#------------------------------------------------------------------------------
#$Date: 2017-03-05 21:59:09 +0200 (Sun, 05 Mar 2017) $
#$Revision: 193981 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/25/7052519.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_7052519
_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_compound_source        'Local laboratory'
_chemical_formula_moiety         'C12 H13 Cl N2 O '
_chemical_formula_sum            'C12 H13 Cl N2 O'
_chemical_formula_weight         236.70
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_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            2
_cell_length_a                   6.801(1)
_cell_length_b                   12.199(1)
_cell_length_c                   7.327(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.0
_cell_measurement_theta_min      10.0
_cell_volume                     607.89(13)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
_computing_structure_refinement  'teXsan for Windows (MSC, 1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1993)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.00890
_diffrn_orient_matrix_UB_12      -0.07677
_diffrn_orient_matrix_UB_13      0.04710
_diffrn_orient_matrix_UB_21      -0.14332
_diffrn_orient_matrix_UB_22      -0.01065
_diffrn_orient_matrix_UB_23      -0.02477
_diffrn_orient_matrix_UB_31      0.03157
_diffrn_orient_matrix_UB_32      -0.02669
_diffrn_orient_matrix_UB_33      -0.12568
_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  0.014
_diffrn_reflns_av_sigmaI/netI    0.020
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2150
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         32.96
_diffrn_reflns_theta_min         3.34
_diffrn_standards_decay_%        -0.32
_diffrn_standards_interval_count '7200 s'
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.294
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_meas      ?
_exptl_crystal_description       NONE
_exptl_crystal_F_000             248.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.008
_refine_ls_goodness_of_fit_ref   2.010
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     90
_refine_ls_number_reflns         1105
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00040|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0520
_refine_ls_wR_factor_ref         0.0520
_reflns_number_gt                1105
_reflns_number_total             1654
_reflns_threshold_expression     I>2.50σ(I)
_cod_data_source_file            b104646m.txt
_cod_data_source_block           '_1H.HCl____'
_cod_depositor_comments
;
 Changing the values of the '_geom_angle_atom_site_label_1',
 '_geom_angle_atom_site_label_2', '_geom_angle_atom_site_label_3' and
 '_geom_bond_atom_site_label_1' data items to match those of the
 '_atom_site_label' data item in order to relate data from different loops.

 Antanas Vaitkus,
 2017-03-04

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

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

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

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

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

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

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

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

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 
;
_cod_original_cell_volume        607.9(1)
_cod_original_sg_symbol_H-M      'P m n 21   '
_cod_original_formula_sum        'C12 H13 Cl N2 O '
_cod_database_code               7052519
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   +y,   +z'
'1/2-x,   -y,1/2+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
Cl1 1.5000 0.32686(4) 0.6755 0.05670(13) 1.0 ST Uani d ?
O1 1.0000 0.36470(13) 1.1147(2) 0.0649(5) 1.0 ST Uani d ?
N1 1.0000 0.30690(10) 0.8170(2) 0.0366(3) 1.0 ST Uani d ?
N2 1.0000 0.49290(11) 0.8903(2) 0.0426(3) 1.0 ST Uani d ?
C1 1.0000 0.38697(13) 0.9533(3) 0.0423(4) 1.0 ST Uani d ?
C2 1.0000 0.52114(13) 0.7146(3) 0.0384(4) 1.0 ST Uani d ?
C3 1.0000 0.44011(12) 0.5833(3) 0.0386(4) 1.0 ST Uani d ?
C4 1.0000 0.33148(11) 0.6369(2) 0.0360(4) 1.0 ST Uani d ?
C5 1.0000 0.2414(2) 0.5025(3) 0.0522(5) 1.0 ST Uani d ?
C6 1.0000 0.64167(13) 0.6746(4) 0.0547(5) 1.0 ST Uani d ?
C7 1.0000 0.19420(12) 0.8818(3) 0.0410(4) 1.0 ST Uani d ?
C8 1.1767(2) 0.14426(10) 0.9164(3) 0.0635(4) 1.000 . Uani d ?
C9 1.1736(3) 0.03725(13) 0.9833(4) 0.0838(7) 1.000 . Uani d ?
C10 1.0000 -0.0173(2) 1.0129(6) 0.0770(8) 1.0 ST Uani d ?
H1 1.0000 0.5527 0.9500 0.057 1.0 S Uiso d ?
H2 1.1203 0.6729 0.7153 0.057 1.000 . Uiso c ?
H3 1.0000 0.6530 0.5473 0.057 1.0 S Uiso d ?
H4 1.0000 0.4588 0.4572 0.057 1.0 S Uiso d ?
H5 1.0000 0.2714 0.3826 0.057 1.0 S Uiso d ?
H6 1.1140 0.1977 0.5189 0.057 1.000 . Uiso c ?
H7 1.2977 0.1812 0.8957 0.057 1.000 . Uiso c ?
H8 1.2941 0.0011 1.0085 0.057 1.000 . Uiso c ?
H9 1.0000 -0.0904 1.0585 0.057 1.0 S Uiso d ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 24 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
H 0 26 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N 0 4 0.004 0.003
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O 0 2 0.008 0.006
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Cl 0 2 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
3 3 3
-3 -3 -3
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
O1 Cl1 N1 95.89(3) 3_764 3_764 3_764 ?
O1 Cl1 N1 95.90(3) 3_764 3_764 3_764 ?
O1 Cl1 N2 36.86(5) 3_764 3_764 3_764 ?
O1 Cl1 C1 18.29(5) 3_764 3_764 3_764 ?
O1 Cl1 C2 54.54(5) 3_764 3_764 3_764 ?
O1 Cl1 C3 67.06(3) 3_764 3_764 3_764 ?
O1 Cl1 C3 67.06(3) 3_764 3_764 3_764 ?
O1 Cl1 C4 88.50(4) 3_764 3_764 3_764 ?
O1 Cl1 C4 88.50(4) 3_764 3_764 3_764 ?
O1 Cl1 C5 103.59(5) 3_764 3_764 3_764 ?
O1 Cl1 C5 103.59(5) 3_764 3_764 3_764 ?
O1 Cl1 C6 77.24(5) 3_764 3_764 3_764 ?
O1 Cl1 C6 90.74(5) 3_764 3_764 3_764 ?
O1 Cl1 C8 132.43(4) 3_764 3_764 3_764 ?
O1 Cl1 C8 132.43(4) 3_764 3_764 3_764 ?
O1 Cl1 C10 155.62(9) 3_764 3_764 3_764 ?
O1 Cl1 H1 44.4(16) 3_764 3_764 3_764 no
O1 Cl1 H2 85.2(4) 3_764 3_764 3_764 no
O1 Cl1 H2 85.2(4) 3_764 3_764 3_764 no
O1 Cl1 H3 92.6(10) 3_764 3_764 3_764 no
O1 Cl1 H4 44.9(7) 3_764 3_764 3_764 no
O1 Cl1 H6 115.7(6) 3_764 3_764 3_764 no
O1 Cl1 H6 115.7(6) 3_764 3_764 3_764 no
O1 Cl1 H7 135.7(5) 3_764 3_764 3_764 no
O1 Cl1 H7 135.7(5) 3_764 3_764 3_764 no
O1 Cl1 H9 152.7(10) 3_764 3_764 3_764 no
N1 Cl1 N1 145.26(6) . . . ?
N1 Cl1 N2 104.50(3) . . . ?
N1 Cl1 C1 100.69(3) . . . ?
N1 Cl1 C2 106.74(3) . . . ?
N1 Cl1 C3 37.72(4) . . . ?
N1 Cl1 C3 161.34(5) . . . ?
N1 Cl1 C4 22.23(4) . . . ?
N1 Cl1 C4 167.49(5) . . . ?
N1 Cl1 C5 38.64(5) . . . ?
N1 Cl1 C5 159.70(5) . . . ?
N1 Cl1 C6 107.23(3) . . . ?
N1 Cl1 C6 73.64(3) . . . ?
N1 Cl1 C8 39.77(4) . . . ?
N1 Cl1 C8 113.45(5) . . . ?
N1 Cl1 C10 91.27(4) . . . ?
N1 Cl1 H1 105.6(2) . . . no
N1 Cl1 H2 120.1(6) . . . no
N1 Cl1 H2 93.4(6) . . . no
N1 Cl1 H3 73.46(10) . . . no
N1 Cl1 H4 82.8(2) . . . no
N1 Cl1 H6 45.6(7) . . . no
N1 Cl1 H6 146.9(5) . . . no
N1 Cl1 H7 47.5(6) . . . no
N1 Cl1 H7 104.2(7) . . . no
N1 Cl1 H9 92.1(3) . . . no
N1 Cl1 N2 104.50(3) 1_655 1_655 1_655 ?
N1 Cl1 C1 100.69(3) 1_655 1_655 1_655 ?
N1 Cl1 C2 106.73(3) 1_655 1_655 1_655 ?
N1 Cl1 C3 161.34(5) 1_655 1_655 1_655 ?
N1 Cl1 C3 37.72(4) 1_655 1_655 1_655 ?
N1 Cl1 C4 167.49(5) 1_655 1_655 1_655 ?
N1 Cl1 C4 22.23(4) 1_655 1_655 1_655 ?
N1 Cl1 C5 159.69(5) 1_655 1_655 1_655 ?
N1 Cl1 C5 38.64(5) 1_655 1_655 1_655 ?
N1 Cl1 C6 107.22(3) 1_655 1_655 1_655 ?
N1 Cl1 C6 73.65(3) 1_655 1_655 1_655 ?
N1 Cl1 C8 113.45(5) 1_655 1_655 1_655 ?
N1 Cl1 C8 39.77(4) 1_655 1_655 1_655 ?
N1 Cl1 C10 91.27(4) 1_655 1_655 1_655 ?
N1 Cl1 H1 105.6(2) 1_655 1_655 1_655 no
N1 Cl1 H2 93.4(6) 1_655 1_655 1_655 no
N1 Cl1 H2 120.1(6) 1_655 1_655 1_655 no
N1 Cl1 H3 73.47(10) 1_655 1_655 1_655 no
N1 Cl1 H4 82.8(2) 1_655 1_655 1_655 no
N1 Cl1 H6 146.9(5) 1_655 1_655 1_655 no
N1 Cl1 H6 45.6(7) 1_655 1_655 1_655 no
N1 Cl1 H7 104.2(7) 1_655 1_655 1_655 no
N1 Cl1 H7 47.5(6) 1_655 1_655 1_655 no
N1 Cl1 H9 92.1(3) 1_655 1_655 1_655 no
N2 Cl1 C1 18.57(5) 3_764 3_764 3_764 ?
N2 Cl1 C2 17.67(5) 3_764 3_764 3_764 ?
N2 Cl1 C3 66.83(3) 3_764 3_764 3_764 ?
N2 Cl1 C3 66.82(3) 3_764 3_764 3_764 ?
N2 Cl1 C4 86.03(4) 3_764 3_764 3_764 ?
N2 Cl1 C4 86.02(4) 3_764 3_764 3_764 ?
N2 Cl1 C5 88.20(5) 3_764 3_764 3_764 ?
N2 Cl1 C5 88.20(5) 3_764 3_764 3_764 ?
N2 Cl1 C6 40.37(5) 3_764 3_764 3_764 ?
N2 Cl1 C6 127.60(6) 3_764 3_764 3_764 ?
N2 Cl1 C8 142.01(4) 3_764 3_764 3_764 ?
N2 Cl1 C8 142.00(4) 3_764 3_764 3_764 ?
N2 Cl1 C10 118.76(10) 3_764 3_764 3_764 ?
N2 Cl1 H1 7.5(16) 3_764 3_764 3_764 no
N2 Cl1 H2 49.5(4) 3_764 3_764 3_764 no
N2 Cl1 H2 49.5(4) 3_764 3_764 3_764 no
N2 Cl1 H3 129.4(10) 3_764 3_764 3_764 no
N2 Cl1 H4 81.8(7) 3_764 3_764 3_764 no
N2 Cl1 H6 96.0(7) 3_764 3_764 3_764 no
N2 Cl1 H6 96.0(7) 3_764 3_764 3_764 no
N2 Cl1 H7 151.2(7) 3_764 3_764 3_764 no
N2 Cl1 H7 151.2(7) 3_764 3_764 3_764 no
N2 Cl1 H9 115.9(10) 3_764 3_764 3_764 no
C1 Cl1 C2 36.24(5) 3_764 3_764 3_764 ?
C1 Cl1 C3 65.62(3) 3_764 3_764 3_764 ?
C1 Cl1 C3 65.62(3) 3_764 3_764 3_764 ?
C1 Cl1 C4 87.13(4) 3_764 3_764 3_764 ?
C1 Cl1 C4 87.12(4) 3_764 3_764 3_764 ?
C1 Cl1 C5 96.22(5) 3_764 3_764 3_764 ?
C1 Cl1 C5 96.22(5) 3_764 3_764 3_764 ?
C1 Cl1 C6 58.94(5) 3_764 3_764 3_764 ?
C1 Cl1 C6 109.03(5) 3_764 3_764 3_764 ?
C1 Cl1 C8 140.40(3) 3_764 3_764 3_764 ?
C1 Cl1 C8 140.40(3) 3_764 3_764 3_764 ?
C1 Cl1 C10 137.33(10) 3_764 3_764 3_764 ?
C1 Cl1 H1 26.1(16) 3_764 3_764 3_764 no
C1 Cl1 H2 67.4(4) 3_764 3_764 3_764 no
C1 Cl1 H2 67.4(4) 3_764 3_764 3_764 no
C1 Cl1 H3 110.9(10) 3_764 3_764 3_764 no
C1 Cl1 H4 63.2(7) 3_764 3_764 3_764 no
C1 Cl1 H6 106.5(6) 3_764 3_764 3_764 no
C1 Cl1 H6 106.5(6) 3_764 3_764 3_764 no
C1 Cl1 H7 146.9(5) 3_764 3_764 3_764 no
C1 Cl1 H7 147.0(5) 3_764 3_764 3_764 no
C1 Cl1 H9 134.4(10) 3_764 3_764 3_764 no
C2 Cl1 C3 70.30(4) 3_764 3_764 3_764 ?
