 no
C9 H8 C10 20.2 5_656 5_656 5_656 no
C9 H8 H4 110.4 5_656 5_656 5_656 no
C9 H8 H4 114.2 5_656 5_656 5_656 no
C9 H8 H7 100.0 5_656 5_656 5_656 no
C9 H8 H7 96.3 5_656 5_656 5_656 no
C9 H8 H8 90.9 5_656 5_656 5_656 no
C9 H8 H8 89.1 5_656 5_656 5_656 no
C9 H8 H8 14.4 5_656 5_656 5_656 no
C10 H8 C10 106.9 . . . no
C10 H8 H4 117.3 . . . no
C10 H8 H4 94.1 . . . no
C10 H8 H7 95.9 . . . no
C10 H8 H7 141.1 . . . no
C10 H8 H8 5.6 . . . no
C10 H8 H8 174.4 . . . no
C10 H8 H8 76.8 . . . no
C10 H8 H4 107.6 3_646 3_646 3_646 no
C10 H8 H4 119.7 3_646 3_646 3_646 no
C10 H8 H7 89.7 3_646 3_646 3_646 no
C10 H8 H7 76.8 3_646 3_646 3_646 no
C10 H8 H8 108.4 3_646 3_646 3_646 no
C10 H8 H8 71.6 3_646 3_646 3_646 no
C10 H8 H8 30.1 3_646 3_646 3_646 no
H4 H8 H4 23.3 3_647 3_647 3_647 no
H4 H8 H7 134.5 3_647 3_647 3_647 no
H4 H8 H7 97.1 3_647 3_647 3_647 no
H4 H8 H8 120.9 3_647 3_647 3_647 no
H4 H8 H8 59.1 3_647 3_647 3_647 no
H4 H8 H8 123.2 3_647 3_647 3_647 no
H4 H8 H7 144.5 5_657 5_657 5_657 no
H4 H8 H7 118.2 5_657 5_657 5_657 no
H4 H8 H8 97.6 5_657 5_657 5_657 no
H4 H8 H8 82.4 5_657 5_657 5_657 no
H4 H8 H8 122.7 5_657 5_657 5_657 no
H7 H8 H7 45.2 . . . no
H7 H8 H8 90.6 . . . no
H7 H8 H8 89.4 . . . no
H7 H8 H8 92.8 . . . no
H7 H8 H8 135.8 7_545 7_545 7_545 no
H7 H8 H8 44.2 7_545 7_545 7_545 no
H7 H8 H8 100.1 7_545 7_545 7_545 no
H8 H8 H8 180.0 7 7 7 no
H8 H8 H8 78.5 7 7 7 no
H8 H8 H8 101.5 7_545 7_545 7_545 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
CL1 C9 2.662(6) . . ?
CL1 C9 2.662(6) . . ?
CL1 C10 1.744(7) . . ?
O1 O2 3.541(3) . . ?
O1 O2 3.541(3) . . ?
O1 O3 3.309(6) . . ?
O1 C1 1.215(7) . . ?
O2 O3 2.138(7) . . ?
O2 O4 2.120(7) . . ?
O2 N3 1.212(7) . . ?
O3 O4 2.158(7) . . ?
O3 N3 1.264(6) . . ?
O3 H1 1.90 . . no
O4 N3 1.228(7) . . ?
N1 C1 1.387(8) . . ?
N1 C4 1.355(9) . . ?
N1 C7 1.452(7) . . ?
N2 C1 1.399(8) . . ?
N2 C2 1.332(8) . . ?
N2 H1 0.94 . . no
C2 C3 1.356(9) . . ?
C2 C6 1.490(8) . . ?
C3 C4 1.375(9) . . ?
C3 H2 0.95 . . no
C4 C5 1.471(9) . . ?
C5 H3 0.96 . . no
C5 H4 0.95 . . no
C5 H4 0.95 . . no
C6 H5 0.93 . . no
C6 H6 0.95 . . no
C6 H6 0.95 . . no
C7 C8 1.333(6) . . ?
C7 C8 1.333(6) . . ?
C8 C9 1.392(6) . . ?
C8 H7 0.95 . . no
C9 C10 1.326(7) . . ?
C9 H8 0.94 . . no
C10 H8 1.97 . . no
C10 H8 1.97 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
? ? ? ? ? ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