C2 Cl1 C3 70.30(4) 3_764 3_764 3_764 ?
C2 Cl1 C4 85.37(4) 3_764 3_764 3_764 ?
C2 Cl1 C4 85.36(4) 3_764 3_764 3_764 ?
C2 Cl1 C5 80.70(5) 3_764 3_764 3_764 ?
C2 Cl1 C5 80.70(5) 3_764 3_764 3_764 ?
C2 Cl1 C6 22.70(5) 3_764 3_764 3_764 ?
C2 Cl1 C6 145.28(5) 3_764 3_764 3_764 ?
C2 Cl1 C8 136.76(5) 3_764 3_764 3_764 ?
C2 Cl1 C8 136.76(5) 3_764 3_764 3_764 ?
C2 Cl1 C10 101.08(9) 3_764 3_764 3_764 ?
C2 Cl1 H1 10.2(16) 3_764 3_764 3_764 no
C2 Cl1 H2 33.0(4) 3_764 3_764 3_764 no
C2 Cl1 H2 33.0(4) 3_764 3_764 3_764 no
C2 Cl1 H3 147.1(10) 3_764 3_764 3_764 no
C2 Cl1 H4 99.4(7) 3_764 3_764 3_764 no
C2 Cl1 H6 85.5(8) 3_764 3_764 3_764 no
C2 Cl1 H6 85.5(8) 3_764 3_764 3_764 no
C2 Cl1 H7 145.8(7) 3_764 3_764 3_764 no
C2 Cl1 H7 145.8(7) 3_764 3_764 3_764 no
C2 Cl1 H9 98.2(10) 3_764 3_764 3_764 no
C3 Cl1 C3 131.23(6) . . . ?
C3 Cl1 C4 21.77(4) . . . ?
C3 Cl1 C4 152.41(5) . . . ?
C3 Cl1 C5 38.89(5) . . . ?
C3 Cl1 C5 149.54(6) . . . ?
C3 Cl1 C6 77.36(4) . . . ?
C3 Cl1 C6 98.11(4) . . . ?
C3 Cl1 C8 76.27(5) . . . ?
C3 Cl1 C8 151.16(5) . . . ?
C3 Cl1 C10 107.39(5) . . . ?
C3 Cl1 H1 68.0(3) . . . no
C3 Cl1 H2 92.7(5) . . . no
C3 Cl1 H2 67.9(6) . . . no
C3 Cl1 H3 98.8(4) . . . no
C3 Cl1 H4 79.6(3) . . . no
C3 Cl1 H6 51.7(5) . . . no
C3 Cl1 H6 147.9(8) . . . no
C3 Cl1 H7 84.8(6) . . . no
C3 Cl1 H7 141.9(7) . . . no
C3 Cl1 H9 106.5(3) . . . no
C3 Cl1 C4 152.41(5) 1_655 1_655 1_655 ?
C3 Cl1 C4 21.77(4) 1_655 1_655 1_655 ?
C3 Cl1 C5 149.54(6) 1_655 1_655 1_655 ?
C3 Cl1 C5 38.89(5) 1_655 1_655 1_655 ?
C3 Cl1 C6 77.35(4) 1_655 1_655 1_655 ?
C3 Cl1 C6 98.12(4) 1_655 1_655 1_655 ?
C3 Cl1 C8 151.16(5) 1_655 1_655 1_655 ?
C3 Cl1 C8 76.27(5) 1_655 1_655 1_655 ?
C3 Cl1 C10 107.38(5) 1_655 1_655 1_655 ?
C3 Cl1 H1 68.0(3) 1_655 1_655 1_655 no
C3 Cl1 H2 67.9(6) 1_655 1_655 1_655 no
C3 Cl1 H2 92.6(5) 1_655 1_655 1_655 no
C3 Cl1 H3 98.8(4) 1_655 1_655 1_655 no
C3 Cl1 H4 79.6(3) 1_655 1_655 1_655 no
C3 Cl1 H6 147.9(8) 1_655 1_655 1_655 no
C3 Cl1 H6 51.7(5) 1_655 1_655 1_655 no
C3 Cl1 H7 141.9(7) 1_655 1_655 1_655 no
C3 Cl1 H7 84.8(6) 1_655 1_655 1_655 no
C3 Cl1 H9 106.5(3) 1_655 1_655 1_655 no
C4 Cl1 C4 170.27(7) . . . ?
C4 Cl1 C5 22.98(5) . . . ?
C4 Cl1 C5 150.92(6) . . . ?
C4 Cl1 C6 85.16(4) . . . ?
C4 Cl1 C6 94.64(4) . . . ?
C4 Cl1 C8 56.08(5) . . . ?
C4 Cl1 C8 131.30(5) . . . ?
C4 Cl1 C10 89.46(4) . . . ?
C4 Cl1 H1 85.70(7) . . . no
C4 Cl1 H2 98.7(6) . . . no
C4 Cl1 H2 71.9(6) . . . no
C4 Cl1 H3 94.68(5) . . . no
C4 Cl1 H4 92.20(6) . . . no
C4 Cl1 H6 34.6(6) . . . no
C4 Cl1 H6 141.3(6) . . . no
C4 Cl1 H7 65.1(7) . . . no
C4 Cl1 H7 122.7(6) . . . no
C4 Cl1 H9 89.22(9) . . . no
C4 Cl1 C5 150.92(6) 1_655 1_655 1_655 ?
C4 Cl1 C5 22.98(5) 1_655 1_655 1_655 ?
C4 Cl1 C6 85.15(4) 1_655 1_655 1_655 ?
C4 Cl1 C6 94.65(4) 1_655 1_655 1_655 ?
C4 Cl1 C8 131.30(5) 1_655 1_655 1_655 ?
C4 Cl1 C8 56.09(5) 1_655 1_655 1_655 ?
C4 Cl1 C10 89.46(4) 1_655 1_655 1_655 ?
C4 Cl1 H1 85.69(7) 1_655 1_655 1_655 no
C4 Cl1 H2 71.9(6) 1_655 1_655 1_655 no
C4 Cl1 H2 98.7(6) 1_655 1_655 1_655 no
C4 Cl1 H3 94.69(5) 1_655 1_655 1_655 no
C4 Cl1 H4 92.21(6) 1_655 1_655 1_655 no
C4 Cl1 H6 141.3(6) 1_655 1_655 1_655 no
C4 Cl1 H6 34.6(6) 1_655 1_655 1_655 no
C4 Cl1 H7 122.7(6) 1_655 1_655 1_655 no
C4 Cl1 H7 65.1(7) 1_655 1_655 1_655 no
C4 Cl1 H9 89.21(9) 1_655 1_655 1_655 no
C5 Cl1 C5 128.45(8) . . . ?
C5 Cl1 C6 72.26(5) . . . ?
C5 Cl1 C6 111.26(5) . . . ?
C5 Cl1 C8 56.11(6) . . . ?
C5 Cl1 C8 122.90(6) . . . ?
C5 Cl1 C10 68.59(5) . . . ?
C5 Cl1 H1 85.0(7) . . . no
C5 Cl1 H2 82.8(6) . . . no
C5 Cl1 H2 57.1(5) . . . no
C5 Cl1 H3 110.8(3) . . . no
C5 Cl1 H4 115.13(8) . . . no
C5 Cl1 H6 12.8(5) . . . no
C5 Cl1 H6 118.4(6) . . . no
C5 Cl1 H7 65.3(7) . . . no
C5 Cl1 H7 116.8(6) . . . no
C5 Cl1 H9 67.9(2) . . . no
C5 Cl1 C6 72.25(5) 1_655 1_655 1_655 ?
C5 Cl1 C6 111.27(5) 1_655 1_655 1_655 ?
C5 Cl1 C8 122.90(6) 1_655 1_655 1_655 ?
C5 Cl1 C8 56.11(6) 1_655 1_655 1_655 ?
C5 Cl1 C10 68.59(5) 1_655 1_655 1_655 ?
C5 Cl1 H1 85.0(7) 1_655 1_655 1_655 no
C5 Cl1 H2 57.1(5) 1_655 1_655 1_655 no
C5 Cl1 H2 82.8(6) 1_655 1_655 1_655 no
C5 Cl1 H3 110.8(3) 1_655 1_655 1_655 no
C5 Cl1 H4 115.14(8) 1_655 1_655 1_655 no
C5 Cl1 H6 118.4(6) 1_655 1_655 1_655 no
C5 Cl1 H6 12.8(5) 1_655 1_655 1_655 no
C5 Cl1 H7 116.8(6) 1_655 1_655 1_655 no
C5 Cl1 H7 65.3(7) 1_655 1_655 1_655 no
C5 Cl1 H9 67.9(2) 1_655 1_655 1_655 no
C6 Cl1 C6 167.98(7) 3_764 3_764 3_764 ?
C6 Cl1 C8 123.55(6) 3_764 3_764 3_764 ?
C6 Cl1 C8 123.55(6) 3_764 3_764 3_764 ?
C6 Cl1 C10 78.38(9) 3_764 3_764 3_764 ?
C6 Cl1 H1 32.9(16) 3_764 3_764 3_764 no
C6 Cl1 H2 15.5(5) 3_764 3_764 3_764 no
C6 Cl1 H2 15.5(5) 3_764 3_764 3_764 no
C6 Cl1 H3 169.8(10) 3_764 3_764 3_764 no
C6 Cl1 H4 122.1(7) 3_764 3_764 3_764 no
C6 Cl1 H6 72.6(8) 3_764 3_764 3_764 no
C6 Cl1 H6 72.6(8) 3_764 3_764 3_764 no
C6 Cl1 H7 130.6(7) 3_764 3_764 3_764 no
C6 Cl1 H7 130.6(7) 3_764 3_764 3_764 no
C6 Cl1 H9 75.5(10) 3_764 3_764 3_764 no
C6 Cl1 C8 65.00(6) 3_765 3_765 3_765 ?
C6 Cl1 C8 65.01(6) 3_765 3_765 3_765 ?
C6 Cl1 C10 113.64(9) 3_765 3_765 3_765 ?
C6 Cl1 H1 135.1(16) 3_765 3_765 3_765 no
C6 Cl1 H2 166.0(6) 3_765 3_765 3_765 no
C6 Cl1 H2 166.0(6) 3_765 3_765 3_765 no
C6 Cl1 H3 1.8(10) 3_765 3_765 3_765 no
C6 Cl1 H4 45.8(7) 3_765 3_765 3_765 no
C6 Cl1 H6 113.5(8) 3_765 3_765 3_765 no
C6 Cl1 H6 113.5(8) 3_765 3_765 3_765 no
C6 Cl1 H7 59.0(7) 3_765 3_765 3_765 no
C6 Cl1 H7 59.0(7) 3_765 3_765 3_765 no
C6 Cl1 H9 116.5(10) 3_765 3_765 3_765 no
C8 Cl1 C8 75.35(7) . . . ?
C8 Cl1 C10 63.66(7) . . . ?
C8 Cl1 H1 140.5(4) . . . no
C8 Cl1 H2 126.9(5) . . . no
C8 Cl1 H2 108.4(5) . . . no
C8 Cl1 H3 63.7(8) . . . no
C8 Cl1 H4 100.7(5) . . . no
C8 Cl1 H6 51.9(8) . . . no
C8 Cl1 H6 111.5(6) . . . no
C8 Cl1 H7 9.4(7) . . . no
C8 Cl1 H7 66.6(6) . . . no
C8 Cl1 H9 65.8(7) . . . no
C8 Cl1 C10 63.66(7) 2_855 2_855 2_855 ?
C8 Cl1 H1 140.5(4) 2_855 2_855 2_855 no
C8 Cl1 H2 108.4(5) 2_855 2_855 2_855 no
C8 Cl1 H2 126.8(5) 2_855 2_855 2_855 no
C8 Cl1 H3 63.7(8) 2_855 2_855 2_855 no
C8 Cl1 H4 100.7(5) 2_855 2_855 2_855 no
C8 Cl1 H6 111.5(6) 2_855 2_855 2_855 no
C8 Cl1 H6 51.9(8) 2_855 2_855 2_855 no
C8 Cl1 H7 66.6(6) 2_855 2_855 2_855 no
C8 Cl1 H7 9.4(7) 2_855 2_855 2_855 no
C8 Cl1 H9 65.8(7) 2_855 2_855 2_855 no
C10 Cl1 H1 111.2(16) 3_754 3_754 3_754 no
C10 Cl1 H2 71.1(4) 3_754 3_754 3_754 no
C10 Cl1 H2 71.1(4) 3_754 3_754 3_754 no
C10 Cl1 H3 111.8(10) 3_754 3_754 3_754 no
C10 Cl1 H4 159.5(7) 3_754 3_754 3_754 no
C10 Cl1 H6 55.8(5) 3_754 3_754 3_754 no
C10 Cl1 H6 55.8(5) 3_754 3_754 3_754 no
C10 Cl1 H7 63.7(6) 3_754 3_754 3_754 no
C10 Cl1 H7 63.7(6) 3_754 3_754 3_754 no
C10 Cl1 H9 2.9(10) 3_754 3_754 3_754 no
H1 Cl1 H2 42.4(15) 3_764 3_764 3_764 no
H1 Cl1 H2 42.4(15) 3_764 3_764 3_764 no
H1 Cl1 H3 136.9(21) 3_764 3_764 3_764 no
H1 Cl1 H4 89.3(19) 3_764 3_764 3_764 no
H1 Cl1 H6 91.5(12) 3_764 3_764 3_764 no
H1 Cl1 H6 91.5(12) 3_764 3_764 3_764 no
H1 Cl1 H7 149.9(8) 3_764 3_764 3_764 no
H1 Cl1 H7 149.9(8) 3_764 3_764 3_764 no
H1 Cl1 H9 108.3(18) 3_764 3_764 3_764 no
H2 Cl1 H2 26.8(11) 4_564 4_564 4_564 no
H2 Cl1 H3 166.4(6) 4_564 4_564 4_564 no
H2 Cl1 H4 128.6(8) 4_564 4_564 4_564 no
H2 Cl1 H6 80.3(9) 4_564 4_564 4_564 no
H2 Cl1 H6 57.1(9) 4_564 4_564 4_564 no
H2 Cl1 H7 131.5(8) 4_564 4_564 4_564 no
H2 Cl1 H7 116.0(9) 4_564 4_564 4_564 no
H2 Cl1 H9 68.3(10) 4_564 4_564 4_564 no
H2 Cl1 H3 166.4(6) 3_764 3_764 3_764 no
H2 Cl1 H4 128.6(8) 3_764 3_764 3_764 no
H2 Cl1 H6 57.2(9) 3_764 3_764 3_764 no
H2 Cl1 H6 80.3(9) 3_764 3_764 3_764 no
H2 Cl1 H7 116.0(9) 3_764 3_764 3_764 no
H2 Cl1 H7 131.5(8) 3_764 3_764 3_764 no
H2 Cl1 H9 68.3(10) 3_764 3_764 3_764 no
H3 Cl1 H4 47.6(12) 3_765 3_765 3_765 no
H3 Cl1 H6 112.7(10) 3_765 3_765 3_765 no
H3 Cl1 H6 112.7(10) 3_765 3_765 3_765 no
H3 Cl1 H7 57.5(10) 3_765 3_765 3_765 no
H3 Cl1 H7 57.5(10) 3_765 3_765 3_765 no
H3 Cl1 H9 114.7(14) 3_765 3_765 3_765 no
H4 Cl1 H6 126.4(6) 3_765 3_765 3_765 no
H4 Cl1 H6 126.4(6) 3_765 3_765 3_765 no
H4 Cl1 H7 98.6(9) 3_765 3_765 3_765 no
H4 Cl1 H7 98.6(9) 3_765 3_765 3_765 no
H4 Cl1 H9 162.4(11) 3_765 3_765 3_765 no
H6 Cl1 H6 107.2(12) . . . no
H6 Cl1 H7 60.4(10) . . . no
H6 Cl1 H7 106.4(8) . . . no
H6 Cl1 H9 55.2(6) . . . no
H6 Cl1 H7 106.4(8) 2_855 2_855 2_855 no
H6 Cl1 H7 60.4(10) 2_855 2_855 2_855 no
H6 Cl1 H9 55.2(6) 2_855 2_855 2_855 no
H7 Cl1 H7 57.6(13) . . . no
H7 Cl1 H9 66.2(10) . . . no
H7 Cl1 H9 66.2(10) 2_855 2_855 2_855 no
Cl1 O1 N1 114.67(8) 3_765 3_765 3_765 ?
Cl1 O1 N2 53.09(7) 3_765 3_765 3_765 ?
Cl1 O1 C1 83.7(2) 3_765 3_765 3_765 ?
Cl1 O1 C2 63.68(5) 3_765 3_765 3_765 ?
Cl1 O1 C2 66.96(5) 3_765 3_765 3_765 ?
Cl1 O1 C2 66.96(5) 3_765 3_765 3_765 ?
Cl1 O1 C3 68.18(6) 3_765 3_765 3_765 ?
Cl1 O1 C4 103.33(6) 3_765 3_765 3_765 ?
Cl1 O1 C4 89.29(6) 3_765 3_765 3_765 ?
Cl1 O1 C5 111.16(8) 3_765 3_765 3_765 ?
Cl1 O1 C6 90.38(6) 3_765 3_765 3_765 ?
Cl1 O1 C6 90.38(6) 3_765 3_765 3_765 ?
Cl1 O1 C7 147.38(8) 3_765 3_765 3_765 ?
Cl1 O1 C8 149.90(6) 3_765 3_765 3_765 ?
Cl1 O1 C8 149.90(6) 3_765 3_765 3_765 ?
Cl1 O1 H1 30.8(13) 3_765 3_765 3_765 no
Cl1 O1 H2 99.2(5) 3_765 3_765 3_765 no
Cl1 O1 H2 99.2(5) 3_765 3_765 3_765 no
Cl1 O1 H3 95.5(8) 3_765 3_765 3_765 no
Cl1 O1 H3 95.5(8) 3_765 3_765 3_765 no
Cl1 O1 H4 60.1(7) 3_765 3_765 3_765 no
Cl1 O1 H5 114.4(13) 3_765 3_765 3_765 no
Cl1 O1 H6 117.9(6) 3_765 3_765 3_765 no
Cl1 O1 H6 117.9(6) 3_765 3_765 3_765 no
Cl1 O1 H7 133.5(4) 3_765 3_765 3_765 no
Cl1 O1 H7 133.5(4) 3_765 3_765 3_765 no
N1 O1 N2 61.58(8) . . . ?
N1 O1 C1 30.95(13) . . . ?
N1 O1 C2 50.99(7) . . . ?
N1 O1 C2 107.43(5) . . . ?
N1 O1 C2 107.42(5) . . . ?
N1 O1 C3 177.15(10) . . . ?
N1 O1 C4 11.34(5) . . . ?
N1 O1 C4 156.04(10) . . . ?
N1 O1 C5 134.17(10) . . . ?
N1 O1 C6 96.58(7) . . . ?
N1 O1 C6 96.57(7) . . . ?
N1 O1 C7 32.71(7) . . . ?
N1 O1 C8 47.71(7) . . . ?
N1 O1 C8 47.71(7) . . . ?
N1 O1 H1 83.9(13) . . . no
N1 O1 H2 103.7(8) . . . no
N1 O1 H2 103.7(8) . . . no
N1 O1 H3 79.7(14) . . . no
N1 O1 H3 79.7(14) . . . no
N1 O1 H4 174.8(7) . . . no
N1 O1 H5 131.0(13) . . . no
N1 O1 H6 126.1(6) . . . no
N1 O1 H6 126.1(6) . . . no
N1 O1 H7 49.7(6) . . . no
N1 O1 H7 49.7(6) . . . no
N2 O1 C1 30.63(13) . . . ?
N2 O1 C2 10.59(6) . . . ?
N2 O1 C2 83.38(6) . . . ?
N2 O1 C2 83.38(6) . . . ?
N2 O1 C3 121.27(10) . . . ?
N2 O1 C4 50.24(7) . . . ?
N2 O1 C4 142.38(11) . . . ?
N2 O1 C5 164.25(12) . . . ?
N2 O1 C6 96.16(7) . . . ?
N2 O1 C6 96.15(7) . . . ?
N2 O1 C7 94.29(10) . . . ?
N2 O1 C8 104.20(9) . . . ?
N2 O1 C8 104.20(9) . . . ?
N2 O1 H1 22.3(13) . . . no
N2 O1 H2 111.3(7) . . . no
N2 O1 H2 111.3(7) . . . no
N2 O1 H3 86.3(12) . . . no
N2 O1 H3 86.3(12) . . . no
N2 O1 H4 113.2(7) . . . no
N2 O1 H5 167.5(13) . . . no
N2 O1 H6 166.2(5) . . . no
N2 O1 H6 166.2(5) . . . no
N2 O1 H7 95.5(5) . . . no
N2 O1 H7 95.5(5) . . . no
C1 O1 C2 20.04(13) . . . ?
C1 O1 C2 96.09(8) . . . ?
C1 O1 C2 96.08(8) . . . ?
C1 O1 C3 151.9(2) . . . ?
C1 O1 C4 19.61(13) . . . ?
C1 O1 C4 173.0(2) . . . ?
C1 O1 C5 165.1(2) . . . ?
C1 O1 C6 97.42(7) . . . ?
C1 O1 C6 97.41(7) . . . ?
C1 O1 C7 63.7(2) . . . ?
C1 O1 C8 75.7(1) . . . ?
C1 O1 C8 75.7(1) . . . ?
C1 O1 H1 52.9(13) . . . no
C1 O1 H2 110.5(8) . . . no
C1 O1 H2 110.5(8) . . . no
C1 O1 H3 81.8(14) . . . no
C1 O1 H3 81.8(14) . . . no
C1 O1 H4 143.8(7) . . . no
C1 O1 H5 161.9(13) . . . no
C1 O1 H6 155.4(6) . . . no
C1 O1 H6 155.4(6) . . . no
C1 O1 H7 71.4(5) . . . no
C1 O1 H7 71.4(5) . . . no
C2 O1 C2 87.75(4) . . . ?
C2 O1 C2 87.74(4) . . . ?
C2 O1 C3 131.85(9) . . . ?
C2 O1 C4 39.65(5) . . . ?
C2 O1 C4 152.97(8) . . . ?
C2 O1 C5 174.84(10) . . . ?
C2 O1 C6 96.82(7) . . . ?
C2 O1 C6 96.81(7) . . . ?
C2 O1 C7 83.70(8) . . . ?
C2 O1 C8 94.37(8) . . . ?
C2 O1 C8 94.37(8) . . . ?
C2 O1 H1 32.9(13) . . . no
C2 O1 H2 111.7(7) . . . no
C2 O1 H2 111.7(7) . . . no
C2 O1 H3 84.5(13) . . . no
C2 O1 H3 84.5(13) . . . no
C2 O1 H4 123.8(7) . . . no
C2 O1 H5 178.0(13) . . . no
C2 O1 H6 168.8(5) . . . no
C2 O1 H6 168.8(5) . . . no
C2 O1 H7 87.1(5) . . . no
C2 O1 H7 87.1(5) . . . no
C2 O1 C2 130.46(9) 3_665 3_665 3_665 ?
C2 O1 C3 73.47(5) 3_665 3_665 3_665 ?
C2 O1 C4 103.65(5) 3_665 3_665 3_665 ?
C2 O1 C4 81.11(5) 3_665 3_665 3_665 ?
C2 O1 C5 90.09(6) 3_665 3_665 3_665 ?
C2 O1 C6 23.50(5) 3_665 3_665 3_665 ?
C2 O1 C6 152.09(9) 3_665 3_665 3_665 ?
C2 O1 C7 114.23(5) 3_665 3_665 3_665 ?
C2 O1 C8 136.23(7) 3_665 3_665 3_665 ?
C2 O1 C8 93.31(6) 3_665 3_665 3_665 ?
C2 O1 H1 75.0(4) 3_665 3_665 3_665 no
C2 O1 H2 33.8(5) 3_665 3_665 3_665 no
C2 O1 H2 148.9(8) 3_665 3_665 3_665 no
C2 O1 H3 33.6(11) 3_665 3_665 3_665 no
C2 O1 H3 162.4(8) 3_665 3_665 3_665 no
C2 O1 H4 71.0(2) 3_665 3_665 3_665 no
C2 O1 H5 91.4(5) 3_665 3_665 3_665 no
C2 O1 H6 103.1(6) 3_665 3_665 3_665 no
C2 O1 H6 83.2(5) 3_665 3_665 3_665 no
C2 O1 H7 151.7(5) 3_665 3_665 3_665 no
C2 O1 H7 77.1(5) 3_665 3_665 3_665 no
C2 O1 C3 73.48(5) 3_765 3_765 3_765 ?
C2 O1 C4 103.64(5) 3_765 3_765 3_765 ?
C2 O1 C4 81.11(5) 3_765 3_765 3_765 ?
C2 O1 C5 90.10(6) 3_765 3_765 3_765 ?
C2 O1 C6 152.09(9) 3_765 3_765 3_765 ?
C2 O1 C6 23.50(5) 3_765 3_765 3_765 ?
C2 O1 C7 114.22(5) 3_765 3_765 3_765 ?
C2 O1 C8 93.31(6) 3_765 3_765 3_765 ?
C2 O1 C8 136.23(7) 3_765 3_765 3_765 ?
C2 O1 H1 75.0(4) 3_765 3_765 3_765 no
C2 O1 H2 148.9(8) 3_765 3_765 3_765 no
C2 O1 H2 33.8(5) 3_765 3_765 3_765 no
C2 O1 H3 162.4(8) 3_765 3_765 3_765 no
C2 O1 H3 33.6(11) 3_765 3_765 3_765 no
C2 O1 H4 71.0(2) 3_765 3_765 3_765 no
C2 O1 H5 91.4(5) 3_765 3_765 3_765 no
C2 O1 H6 83.2(5) 3_765 3_765 3_765 no
C2 O1 H6 103.1(6) 3_765 3_765 3_765 no
C2 O1 H7 77.1(5) 3_765 3_765 3_765 no
C2 O1 H7 151.7(5) 3_765 3_765 3_765 no
C3 O1 C4 171.51(9) 1_556 1_556 1_556 ?
C3 O1 C4 21.11(4) 1_556 1_556 1_556 ?
C3 O1 C5 42.98(7) 1_556 1_556 1_556 ?
C3 O1 C6 83.25(7) 1_556 1_556 1_556 ?
C3 O1 C6 83.26(7) 1_556 1_556 1_556 ?
C3 O1 C7 144.44(9) 1_556 1_556 1_556 ?
C3 O1 C8 129.80(8) 1_556 1_556 1_556 ?
C3 O1 C8 129.79(8) 1_556 1_556 1_556 ?
C3 O1 H1 99.0(13) 1_556 1_556 1_556 no
C3 O1 H2 75.5(8) 1_556 1_556 1_556 no
C3 O1 H2 75.5(8) 1_556 1_556 1_556 no
C3 O1 H3 100.2(14) 1_556 1_556 1_556 no
C3 O1 H3 100.2(14) 1_556 1_556 1_556 no
C3 O1 H4 8.1(8) 1_556 1_556 1_556 no
C3 O1 H5 46.2(13) 1_556 1_556 1_556 no
C3 O1 H6 51.2(6) 1_556 1_556 1_556 no
C3 O1 H6 51.2(6) 1_556 1_556 1_556 no
C3 O1 H7 128.6(6) 1_556 1_556 1_556 no
C3 O1 H7 128.6(6) 1_556 1_556 1_556 no
C4 O1 C4 167.38(9) . . . ?
C4 O1 C5 145.51(9) . . . ?
C4 O1 C6 97.13(7) . . . ?
C4 O1 C6 97.12(7) . . . ?
C4 O1 C7 44.05(7) . . . ?
C4 O1 C8 57.77(6) . . . ?
C4 O1 C8 57.78(6) . . . ?
C4 O1 H1 72.5(13) . . . no
C4 O1 H2 106.8(9) . . . no
C4 O1 H2 106.8(9) . . . no
C4 O1 H3 80.1(14) . . . no
C4 O1 H3 80.1(14) . . . no
C4 O1 H4 163.4(7) . . . no
C4 O1 H5 142.3(13) . . . no
C4 O1 H6 137.0(6) . . . no
C4 O1 H6 137.0(6) . . . no
C4 O1 H7 57.0(6) . . . no
C4 O1 H7 57.0(6) . . . no
C4 O1 C5 21.87(5) 1_556 1_556 1_556 ?
C4 O1 C6 82.58(7) 1_556 1_556 1_556 ?
C4 O1 C6 82.59(7) 1_556 1_556 1_556 ?
C4 O1 C7 123.33(9) 1_556 1_556 1_556 ?
C4 O1 C8 110.72(8) 1_556 1_556 1_556 ?
C4 O1 C8 110.71(8) 1_556 1_556 1_556 ?
C4 O1 H1 120.1(13) 1_556 1_556 1_556 no
C4 O1 H2 70.6(8) 1_556 1_556 1_556 no
C4 O1 H2 70.6(8) 1_556 1_556 1_556 no
C4 O1 H3 98.9(14) 1_556 1_556 1_556 no
C4 O1 H3 98.9(14) 1_556 1_556 1_556 no
C4 O1 H4 29.2(7) 1_556 1_556 1_556 no
C4 O1 H5 25.1(13) 1_556 1_556 1_556 no
C4 O1 H6 31.0(6) 1_556 1_556 1_556 no
C4 O1 H6 31.0(6) 1_556 1_556 1_556 no
C4 O1 H7 113.9(6) 1_556 1_556 1_556 no
C4 O1 H7 113.9(6) 1_556 1_556 1_556 no
C5 O1 C6 82.94(7) 1_556 1_556 1_556 ?
C5 O1 C6 82.95(7) 1_556 1_556 1_556 ?
C5 O1 C7 101.46(9) 1_556 1_556 1_556 ?
C5 O1 C8 90.44(8) 1_556 1_556 1_556 ?
C5 O1 C8 90.44(8) 1_556 1_556 1_556 ?
C5 O1 H1 142.0(13) 1_556 1_556 1_556 no
C5 O1 H2 68.3(8) 1_556 1_556 1_556 no
C5 O1 H2 68.3(8) 1_556 1_556 1_556 no
C5 O1 H3 96.2(13) 1_556 1_556 1_556 no
C5 O1 H3 96.2(13) 1_556 1_556 1_556 no
C5 O1 H4 51.1(7) 1_556 1_556 1_556 no
C5 O1 H5 3.2(13) 1_556 1_556 1_556 no
C5 O1 H6 13.2(6) 1_556 1_556 1_556 no
C5 O1 H6 13.2(6) 1_556 1_556 1_556 no
C5 O1 H7 97.0(5) 1_556 1_556 1_556 no
C5 O1 H7 96.9(5) 1_556 1_556 1_556 no
C6 O1 C6 165.1(1) 3_665 3_665 3_665 ?
C6 O1 C7 93.67(6) 3_665 3_665 3_665 ?
C6 O1 C8 113.66(8) 3_665 3_665 3_665 ?
C6 O1 C8 71.08(7) 3_665 3_665 3_665 ?
C6 O1 H1 94.1(2) 3_665 3_665 3_665 no
C6 O1 H2 15.1(7) 3_665 3_665 3_665 no
C6 O1 H2 151.3(8) 3_665 3_665 3_665 no
C6 O1 H3 17.0(14) 3_665 3_665 3_665 no
C6 O1 H3 174.0(9) 3_665 3_665 3_665 no
C6 O1 H4 83.76(8) 3_665 3_665 3_665 no
C6 O1 H5 83.08(9) 3_665 3_665 3_665 no
C6 O1 H6 94.2(5) 3_665 3_665 3_665 no
C6 O1 H6 72.4(5) 3_665 3_665 3_665 no
C6 O1 H7 130.5(5) 3_665 3_665 3_665 no
C6 O1 H7 56.2(5) 3_665 3_665 3_665 no
C6 O1 C7 93.66(6) 3_765 3_765 3_765 ?
C6 O1 C8 71.08(7) 3_765 3_765 3_765 ?
C6 O1 C8 113.65(8) 3_765 3_765 3_765 ?
C6 O1 H1 94.1(2) 3_765 3_765 3_765 no
C6 O1 H2 151.3(8) 3_765 3_765 3_765 no
C6 O1 H2 15.1(7) 3_765 3_765 3_765 no
C6 O1 H3 174.0(9) 3_765 3_765 3_765 no
C6 O1 H3 17.0(14) 3_765 3_765 3_765 no
C6 O1 H4 83.77(8) 3_765 3_765 3_765 no
C6 O1 H5 83.09(9) 3_765 3_765 3_765 no
C6 O1 H6 72.4(5) 3_765 3_765 3_765 no
C6 O1 H6 94.2(5) 3_765 3_765 3_765 no
C6 O1 H7 56.2(5) 3_765 3_765 3_765 no
C6 O1 H7 130.5(5) 3_765 3_765 3_765 no
C7 O1 C8 23.99(5) . . . ?
C7 O1 C8 23.99(5) . . . ?
C7 O1 H1 116.6(13) . . . no
C7 O1 H2 92.6(7) . . . no
C7 O1 H2 92.6(7) . . . no
C7 O1 H3 80.6(11) . . . no
C7 O1 H3 80.6(11) . . . no
C7 O1 H4 152.5(7) . . . no
C7 O1 H5 98.3(13) . . . no
C7 O1 H6 94.0(6) . . . no
C7 O1 H6 94.0(6) . . . no
C7 O1 H7 37.5(5) . . . no
C7 O1 H7 37.5(5) . . . no
C8 O1 C8 42.92(9) . . . ?
C8 O1 H1 124.6(12) . . . no
C8 O1 H2 108.4(6) . . . no
C8 O1 H2 68.7(7) . . . no
C8 O1 H3 103.0(10) . . . no
C8 O1 H3 60.3(10) . . . no
C8 O1 H4 136.8(6) . . . no
C8 O1 H5 87.5(12) . . . no
C8 O1 H6 79.7(6) . . . no
C8 O1 H6 87.7(6) . . . no
C8 O1 H7 17.5(4) . . . no
C8 O1 H7 59.4(5) . . . no
C8 O1 H1 124.6(12) 2_755 2_755 2_755 no
C8 O1 H2 68.7(7) 2_755 2_755 2_755 no
C8 O1 H2 108.4(6) 2_755 2_755 2_755 no
C8 O1 H3 60.3(10) 2_755 2_755 2_755 no
C8 O1 H3 103.0(10) 2_755 2_755 2_755 no
C8 O1 H4 136.8(6) 2_755 2_755 2_755 no
C8 O1 H5 87.5(12) 2_755 2_755 2_755 no
C8 O1 H6 87.7(6) 2_755 2_755 2_755 no
C8 O1 H6 79.7(6) 2_755 2_755 2_755 no
C8 O1 H7 59.4(5) 2_755 2_755 2_755 no
C8 O1 H7 17.5(4) 2_755 2_755 2_755 no
H1 O1 H2 108.0(6) . . . no
H1 O1 H2 108.0(6) . . . no
H1 O1 H3 90.2(10) . . . no
H1 O1 H3 90.2(10) . . . no
H1 O1 H4 90.9(16) . . . no
H1 O1 H5 145.2(18) . . . no
H1 O1 H6 147.6(14) . . . no
H1 O1 H6 147.6(14) . . . no
H1 O1 H7 112.8(11) . . . no
H1 O1 H7 112.8(11) . . . no
H2 O1 H2 136.5(15) 4_465 4_465 4_465 no
H2 O1 H3 28.6(16) 4_465 4_465 4_465 no
H2 O1 H3 161.7(11) 4_465 4_465 4_465 no
H2 O1 H4 77.9(8) 4_465 4_465 4_465 no
H2 O1 H5 68.3(8) 4_465 4_465 4_465 no
H2 O1 H6 79.2(8) 4_465 4_465 4_465 no
H2 O1 H6 57.3(10) 4_465 4_465 4_465 no
H2 O1 H7 126.0(8) 4_465 4_465 4_465 no
H2 O1 H7 57.2(10) 4_465 4_465 4_465 no
H2 O1 H3 161.7(11) 3_765 3_765 3_765 no
H2 O1 H3 28.7(16) 3_765 3_765 3_765 no
H2 O1 H4 77.9(8) 3_765 3_765 3_765 no
H2 O1 H5 68.3(8) 3_765 3_765 3_765 no
H2 O1 H6 57.3(10) 3_765 3_765 3_765 no
H2 O1 H6 79.2(8) 3_765 3_765 3_765 no
H2 O1 H7 57.2(10) 3_765 3_765 3_765 no
H2 O1 H7 125.9(8) 3_765 3_765 3_765 no
H3 O1 H3 159.2(27) 3_665 3_665 3_665 no
H3 O1 H4 100.4(14) 3_665 3_665 3_665 no
H3 O1 H5 95.8(13) 3_665 3_665 3_665 no
H3 O1 H6 105.9(13) 3_665 3_665 3_665 no
H3 O1 H6 84.3(13) 3_665 3_665 3_665 no
H3 O1 H7 118.1(12) 3_665 3_665 3_665 no
H3 O1 H7 43.6(11) 3_665 3_665 3_665 no
H3 O1 H4 100.4(14) 3_765 3_765 3_765 no
H3 O1 H5 95.8(13) 3_765 3_765 3_765 no
H3 O1 H6 84.3(13) 3_765 3_765 3_765 no
H3 O1 H6 105.9(13) 3_765 3_765 3_765 no
H3 O1 H7 43.6(11) 3_765 3_765 3_765 no
H3 O1 H7 118.1(12) 3_765 3_765 3_765 no
H4 O1 H5 54.3(14) 1_556 1_556 1_556 no
H4 O1 H6 59.1(10) 1_556 1_556 1_556 no
H4 O1 H6 59.1(10) 1_556 1_556 1_556 no
H4 O1 H7 133.4(7) 1_556 1_556 1_556 no
H4 O1 H7 133.4(7) 1_556 1_556 1_556 no
H5 O1 H6 11.7(7) 1_556 1_556 1_556 no
H5 O1 H6 11.7(7) 1_556 1_556 1_556 no
H5 O1 H7 94.4(12) 1_556 1_556 1_556 no
H5 O1 H7 94.4(12) 1_556 1_556 1_556 no
H6 O1 H6 21.9(11) 1_556 1_556 1_556 no
H6 O1 H7 84.5(7) 1_556 1_556 1_556 no
H6 O1 H7 97.7(7) 1_556 1_556 1_556 no
H6 O1 H7 97.7(7) 2_756 2_756 2_756 no
H6 O1 H7 84.5(7) 2_756 2_756 2_756 no
H7 O1 H7 74.9(10) . . . no
Cl1 N1 Cl1 145.26(6) . . . ?
Cl1 N1 O1 104.79(4) . . . ?
Cl1 N1 N2 89.99(4) . . . ?
Cl1 N1 C1 99.15(4) . . . ?
Cl1 N1 C2 81.58(4) . . . ?
Cl1 N1 C3 75.05(3) . . . ?
Cl1 N1 C4 72.62(3) . . . ?
Cl1 N1 C5 75.41(4) . . . ?
Cl1 N1 C7 99.22(4) . . . ?
Cl1 N1 C8 70.82(6) . . . ?
Cl1 N1 C8 127.94(7) . . . ?
Cl1 N1 C9 81.53(6) . . . ?
Cl1 N1 C9 117.41(6) . . . ?
Cl1 N1 H1 91.5(3) . . . no
Cl1 N1 H3 166.4(9) . . . no
Cl1 N1 H3 42.3(12) . . . no
Cl1 N1 H4 73.84(9) . . . no
Cl1 N1 H5 73.94(11) . . . no
Cl1 N1 H6 63.3(7) . . . no
Cl1 N1 H6 92.4(8) . . . no
Cl1 N1 H7 48.5(6) . . . no
Cl1 N1 H7 149.2(5) . . . no
Cl1 N1 O1 104.78(4) 1_455 1_455 1_455 ?
Cl1 N1 N2 89.99(4) 1_455 1_455 1_455 ?
Cl1 N1 C1 99.15(4) 1_455 1_455 1_455 ?
Cl1 N1 C2 81.58(4) 1_455 1_455 1_455 ?
Cl1 N1 C3 75.06(3) 1_455 1_455 1_455 ?
Cl1 N1 C4 72.63(3) 1_455 1_455 1_455 ?
Cl1 N1 C5 75.42(4) 1_455 1_455 1_455 ?
Cl1 N1 C7 99.21(4) 1_455 1_455 1_455 ?
Cl1 N1 C8 127.94(7) 1_455 1_455 1_455 ?
Cl1 N1 C8 70.82(6) 1_455 1_455 1_455 ?
Cl1 N1 C9 117.41(6) 1_455 1_455 1_455 ?
Cl1 N1 C9 81.53(6) 1_455 1_455 1_455 ?
Cl1 N1 H1 91.5(3) 1_455 1_455 1_455 no
Cl1 N1 H3 42.3(12) 1_455 1_455 1_455 no
Cl1 N1 H3 166.4(9) 1_455 1_455 1_455 no
Cl1 N1 H4 73.85(9) 1_455 1_455 1_455 no
Cl1 N1 H5 73.95(11) 1_455 1_455 1_455 no
Cl1 N1 H6 92.4(8) 1_455 1_455 1_455 no
Cl1 N1 H6 63.3(7) 1_455 1_455 1_455 no
Cl1 N1 H7 149.2(5) 1_455 1_455 1_455 no
Cl1 N1 H7 48.5(6) 1_455 1_455 1_455 no
O1 N1 N2 58.75(9) . . . ?
O1 N1 C1 26.54(11) . . . ?
O1 N1 C2 88.10(9) . . . ?
O1 N1 C3 118.45(10) . . . ?
O1 N1 C4 149.2(1) . . . ?
O1 N1 C5 178.80(11) . . . ?
O1 N1 C7 88.8(2) . . . ?
O1 N1 C8 88.10(10) . . . ?
O1 N1 C8 88.10(10) . . . ?
O1 N1 C9 87.83(9) . . . ?
O1 N1 C9 87.83(9) . . . ?
O1 N1 H1 53.7(11) . . . no
O1 N1 H3 63.8(12) . . . no
O1 N1 H3 63.8(12) . . . no
O1 N1 H4 127.4(7) . . . no
O1 N1 H5 170.9(9) . . . no
O1 N1 H6 159.9(8) . . . no
O1 N1 H6 159.9(8) . . . no
O1 N1 H7 88.9(7) . . . no
O1 N1 H7 88.9(7) . . . no
N2 N1 C1 32.21(11) . . . ?
N2 N1 C2 29.35(7) . . . ?
N2 N1 C3 59.70(9) . . . ?
N2 N1 C4 90.43(13) . . . ?
N2 N1 C5 122.45(11) . . . ?
N2 N1 C7 147.6(2) . . . ?
N2 N1 C8 136.51(10) . . . ?
N2 N1 C8 136.50(10) . . . ?
N2 N1 C9 142.20(10) . . . ?
N2 N1 C9 142.19(10) . . . ?
N2 N1 H1 5.0(10) . . . no
N2 N1 H3 77.8(7) . . . no
N2 N1 H3 77.8(7) . . . no
N2 N1 H4 68.7(7) . . . no
N2 N1 H5 112.1(9) . . . no
N2 N1 H6 133.0(7) . . . no
N2 N1 H6 133.0(7) . . . no
N2 N1 H7 120.4(6) . . . no
N2 N1 H7 120.4(6) . . . no
C1 N1 C2 61.56(12) . . . ?
C1 N1 C3 91.9(1) . . . ?
C1 N1 C4 122.6(2) . . . ?
C1 N1 C5 154.7(2) . . . ?
C1 N1 C7 115.4(2) . . . ?
C1 N1 C8 111.0(1) . . . ?
C1 N1 C8 111.0(1) . . . ?
C1 N1 C9 112.9(1) . . . ?
C1 N1 C9 112.9(1) . . . ?
C1 N1 H1 27.2(11) . . . no
C1 N1 H3 67.3(10) . . . no
C1 N1 H3 67.3(10) . . . no
C1 N1 H4 100.9(7) . . . no
C1 N1 H5 144.3(9) . . . no
C1 N1 H6 160.4(7) . . . no
C1 N1 H6 160.4(7) . . . no
C1 N1 H7 104.6(7) . . . no
C1 N1 H7 104.6(7) . . . no
C2 N1 C3 30.35(8) . . . ?
C2 N1 C4 61.08(11) . . . ?
C2 N1 C5 93.10(9) . . . ?
C2 N1 C7 176.9(2) . . . ?
C2 N1 C8 150.12(6) . . . ?
C2 N1 C8 150.12(6) . . . ?
C2 N1 C9 160.99(5) . . . ?
C2 N1 C9 160.99(5) . . . ?
C2 N1 H1 34.4(11) . . . no
C2 N1 H3 90.3(8) . . . no
C2 N1 H3 90.3(8) . . . no
C2 N1 H4 39.3(7) . . . no
C2 N1 H5 82.8(9) . . . no
C2 N1 H6 105.0(8) . . . no
C2 N1 H6 105.0(8) . . . no
C2 N1 H7 127.0(5) . . . no
C2 N1 H7 127.0(5) . . . no
C3 N1 C4 30.72(10) . . . ?
C3 N1 C5 62.75(10) . . . ?
C3 N1 C7 152.7(2) . . . ?
C3 N1 C8 141.22(9) . . . ?
C3 N1 C8 141.22(9) . . . ?
C3 N1 C9 148.31(9) . . . ?
C3 N1 C9 148.31(9) . . . ?
C3 N1 H1 64.8(11) . . . no
C3 N1 H3 103.2(10) . . . no
C3 N1 H3 103.2(10) . . . no
C3 N1 H4 9.0(7) . . . no
C3 N1 H5 52.4(9) . . . no
C3 N1 H6 75.7(8) . . . no
C3 N1 H6 75.7(8) . . . no
C3 N1 H7 122.7(6) . . . no
C3 N1 H7 122.7(6) . . . no
C4 N1 C5 32.02(11) . . . ?
C4 N1 C7 122.0(2) . . . ?
C4 N1 C8 118.27(13) . . . ?
C4 N1 C8 118.27(13) . . . ?
C4 N1 C9 121.19(13) . . . ?
C4 N1 C9 121.19(13) . . . ?
C4 N1 H1 95.5(11) . . . no
C4 N1 H3 113.0(12) . . . no
C4 N1 H3 112.9(12) . . . no
C4 N1 H4 21.7(7) . . . no
C4 N1 H5 21.7(9) . . . no
C4 N1 H6 46.4(8) . . . no
C4 N1 H6 46.4(8) . . . no
C4 N1 H7 109.0(7) . . . no
C4 N1 H7 109.0(7) . . . no
C5 N1 C7 90.0(2) . . . ?
C5 N1 C8 90.86(11) . . . ?
C5 N1 C8 90.86(11) . . . ?
C5 N1 C9 91.04(10) . . . ?
C5 N1 C9 91.04(10) . . . ?
C5 N1 H1 127.5(11) . . . no
C5 N1 H3 116.2(12) . . . no
C5 N1 H3 116.2(12) . . . no
C5 N1 H4 53.8(7) . . . no
C5 N1 H5 10.3(9) . . . no
C5 N1 H6 19.3(8) . . . no
C5 N1 H6 19.4(8) . . . no
C5 N1 H7 90.4(7) . . . no
C5 N1 H7 90.4(7) . . . no
C7 N1 C8 29.64(6) . . . ?
C7 N1 C8 29.64(6) . . . ?
C7 N1 C9 18.60(5) . . . ?
C7 N1 C9 18.60(5) . . . ?
C7 N1 H1 142.5(11) . . . no
C7 N1 H3 88.3(8) . . . no
C7 N1 H3 88.3(8) . . . no
C7 N1 H4 143.7(7) . . . no
C7 N1 H5 100.3(9) . . . no
C7 N1 H6 77.9(8) . . . no
C7 N1 H6 77.9(8) . . . no
C7 N1 H7 52.9(5) . . . no
C7 N1 H7 52.9(5) . . . no
C8 N1 C8 59.24(11) . . . ?
C8 N1 C9 11.06(7) . . . ?
C8 N1 C9 48.18(8) . . . ?
C8 N1 H1 132.9(8) . . . no
C8 N1 H3 114.2(9) . . . no
C8 N1 H3 61.6(7) . . . no
C8 N1 H4 135.2(5) . . . no
C8 N1 H5 99.8(8) . . . no
C8 N1 H6 72.9(8) . . . no
C8 N1 H6 87.7(7) . . . no
C8 N1 H7 23.2(5) . . . no
C8 N1 H7 82.5(5) . . . no
C8 N1 C9 48.18(8) 2_755 2_755 2_755 ?
C8 N1 C9 11.06(7) 2_755 2_755 2_755 ?
C8 N1 H1 132.9(8) 2_755 2_755 2_755 no
C8 N1 H3 61.6(7) 2_755 2_755 2_755 no
C8 N1 H3 114.2(9) 2_755 2_755 2_755 no
C8 N1 H4 135.2(5) 2_755 2_755 2_755 no
C8 N1 H5 99.8(8) 2_755 2_755 2_755 no
C8 N1 H6 87.7(7) 2_755 2_755 2_755 no
C8 N1 H6 72.9(8) 2_755 2_755 2_755 no
C8 N1 H7 82.5(5) 2_755 2_755 2_755 no
C8 N1 H7 23.2(5) 2_755 2_755 2_755 no
C9 N1 C9 37.12(10) . . . ?
C9 N1 H1 137.8(9) . . . no
C9 N1 H3 104.4(9) . . . no
C9 N1 H3 71.2(7) . . . no
C9 N1 H4 140.8(6) . . . no
C9 N1 H5 100.8(8) . . . no
C9 N1 H6 74.8(8) . . . no
C9 N1 H6 84.3(7) . . . no
C9 N1 H7 34.3(5) . . . no
C9 N1 H7 71.4(5) . . . no
C9 N1 H1 137.8(9) 2_755 2_755 2_755 no
C9 N1 H3 71.2(7) 2_755 2_755 2_755 no
C9 N1 H3 104.4(9) 2_755 2_755 2_755 no
C9 N1 H4 140.8(6) 2_755 2_755 2_755 no
C9 N1 H5 100.8(8) 2_755 2_755 2_755 no
C9 N1 H6 84.3(7) 2_755 2_755 2_755 no
C9 N1 H6 74.8(8) 2_755 2_755 2_755 no
C9 N1 H7 71.4(5) 2_755 2_755 2_755 no
C9 N1 H7 34.3(5) 2_755 2_755 2_755 no
H1 N1 H3 75.8(9) . . . no
H1 N1 H3 75.8(9) . . . no
H1 N1 H4 73.7(14) . . . no
H1 N1 H5 117.2(13) . . . no
H1 N1 H6 137.7(13) . . . no
H1 N1 H6 137.7(13) . . . no
H1 N1 H7 118.4(7) . . . no
H1 N1 H7 118.4(7) . . . no
H3 N1 H3 127.5(23) 3_665 3_665 3_665 no
H3 N1 H4 106.6(11) 3_665 3_665 3_665 no
H3 N1 H5 116.1(12) 3_665 3_665 3_665 no
H3 N1 H6 129.9(13) 3_665 3_665 3_665 no
H3 N1 H6 100.3(13) 3_665 3_665 3_665 no
H3 N1 H7 134.0(11) 3_665 3_665 3_665 no
H3 N1 H7 42.6(9) 3_665 3_665 3_665 no
H3 N1 H4 106.6(11) 3_765 3_765 3_765 no
H3 N1 H5 116.1(12) 3_765 3_765 3_765 no
H3 N1 H6 100.3(13) 3_765 3_765 3_765 no
H3 N1 H6 129.9(13) 3_765 3_765 3_765 no
H3 N1 H7 42.6(9) 3_765 3_765 3_765 no
H3 N1 H7 134.0(11) 3_765 3_765 3_765 no
H4 N1 H5 43.4(11) . . . no
H4 N1 H6 67.1(10) . . . no
H4 N1 H6 67.1(10) . . . no
H4 N1 H7 119.4(8) . . . no
H4 N1 H7 119.4(8) . . . no
H5 N1 H6 27.0(10) . . . no
H5 N1 H6 27.0(10) . . . no
H5 N1 H7 96.6(9) . . . no
H5 N1 H7 96.6(9) . . . no
H6 N1 H6 29.9(15) . . . no
H6 N1 H7 71.0(11) . . . no
H6 N1 H7 94.9(10) . . . no
H6 N1 H7 94.9(10) 2_755 2_755 2_755 no
H6 N1 H7 71.0(11) 2_755 2_755 2_755 no
H7 N1 H7 105.7(11) . . . no
Cl1 N2 O1 90.04(9) 3_765 3_765 3_765 ?
Cl1 N2 N1 149.71(10) 3_765 3_765 3_765 ?
Cl1 N2 C1 116.8(2) 3_765 3_765 3_765 ?
Cl1 N2 C2 118.8(1) 3_765 3_765 3_765 ?
Cl1 N2 C3 149.58(10) 3_765 3_765 3_765 ?
Cl1 N2 C3 65.57(4) 3_765 3_765 3_765 ?
Cl1 N2 C3 65.58(4) 3_765 3_765 3_765 ?
Cl1 N2 C4 179.66(9) 3_765 3_765 3_765 ?
Cl1 N2 C6 84.85(10) 3_765 3_765 3_765 ?
Cl1 N2 C7 137.37(8) 3_765 3_765 3_765 ?
Cl1 N2 H1 14.2(32) 3_765 3_765 3_765 no
Cl1 N2 H2 70.8(8) 3_765 3_765 3_765 no
Cl1 N2 H2 70.8(8) 3_765 3_765 3_765 no
Cl1 N2 H3 95.9(11) 3_765 3_765 3_765 no
Cl1 N2 H4 142.3(6) 3_765 3_765 3_765 no
Cl1 N2 H4 76.3(6) 3_765 3_765 3_765 no
Cl1 N2 H4 76.3(6) 3_765 3_765 3_765 no
O1 N2 N1 59.67(9) . . . ?
O1 N2 C1 26.79(13) . . . ?
O1 N2 C2 151.2(2) . . . ?
O1 N2 C3 120.38(11) . . . ?
O1 N2 C3 82.91(6) . . . ?
O1 N2 C3 82.91(6) . . . ?
O1 N2 C4 89.62(9) . . . ?
O1 N2 C6 174.9(2) . . . ?
O1 N2 C7 47.34(8) . . . ?
O1 N2 H1 104.2(32) . . . no
O1 N2 H2 154.1(8) . . . no
O1 N2 H2 154.1(8) . . . no
O1 N2 H3 174.0(11) . . . no
O1 N2 H4 127.7(6) . . . no
O1 N2 H4 91.0(7) . . . no
O1 N2 H4 91.1(7) . . . no
N1 N2 C1 32.88(12) . . . ?
N1 N2 C2 91.5(2) . . . ?
N1 N2 C3 60.71(9) . . . ?
N1 N2 C3 107.14(5) . . . ?
N1 N2 C3 107.13(5) . . . ?
N1 N2 C4 29.95(7) . . . ?
N1 N2 C6 125.45(13) . . . ?
N1 N2 C7 12.33(7) . . . ?
N1 N2 H1 163.9(32) . . . no
N1 N2 H2 137.5(8) . . . no
N1 N2 H2 137.5(8) . . . no
N1 N2 H3 114.4(11) . . . no
N1 N2 H4 68.0(6) . . . no
N1 N2 H4 102.3(6) . . . no
N1 N2 H4 102.3(6) . . . no
C1 N2 C2 124.4(2) . . . ?
C1 N2 C3 93.6(2) . . . ?
C1 N2 C3 94.37(8) . . . ?
C1 N2 C3 94.37(8) . . . ?
C1 N2 C4 62.83(13) . . . ?
C1 N2 C6 158.3(2) . . . ?
C1 N2 C7 20.55(12) . . . ?
C1 N2 H1 131.0(32) . . . no
C1 N2 H2 162.0(7) . . . no
C1 N2 H2 162.0(7) . . . no
C1 N2 H3 147.2(11) . . . no
C1 N2 H4 100.9(6) . . . no
C1 N2 H4 97.1(6) . . . no
C1 N2 H4 97.1(6) . . . no
C2 N2 C3 30.81(12) . . . ?
C2 N2 C3 107.91(6) . . . ?
C2 N2 C3 107.90(6) . . . ?
C2 N2 C4 61.56(13) . . . ?
C2 N2 C6 33.9(1) . . . ?
C2 N2 C7 103.9(1) . . . ?
C2 N2 H1 104.6(32) . . . no
C2 N2 H2 50.9(9) . . . no
C2 N2 H2 51.0(9) . . . no
C2 N2 H3 22.8(11) . . . no
C2 N2 H4 23.5(6) . . . no
C2 N2 H4 95.6(7) . . . no
C2 N2 H4 95.6(7) . . . no
C3 N2 C3 114.79(5) . . . ?
C3 N2 C3 114.78(5) . . . ?
C3 N2 C4 30.76(7) . . . ?
C3 N2 C6 64.74(11) . . . ?
C3 N2 C7 73.04(8) . . . ?
C3 N2 H1 135.4(32) . . . no
C3 N2 H2 80.1(8) . . . no
C3 N2 H2 80.1(8) . . . no
C3 N2 H3 53.6(11) . . . no
C3 N2 H4 7.3(6) . . . no
C3 N2 H4 101.2(7) . . . no
C3 N2 H4 101.2(7) . . . no
C3 N2 C3 128.87(8) 3_665 3_665 3_665 ?
C3 N2 C4 114.38(4) 3_665 3_665 3_665 ?
C3 N2 C6 94.94(6) 3_665 3_665 3_665 ?
C3 N2 C7 102.74(5) 3_665 3_665 3_665 ?
C3 N2 H1 68.2(8) 3_665 3_665 3_665 no
C3 N2 H2 103.6(7) 3_665 3_665 3_665 no
C3 N2 H2 73.5(8) 3_665 3_665 3_665 no
C3 N2 H3 99.5(5) 3_665 3_665 3_665 no
C3 N2 H4 113.76(12) 3_665 3_665 3_665 no
C3 N2 H4 13.6(7) 3_665 3_665 3_665 no
C3 N2 H4 141.3(7) 3_665 3_665 3_665 no
C3 N2 C4 114.37(4) 3_765 3_765 3_765 ?
C3 N2 C6 94.93(6) 3_765 3_765 3_765 ?
C3 N2 C7 102.74(5) 3_765 3_765 3_765 ?
C3 N2 H1 68.3(8) 3_765 3_765 3_765 no
C3 N2 H2 73.5(8) 3_765 3_765 3_765 no
C3 N2 H2 103.6(7) 3_765 3_765 3_765 no
C3 N2 H3 99.5(5) 3_765 3_765 3_765 no
C3 N2 H4 113.75(12) 3_765 3_765 3_765 no
C3 N2 H4 141.3(7) 3_765 3_765 3_765 no
C3 N2 H4 13.6(7) 3_765 3_765 3_765 no
C4 N2 C6 95.49(12) . . . ?
C4 N2 C7 42.29(6) . . . ?
C4 N2 H1 166.2(32) . . . no
C4 N2 H2 109.5(8) . . . no
C4 N2 H2 109.5(8) . . . no
C4 N2 H3 84.4(11) . . . no
C4 N2 H4 38.0(6) . . . no
C4 N2 H4 103.7(6) . . . no
C4 N2 H4 103.7(6) . . . no
C6 N2 C7 137.78(13) . . . ?
C6 N2 H1 70.7(32) . . . no
C6 N2 H2 22.3(8) . . . no
C6 N2 H2 22.3(8) . . . no
C6 N2 H3 11.1(11) . . . no
C6 N2 H4 57.5(6) . . . no
C6 N2 H4 87.8(7) . . . no
C6 N2 H4 87.7(7) . . . no
C7 N2 H1 151.5(32) . . . no
C7 N2 H2 148.3(7) . . . no
C7 N2 H2 148.3(7) . . . no
C7 N2 H3 126.7(11) . . . no
C7 N2 H4 80.3(6) . . . no
C7 N2 H4 100.7(6) . . . no
C7 N2 H4 100.7(6) . . . no
H1 N2 H2 57.4(31) . . . no
H1 N2 H2 57.4(31) . . . no
H1 N2 H3 81.8(34) . . . no
H1 N2 H4 128.1(33) . . . no
H1 N2 H4 76.5(6) . . . no
H1 N2 H4 76.5(6) . . . no
H2 N2 H2 33.4(14) . . . no
H2 N2 H3 30.6(12) . . . no
H2 N2 H4 73.2(10) . . . no
H2 N2 H4 100.7(9) . . . no
H2 N2 H4 68.1(10) . . . no
H2 N2 H3 30.6(12) 2_755 2_755 2_755 no
H2 N2 H4 73.2(10) 2_755 2_755 2_755 no
H2 N2 H4 68.1(10) 2_755 2_755 2_755 no
H2 N2 H4 100.7(9) 2_755 2_755 2_755 no
H3 N2 H4 46.4(12) . . . no
H3 N2 H4 90.4(7) . . . no
H3 N2 H4 90.4(7) . . . no
H4 N2 H4 100.1(7) . . . no
H4 N2 H4 100.1(7) . . . no
H4 N2 H4 152.6(12) 3_665 3_665 3_665 no
Cl1 C1 O1 78.0(2) 3_765 3_765 3_765 ?
Cl1 C1 N1 159.5(1) 3_765 3_765 3_765 ?
Cl1 C1 N2 44.60(12) 3_765 3_765 3_765 ?
Cl1 C1 C2 71.96(7) 3_765 3_765 3_765 ?
Cl1 C1 C3 101.53(7) 3_765 3_765 3_765 ?
Cl1 C1 C4 131.35(8) 3_765 3_765 3_765 ?
Cl1 C1 C5 143.36(7) 3_765 3_765 3_765 ?
Cl1 C1 C6 58.42(7) 3_765 3_765 3_765 ?
Cl1 C1 C6 84.38(5) 3_765 3_765 3_765 ?
Cl1 C1 C6 84.39(5) 3_765 3_765 3_765 ?
Cl1 C1 C7 167.48(11) 3_765 3_765 3_765 ?
Cl1 C1 C8 150.72(7) 3_765 3_765 3_765 ?
Cl1 C1 C8 150.72(7) 3_765 3_765 3_765 ?
Cl1 C1 H1 23.3(16) 3_765 3_765 3_765 no
Cl1 C1 H2 49.9(6) 3_765 3_765 3_765 no
Cl1 C1 H2 88.0(5) 3_765 3_765 3_765 no
Cl1 C1 H2 49.9(6) 3_765 3_765 3_765 no
Cl1 C1 H2 88.0(5) 3_765 3_765 3_765 no
Cl1 C1 H3 93.7(10) 3_765 3_765 3_765 no
Cl1 C1 H3 93.7(10) 3_765 3_765 3_765 no
Cl1 C1 H4 102.3(6) 3_765 3_765 3_765 no
Cl1 C1 H4 52.6(5) 3_765 3_765 3_765 no
Cl1 C1 H4 62.9(5) 3_765 3_765 3_765 no
Cl1 C1 H4 62.9(5) 3_765 3_765 3_765 no
Cl1 C1 H5 89.9(8) 3_765 3_765 3_765 no
Cl1 C1 H7 138.0(5) 3_765 3_765 3_765 no
Cl1 C1 H7 138.0(5) 3_765 3_765 3_765 no
O1 C1 N1 122.5(2) . . . ?
O1 C1 N2 122.6(2) . . . ?
O1 C1 C2 149.9(2) . . . ?
O1 C1 C3 179.5(2) . . . ?
O1 C1 C4 150.7(2) . . . ?
O1 C1 C5 138.7(2) . . . ?
O1 C1 C6 136.4(2) . . . ?
O1 C1 C6 64.00(6) . . . ?
O1 C1 C6 64.01(6) . . . ?
O1 C1 C7 89.5(2) . . . ?
O1 C1 C8 82.8(2) . . . ?
O1 C1 C8 82.8(2) . . . ?
O1 C1 H1 101.3(16) . . . no
O1 C1 H2 126.2(6) . . . no
O1 C1 H2 50.3(7) . . . no
O1 C1 H2 126.2(6) . . . no
O1 C1 H2 50.3(7) . . . no
O1 C1 H3 78.0(14) . . . no
O1 C1 H3 78.1(14) . . . no
O1 C1 H4 179.7(6) . . . no
O1 C1 H4 25.4(5) . . . no
O1 C1 H4 95.5(6) . . . no
O1 C1 H4 95.5(6) . . . no
O1 C1 H5 11.9(8) . . . no
O1 C1 H7 88.1(6) . . . no
O1 C1 H7 88.1(6) . . . no
N1 C1 N2 114.9(2) . . . ?
N1 C1 C2 87.5(1) . . . ?
N1 C1 C3 57.97(12) . . . ?
N1 C1 C4 28.15(10) . . . ?
N1 C1 C5 16.15(10) . . . ?
N1 C1 C6 101.1(1) . . . ?
N1 C1 C6 103.96(7) . . . ?
N1 C1 C6 103.96(7) . . . ?
N1 C1 C7 33.01(11) . . . ?
N1 C1 C8 45.01(10) . . . ?
N1 C1 C8 45.02(10) . . . ?
N1 C1 H1 136.2(16) . . . no
N1 C1 H2 110.1(6) . . . no
N1 C1 H2 105.0(6) . . . no
N1 C1 H2 110.1(6) . . . no
N1 C1 H2 105.0(6) . . . no
N1 C1 H3 91.1(12) . . . no
N1 C1 H3 91.0(12) . . . no
N1 C1 H4 57.2(6) . . . no
N1 C1 H4 147.9(5) . . . no
N1 C1 H4 111.0(6) . . . no
N1 C1 H4 111.0(6) . . . no
N1 C1 H5 110.6(8) . . . no
N1 C1 H7 51.1(6) . . . no
N1 C1 H7 51.1(6) . . . no
N2 C1 C2 27.37(12) . . . ?
N2 C1 C3 56.9(1) . . . ?
N2 C1 C4 86.8(2) . . . ?
N2 C1 C5 98.8(2) . . . ?
N2 C1 C6 13.82(13) . . . ?
N2 C1 C6 103.31(7) . . . ?
N2 C1 C6 103.31(7) . . . ?
N2 C1 C7 147.9(2) . . . ?
N2 C1 C8 147.35(13) . . . ?
N2 C1 C8 147.35(13) . . . ?
N2 C1 H1 21.3(16) . . . no
N2 C1 H2 11.9(4) . . . no
N2 C1 H2 115.4(4) . . . no
N2 C1 H2 11.9(4) . . . no
N2 C1 H2 115.4(4) . . . no
N2 C1 H3 101.8(8) . . . no
N2 C1 H3 101.8(8) . . . no
N2 C1 H4 57.7(6) . . . no
N2 C1 H4 97.2(5) . . . no
N2 C1 H4 62.6(5) . . . no
N2 C1 H4 62.6(5) . . . no
N2 C1 H5 134.5(8) . . . no
N2 C1 H7 131.6(5) . . . no
N2 C1 H7 131.6(5) . . . no
C2 C1 C3 29.57(7) . . . ?
C2 C1 C4 59.39(8) . . . ?
C2 C1 C5 71.39(8) . . . ?
C2 C1 C6 13.55(8) . . . ?
C2 C1 C6 112.08(6) . . . ?
C2 C1 C6 112.08(6) . . . ?
C2 C1 C7 120.56(12) . . . ?
C2 C1 C8 124.69(10) . . . ?
C2 C1 C8 124.70(10) . . . ?
C2 C1 H1 48.6(16) . . . no
C2 C1 H2 25.4(6) . . . no
C2 C1 H2 127.1(5) . . . no
C2 C1 H2 25.4(6) . . . no
C2 C1 H2 127.1(5) . . . no
C2 C1 H3 103.6(11) . . . no
C2 C1 H3 103.6(11) . . . no
C2 C1 H4 30.3(6) . . . no
C2 C1 H4 124.6(5) . . . no
C2 C1 H4 71.0(6) . . . no
C2 C1 H4 71.0(6) . . . no
C2 C1 H5 161.8(8) . . . no
C2 C1 H7 114.4(6) . . . no
C2 C1 H7 114.4(6) . . . no
C3 C1 C4 29.82(6) . . . ?
C3 C1 C5 41.82(7) . . . ?
C3 C1 C6 43.12(8) . . . ?
C3 C1 C6 115.99(6) . . . ?
C3 C1 C6 115.98(6) . . . ?
C3 C1 C7 90.98(11) . . . ?
C3 C1 C8 97.69(9) . . . ?
C3 C1 C8 97.69(9) . . . ?
C3 C1 H1 78.2(16) . . . no
C3 C1 H2 53.4(6) . . . no
C3 C1 H2 129.8(7) . . . no
C3 C1 H2 53.4(6) . . . no
C3 C1 H2 129.8(7) . . . no
C3 C1 H3 102.0(14) . . . no
C3 C1 H3 102.0(14) . . . no
C3 C1 H4 0.7(6) . . . no
C3 C1 H4 154.2(5) . . . no
C3 C1 H4 84.3(6) . . . no
C3 C1 H4 84.3(6) . . . no
C3 C1 H5 168.6(8) . . . no
C3 C1 H7 92.3(6) . . . no
C3 C1 H7 92.3(6) . . . no
C4 C1 C5 12.00(6) . . . ?
C4 C1 C6 72.94(9) . . . ?
C4 C1 C6 112.67(6) . . . ?
C4 C1 C6 112.66(6) . . . ?
C4 C1 C7 61.17(9) . . . ?
C4 C1 C8 70.11(8) . . . ?
C4 C1 C8 70.12(8) . . . ?
C4 C1 H1 108.0(16) . . . no
C4 C1 H2 82.5(6) . . . no
C4 C1 H2 120.5(6) . . . no
C4 C1 H2 82.5(6) . . . no
C4 C1 H2 120.5(6) . . . no
C4 C1 H3 97.3(14) . . . no
C4 C1 H3 97.3(14) . . . no
C4 C1 H4 29.1(6) . . . no
C4 C1 H4 176.0(5) . . . no
C4 C1 H4 98.9(6) . . . no
C4 C1 H4 98.9(6) . . . no
C4 C1 H5 138.8(8) . . . no
C4 C1 H7 69.7(6) . . . no
C4 C1 H7 69.8(6) . . . no
C5 C1 C6 84.94(8) . . . ?
C5 C1 C6 109.49(6) . . . ?
C5 C1 C6 109.48(6) . . . ?
C5 C1 C7 49.16(8) . . . ?
C5 C1 C8 59.19(8) . . . ?
C5 C1 C8 59.20(8) . . . ?
C5 C1 H1 120.0(16) . . . no
C5 C1 H2 94.3(6) . . . no
C5 C1 H2 114.4(6) . . . no
C5 C1 H2 94.3(6) . . . no
C5 C1 H2 114.4(6) . . . no
C5 C1 H3 94.7(13) . . . no
C5 C1 H3 94.7(13) . . . no
C5 C1 H4 41.1(6) . . . no
C5 C1 H4 164.0(5) . . . no
C5 C1 H4 104.4(6) . . . no
C5 C1 H4 104.4(6) . . . no
C5 C1 H5 126.8(8) . . . no
C5 C1 H7 61.2(6) . . . no
C5 C1 H7 61.2(6) . . . no
C6 C1 C6 108.22(4) . . . ?
C6 C1 C6 108.22(4) . . . ?
C6 C1 C7 134.10(12) . . . ?
C6 C1 C8 136.45(9) . . . ?
C6 C1 C8 136.46(9) . . . ?
C6 C1 H1 35.1(16) . . . no
C6 C1 H2 14.5(5) . . . no
C6 C1 H2 122.1(4) . . . no
C6 C1 H2 14.5(5) . . . no
C6 C1 H2 122.1(4) . . . no
C6 C1 H3 103.1(10) . . . no
C6 C1 H3 103.1(10) . . . no
C6 C1 H4 43.9(5) . . . no
C6 C1 H4 111.0(5) . . . no
C6 C1 H4 66.2(5) . . . no
C6 C1 H4 66.2(5) . . . no
C6 C1 H5 148.3(8) . . . no
C6 C1 H7 123.6(5) . . . no
C6 C1 H7 123.6(5) . . . no
C6 C1 C6 128.01(12) 3_665 3_665 3_665 ?
C6 C1 C7 90.17(6) 3_665 3_665 3_665 ?
C6 C1 C8 106.71(7) 3_665 3_665 3_665 ?
C6 C1 C8 67.32(6) 3_665 3_665 3_665 ?
C6 C1 H1 94.5(7) 3_665 3_665 3_665 no
C6 C1 H2 115.2(5) 3_665 3_665 3_665 no
C6 C1 H2 15.2(6) 3_665 3_665 3_665 no
C6 C1 H2 94.6(5) 3_665 3_665 3_665 no
C6 C1 H2 113.9(6) 3_665 3_665 3_665 no
C6 C1 H3 15.5(14) 3_665 3_665 3_665 no
C6 C1 H3 141.6(13) 3_665 3_665 3_665 no
C6 C1 H4 116.00(6) 3_665 3_665 3_665 no
C6 C1 H4 66.48(12) 3_665 3_665 3_665 no
C6 C1 H4 42.1(5) 3_665 3_665 3_665 no
C6 C1 H4 145.0(6) 3_665 3_665 3_665 no
C6 C1 H5 64.69(11) 3_665 3_665 3_665 no
C6 C1 H7 124.5(5) 3_665 3_665 3_665 no
C6 C1 H7 54.1(6) 3_665 3_665 3_665 no
C6 C1 C7 90.17(6) 3_765 3_765 3_765 ?
C6 C1 C8 67.32(6) 3_765 3_765 3_765 ?
C6 C1 C8 106.71(7) 3_765 3_765 3_765 ?
C6 C1 H1 94.5(7) 3_765 3_765 3_765 no
C6 C1 H2 94.6(5) 3_765 3_765 3_765 no
C6 C1 H2 114.0(6) 3_765 3_765 3_765 no
C6 C1 H2 115.2(5) 3_765 3_765 3_765 no
C6 C1 H2 15.2(6) 3_765 3_765 3_765 no
C6 C1 H3 141.6(13) 3_765 3_765 3_765 no
C6 C1 H3 15.5(14) 3_765 3_765 3_765 no
C6 C1 H4 115.99(6) 3_765 3_765 3_765 no
C6 C1 H4 66.49(12) 3_765 3_765 3_765 no
C6 C1 H4 145.0(6) 3_765 3_765 3_765 no
C6 C1 H4 42.1(5) 3_765 3_765 3_765 no
C6 C1 H5 64.70(11) 3_765 3_765 3_765 no
C6 C1 H7 54.1(6) 3_765 3_765 3_765 no
C6 C1 H7 124.5(5) 3_765 3_765 3_765 no
C7 C1 C8 23.12(5) . . . ?
C7 C1 C8 23.12(5) . . . ?
C7 C1 H1 169.2(16) . . . no
C7 C1 H2 142.1(5) . . . no
C7 C1 H2 83.9(4) . . . no
C7 C1 H2 142.1(5) . . . no
C7 C1 H2 83.9(4) . . . no
C7 C1 H3 83.6(9) . . . no
C7 C1 H3 83.6(9) . . . no
C7 C1 H4 90.2(6) . . . no
C7 C1 H4 114.9(5) . . . no
C7 C1 H4 119.1(5) . . . no
C7 C1 H4 119.1(5) . . . no
C7 C1 H5 77.6(8) . . . no
C7 C1 H7 39.9(5) . . . no
C7 C1 H7 39.9(5) . . . no
C8 C1 C8 43.98(9) . . . ?
C8 C1 H1 157.7(2) . . . no
C8 C1 H2 136.3(5) . . . no
C8 C1 H2 96.5(4) . . . no
C8 C1 H2 150.1(6) . . . no
C8 C1 H2 62.7(5) . . . no
C8 C1 H3 103.7(8) . . . no
C8 C1 H3 60.6(8) . . . no
C8 C1 H4 97.0(5) . . . no
C8 C1 H4 106.2(5) . . . no
C8 C1 H4 141.6(4) . . . no
C8 C1 H4 97.6(4) . . . no
C8 C1 H5 71.8(8) . . . no
C8 C1 H7 18.4(4) . . . no
C8 C1 H7 62.0(5) . . . no
C8 C1 H1 157.7(2) 2_755 2_755 2_755 no
C8 C1 H2 150.1(6) 2_755 2_755 2_755 no
C8 C1 H2 62.7(5) 2_755 2_755 2_755 no
C8 C1 H2 136.3(5) 2_755 2_755 2_755 no
C8 C1 H2 96.5(4) 2_755 2_755 2_755 no
C8 C1 H3 60.6(8) 2_755 2_755 2_755 no
C8 C1 H3 103.7(8) 2_755 2_755 2_755 no
C8 C1 H4 97.0(5) 2_755 2_755 2_755 no
C8 C1 H4 106.2(5) 2_755 2_755 2_755 no
C8 C1 H4 97.7(4) 2_755 2_755 2_755 no
C8 C1 H4 141.6(4) 2_755 2_755 2_755 no
C8 C1 H5 71.8(8) 2_755 2_755 2_755 no
C8 C1 H7 62.0(5) 2_755 2_755 2_755 no
C8 C1 H7 18.4(4) 2_755 2_755 2_755 no
H1 C1 H2 27.8(16) . . . no
H1 C1 H2 102.9(11) . . . no
H1 C1 H2 27.8(16) . . . no
H1 C1 H2 102.9(11) . . . no
H1 C1 H3 98.6(9) . . . no
H1 C1 H3 98.6(9) . . . no
H1 C1 H4 79.0(17) . . . no
H1 C1 H4 76.0(17) . . . no
H1 C1 H4 60.3(4) . . . no
H1 C1 H4 60.3(4) . . . no
H1 C1 H5 113.2(19) . . . no
H1 C1 H7 139.3(5) . . . no
H1 C1 H7 139.3(5) . . . no
H2 C1 H2 127.0(6) . . . no
H2 C1 H2 22.1(9) . . . no
H2 C1 H2 108.0(4) . . . no
H2 C1 H3 113.3(11) . . . no
H2 C1 H3 91.3(9) . . . no
H2 C1 H4 54.1(8) . . . no
H2 C1 H4 101.4(8) . . . no
H2 C1 H4 74.3(7) . . . no
H2 C1 H4 52.8(7) . . . no
H2 C1 H5 137.6(10) . . . no
H2 C1 H7 119.9(7) . . . no
H2 C1 H7 138.1(7) . . . no
H2 C1 H2 108.0(4) 4_465 4_465 4_465 no
H2 C1 H2 99.4(13) 4_465 4_465 4_465 no
H2 C1 H3 27.8(15) 4_465 4_465 4_465 no
H2 C1 H3 126.7(14) 4_465 4_465 4_465 no
H2 C1 H4 129.7(7) 4_465 4_465 4_465 no
H2 C1 H4 57.7(7) 4_465 4_465 4_465 no
H2 C1 H4 56.4(8) 4_465 4_465 4_465 no
H2 C1 H4 140.6(8) 4_465 4_465 4_465 no
H2 C1 H5 49.7(6) 4_465 4_465 4_465 no
H2 C1 H7 113.0(7) 4_465 4_465 4_465 no
H2 C1 H7 54.0(9) 4_465 4_465 4_465 no
H2 C1 H2 127.0(6) 2_755 2_755 2_755 no
H2 C1 H3 91.3(9) 2_755 2_755 2_755 no
H2 C1 H3 113.3(11) 2_755 2_755 2_755 no
H2 C1 H4 54.1(8) 2_755 2_755 2_755 no
H2 C1 H4 101.4(8) 2_755 2_755 2_755 no
H2 C1 H4 52.8(7) 2_755 2_755 2_755 no
H2 C1 H4 74.3(7) 2_755 2_755 2_755 no
H2 C1 H5 137.6(10) 2_755 2_755 2_755 no
H2 C1 H7 138.1(7) 2_755 2_755 2_755 no
H2 C1 H7 119.9(7) 2_755 2_755 2_755 no
H2 C1 H3 126.7(14) 3_765 3_765 3_765 no
H2 C1 H3 27.8(15) 3_765 3_765 3_765 no
H2 C1 H4 129.7(7) 3_765 3_765 3_765 no
H2 C1 H4 57.7(7) 3_765 3_765 3_765 no
H2 C1 H4 140.6(8) 3_765 3_765 3_765 no
H2 C1 H4 56.4(8) 3_765 3_765 3_765 no
H2 C1 H5 49.8(6) 3_765 3_765 3_765 no
H2 C1 H7 54.0(9) 3_765 3_765 3_765 no
H2 C1 H7 113.0(7) 3_765 3_765 3_765 no
H3 C1 H3 152.9(23) 3_665 3_665 3_665 no
H3 C1 H4 101.9(14) 3_665 3_665 3_665 no
H3 C1 H4 82.0(14) 3_665 3_665 3_665 no
H3 C1 H4 39.5(9) 3_665 3_665 3_665 no
H3 C1 H4 156.6(12) 3_665 3_665 3_665 no
H3 C1 H5 77.0(13) 3_665 3_665 3_665 no
H3 C1 H7 122.1(9) 3_665 3_665 3_665 no
H3 C1 H7 44.4(11) 3_665 3_665 3_665 no
H3 C1 H4 101.9(14) 3_765 3_765 3_765 no
H3 C1 H4 82.0(14) 3_765 3_765 3_765 no
H3 C1 H4 156.6(12) 3_765 3_765 3_765 no
H3 C1 H4 39.5(9) 3_765 3_765 3_765 no
H3 C1 H5 77.0(13) 3_765 3_765 3_765 no
H3 C1 H7 44.4(11) 3_765 3_765 3_765 no
H3 C1 H7 122.1(9) 3_765 3_765 3_765 no
H4 C1 H4 154.9(10) . . . no
H4 C1 H4 84.7(6) . . . no
H4 C1 H4 84.6(6) . . . no
H4 C1 H5 167.9(10) . . . no
H4 C1 H7 91.7(8) . . . no
H4 C1 H7 91.7(8) . . . no
H4 C1 H4 83.0(6) 1_556 1_556 1_556 no
H4 C1 H4 83.0(6) 1_556 1_556 1_556 no
H4 C1 H5 37.2(9) 1_556 1_556 1_556 no
H4 C1 H7 107.3(7) 1_556 1_556 1_556 no
H4 C1 H7 107.3(7) 1_556 1_556 1_556 no
H4 C1 H4 120.6(9) 3_665 3_665 3_665 no
H4 C1 H5 101.1(8) 3_665 3_665 3_665 no
H4 C1 H7 158.9(6) 3_665 3_665 3_665 no
H4 C1 H7 79.6(7) 3_665 3_665 3_665 no
H4 C1 H5 101.2(8) 3_765 3_765 3_765 no
H4 C1 H7 79.6(7) 3_765 3_765 3_765 no
H4 C1 H7 158.9(6) 3_765 3_765 3_765 no
H5 C1 H7 79.0(9) 1_556 1_556 1_556 no
H5 C1 H7 79.0(9) 1_556 1_556 1_556 no
H7 C1 H7 79.7(9) . . . no
Cl1 C2 O1 61.77(6) 3_765 3_765 3_765 ?
Cl1 C2 O1 89.57(5) 3_765 3_765 3_765 ?
Cl1 C2 O1 89.58(5) 3_765 3_765 3_765 ?
Cl1 C2 N1 102.67(7) 3_765 3_765 3_765 ?
Cl1 C2 N2 43.54(11) 3_765 3_765 3_765 ?
Cl1 C2 C1 71.78(8) 3_765 3_765 3_765 ?
Cl1 C2 C3 162.9(1) 3_765 3_765 3_765 ?
Cl1 C2 C4 132.47(9) 3_765 3_765 3_765 ?
Cl1 C2 C5 143.12(8) 3_765 3_765 3_765 ?
Cl1 C2 C6 72.6(2) 3_765 3_765 3_765 ?
Cl1 C2 H1 10.7(15) 3_765 3_765 3_765 no
Cl1 C2 H2 59.2(11) 3_765 3_765 3_765 no
Cl1 C2 H2 59.2(11) 3_765 3_765 3_765 no
Cl1 C2 H3 99.3(20) 3_765 3_765 3_765 no
Cl1 C2 H4 175.3(10) 3_765 3_765 3_765 no
Cl1 C2 H4 63.3(6) 3_765 3_765 3_765 no
Cl1 C2 H4 63.3(6) 3_765 3_765 3_765 no
Cl1 C2 H5 156.5(8) 3_765 3_765 3_765 no
O1 C2 O1 111.45(6) . . . ?
O1 C2 O1 111.45(6) . . . ?
O1 C2 N1 40.91(6) . . . ?
O1 C2 N2 18.23(11) . . . ?
O1 C2 C1 10.01(7) . . . ?
O1 C2 C3 101.18(13) . . . ?
O1 C2 C4 70.70(7) . . . ?
O1 C2 C5 81.35(7) . . . ?
O1 C2 C6 134.4(2) . . . ?
O1 C2 H1 51.1(15) . . . no
O1 C2 H2 116.3(11) . . . no
O1 C2 H2 116.3(11) . . . no
O1 C2 H3 161.1(20) . . . no
O1 C2 H4 123.0(10) . . . no
O1 C2 H4 69.5(6) . . . no
O1 C2 H4 69.5(6) . . . no
O1 C2 H5 94.7(8) . . . no
O1 C2 O1 130.45(9) 3_664 3_664 3_664 ?
O1 C2 N1 114.23(5) 3_664 3_664 3_664 ?
O1 C2 N2 106.45(7) 3_664 3_664 3_664 ?
O1 C2 C1 113.31(5) 3_664 3_664 3_664 ?
O1 C2 C3 97.47(7) 3_664 3_664 3_664 ?
O1 C2 C4 108.30(5) 3_664 3_664 3_664 ?
O1 C2 C5 104.91(5) 3_664 3_664 3_664 ?
O1 C2 C6 66.30(5) 3_664 3_664 3_664 ?
O1 C2 H1 94.0(6) 3_664 3_664 3_664 no
O1 C2 H2 90.1(9) 3_664 3_664 3_664 no
O1 C2 H2 48.6(8) 3_664 3_664 3_664 no
O1 C2 H3 65.7(2) 3_664 3_664 3_664 no
O1 C2 H4 88.4(4) 3_664 3_664 3_664 no
O1 C2 H4 42.6(6) 3_664 3_664 3_664 no
O1 C2 H4 149.4(5) 3_664 3_664 3_664 no
O1 C2 H5 100.0(3) 3_664 3_664 3_664 no
O1 C2 N1 114.23(5) 3_764 3_764 3_764 ?
O1 C2 N2 106.46(7) 3_764 3_764 3_764 ?
O1 C2 C1 113.31(5) 3_764 3_764 3_764 ?
O1 C2 C3 97.46(7) 3_764 3_764 3_764 ?
O1 C2 C4 108.30(5) 3_764 3_764 3_764 ?
O1 C2 C5 104.91(5) 3_764 3_764 3_764 ?
O1 C2 C6 66.30(5) 3_764 3_764 3_764 ?
O1 C2 H1 94.0(6) 3_764 3_764 3_764 no
O1 C2 H2 48.6(8) 3_764 3_764 3_764 no
O1 C2 H2 90.1(9) 3_764 3_764 3_764 no
O1 C2 H3 65.7(2) 3_764 3_764 3_764 no
O1 C2 H4 88.4(4) 3_764 3_764 3_764 no
O1 C2 H4 149.4(5) 3_764 3_764 3_764 no
O1 C2 H4 42.6(6) 3_764 3_764 3_764 no
O1 C2 H5 100.0(3) 3_764 3_764 3_764 no
N1 C2 N2 59.13(12) . . . ?
N1 C2 C1 30.89(7) . . . ?
N1 C2 C3 60.27(12) . . . ?
N1 C2 C4 29.80(7) . . . ?
N1 C2 C5 40.45(7) . . . ?
N1 C2 C6 175.3(2) . . . ?
N1 C2 H1 92.0(15) . . . no
N1 C2 H2 150.6(10) . . . no
N1 C2 H2 150.6(10) . . . no
N1 C2 H3 158.0(20) . . . no
N1 C2 H4 82.1(10) . . . no
N1 C2 H4 86.9(5) . . . no
N1 C2 H4 86.9(5) . . . no
N1 C2 H5 53.8(8) . . . no
N2 C2 C1 28.24(11) . . . ?
N2 C2 C3 119.4(2) . . . ?
N2 C2 C4 88.9(1) . . . ?
N2 C2 C5 99.6(1) . . . ?
N2 C2 C6 116.1(2) . . . ?
N2 C2 H1 32.9(15) . . . no
N2 C2 H2 99.5(12) . . . no
N2 C2 H2 99.5(12) . . . no
N2 C2 H3 142.9(20) . . . no
N2 C2 H4 141.2(10) . . . no
N2 C2 H4 64.3(6) . . . no
N2 C2 H4 64.3(6) . . . no
N2 C2 H5 113.0(9) . . . no
C1 C2 C3 91.2(1) . . . ?
C1 C2 C4 60.69(9) . . . ?
C1 C2 C5 71.34(9) . . . ?
C1 C2 C6 144.4(2) . . . ?
C1 C2 H1 61.1(15) . . . no
C1 C2 H2 125.4(11) . . . no
C1 C2 H2 125.4(11) . . . no
C1 C2 H3 171.1(20) . . . no
C1 C2 H4 113.0(10) . . . no
C1 C2 H4 73.2(6) . . . no
C1 C2 H4 73.2(6) . . . no
C1 C2 H5 84.7(8) . . . no
C3 C2 C4 30.47(11) . . . ?
C3 C2 C5 19.82(10) . . . ?
C3 C2 C6 124.5(2) . . . ?
C3 C2 H1 152.3(15) . . . no
C3 C2 H2 135.8(11) . . . no
C3 C2 H2 135.8(11) . . . no
C3 C2 H3 97.7(20) . . . no
C3 C2 H4 21.8(10) . . . no
C3 C2 H4 112.5(5) . . . no
C3 C2 H4 112.5(5) . . . no
C3 C2 H5 6.4(8) . . . no
C4 C2 C5 10.65(7) . . . ?
C4 C2 C6 154.9(2) . . . ?
C4 C2 H1 121.8(15) . . . no
C4 C2 H2 156.8(9) . . . no
C4 C2 H2 156.8(9) . . . no
C4 C2 H3 128.2(20) . . . no
C4 C2 H4 52.3(10) . . . no
C4 C2 H4 100.8(5) . . . no
C4 C2 H4 100.8(5) . . . no
C4 C2 H5 24.0(8) . . . no
C5 C2 C6 144.3(2) . . . ?
C5 C2 H1 132.4(15) . . . no
C5 C2 H2 151.1(10) . . . no
C5 C2 H2 151.2(10) . . . no
C5 C2 H3 117.5(20) . . . no
C5 C2 H4 41.6(10) . . . no
C5 C2 H4 105.4(5) . . . no
C5 C2 H4 105.4(5) . . . no
C5 C2 H5 13.4(8) . . . no
C6 C2 H1 83.3(15) . . . no
C6 C2 H2 26.5(10) . . . no
C6 C2 H2 26.5(10) . . . no
C6 C2 H3 26.7(20) . . . no
C6 C2 H4 102.7(10) . . . no
C6 C2 H4 90.9(5) . . . no
C6 C2 H4 90.9(5) . . . no
C6 C2 H5 130.9(9) . . . no
H1 C2 H2 69.0(18) . . . no
H1 C2 H2 69.0(18) . . . no
H1 C2 H3 110.0(25) . . . no
H1 C2 H4 174.1(20) . . . no
H1 C2 H4 61.9(6) . . . no
H1 C2 H4 61.9(6) . . . no
H1 C2 H5 145.8(17) . . . no
H2 C2 H2 42.9(17) . . . no
H2 C2 H3 46.8(20) . . . no
H2 C2 H4 116.5(15) . . . no
H2 C2 H4 102.4(11) . . . no
H2 C2 H4 64.6(11) . . . no
H2 C2 H5 141.2(12) . . . no
H2 C2 H3 46.8(20) 2_755 2_755 2_755 no
H2 C2 H4 116.5(15) 2_755 2_755 2_755 no
H2 C2 H4 64.6(11) 2_755 2_755 2_755 no
H2 C2 H4 102.4(11) 2_755 2_755 2_755 no
H2 C2 H5 141.2(12) 2_755 2_755 2_755 no
H3 C2 H4 75.9(22) . . . no
H3 C2 H4 103.2(10) . . . no
H3 C2 H4 103.2(10) . . . no
H3 C2 H5 104.1(20) . . . no
H4 C2 H4 117.4(5) . . . no
H4 C2 H4 117.4(5) . . . no
H4 C2 H5 28.2(13) . . . no
H4 C2 H4 123.2(11) 3_665 3_665 3_665 no
H4 C2 H5 110.4(6) 3_665 3_665 3_665 no
H4 C2 H5 110.4(6) 3_765 3_765 3_765 no
Cl1 C3 Cl1 131.23(6) . . . ?
Cl1 C3 O1 94.49(5) . . . ?
Cl1 C3 N1 67.23(3) . . . ?
Cl1 C3 N2 85.87(5) . . . ?
Cl1 C3 N2 165.67(8) . . . ?
Cl1 C3 N2 47.60(3) . . . ?
Cl1 C3 C1 74.77(4) . . . ?
Cl1 C3 C2 98.02(6) . . . ?
Cl1 C3 C4 65.97(3) . . . ?
Cl1 C3 C5 71.47(4) . . . ?
Cl1 C3 C6 108.08(5) . . . ?
Cl1 C3 C7 66.01(3) . . . ?
Cl1 C3 H1 91.5(4) . . . no
Cl1 C3 H1 155.9(8) . . . no
Cl1 C3 H1 32.0(9) . . . no
Cl1 C3 H2 93.3(6) . . . no
Cl1 C3 H2 125.7(4) . . . no
Cl1 C3 H2 119.4(6) . . . no
Cl1 C3 H2 51.0(5) . . . no
Cl1 C3 H3 113.0(3) . . . no
Cl1 C3 H4 104.2(8) . . . no
Cl1 C3 H5 78.2(5) . . . no
Cl1 C3 H6 58.0(7) . . . no
Cl1 C3 H6 82.8(6) . . . no
Cl1 C3 O1 94.50(5) 1_455 1_455 1_455 ?
Cl1 C3 N1 67.22(3) 1_455 1_455 1_455 ?
Cl1 C3 N2 85.86(5) 1_455 1_455 1_455 ?
Cl1 C3 N2 47.60(3) 1_455 1_455 1_455 ?
Cl1 C3 N2 165.67(8) 1_455 1_455 1_455 ?
Cl1 C3 C1 74.76(4) 1_455 1_455 1_455 ?
Cl1 C3 C2 98.01(6) 1_455 1_455 1_455 ?
Cl1 C3 C4 65.97(3) 1_455 1_455 1_455 ?
Cl1 C3 C5 71.48(4) 1_455 1_455 1_455 ?
Cl1 C3 C6 108.08(5) 1_455 1_455 1_455 ?
Cl1 C3 C7 66.01(3) 1_455 1_455 1_455 ?
Cl1 C3 H1 91.5(4) 1_455 1_455 1_455 no
Cl1 C3 H1 32.0(9) 1_455 1_455 1_455 no
Cl1 C3 H1 155.9(8) 1_455 1_455 1_455 no
Cl1 C3 H2 119.4(6) 1_455 1_455 1_455 no
Cl1 C3 H2 51.0(5) 1_455 1_455 1_455 no
Cl1 C3 H2 93.3(6) 1_455 1_455 1_455 no
Cl1 C3 H2 125.7(4) 1_455 1_455 1_455 no
Cl1 C3 H3 113.0(3) 1_455 1_455 1_455 no
Cl1 C3 H4 104.2(8) 1_455 1_455 1_455 no
Cl1 C3 H5 78.2(5) 1_455 1_455 1_455 no
Cl1 C3 H6 82.8(6) 1_455 1_455 1_455 no
Cl1 C3 H6 58.0(7) 1_455 1_455 1_455 no
O1 C3 N1 121.30(10) 1_554 1_554 1_554 ?
O1 C3 N2 179.12(10) 1_554 1_554 1_554 ?
O1 C3 N2 72.17(5) 1_554 1_554 1_554 ?
O1 C3 N2 72.16(5) 1_554 1_554 1_554 ?
O1 C3 C1 151.41(10) 1_554 1_554 1_554 ?
O1 C3 C2 149.3(1) 1_554 1_554 1_554 ?
O1 C3 C4 91.4(1) 1_554 1_554 1_554 ?
O1 C3 C5 61.25(9) 1_554 1_554 1_554 ?
O1 C3 C6 120.32(12) 1_554 1_554 1_554 ?
O1 C3 C7 110.96(8) 1_554 1_554 1_554 ?
O1 C3 H1 165.5(10) 1_554 1_554 1_554 no
O1 C3 H1 75.4(10) 1_554 1_554 1_554 no
O1 C3 H1 75.4(10) 1_554 1_554 1_554 no
O1 C3 H2 124.7(7) 1_554 1_554 1_554 no
O1 C3 H2 44.0(5) 1_554 1_554 1_554 no
O1 C3 H2 124.7(7) 1_554 1_554 1_554 no
O1 C3 H2 44.0(5) 1_554 1_554 1_554 no
O1 C3 H3 97.8(19) 1_554 1_554 1_554 no
O1 C3 H4 25.5(22) 1_554 1_554 1_554 no
O1 C3 H5 40.5(13) 1_554 1_554 1_554 no
O1 C3 H6 66.0(9) 1_554 1_554 1_554 no
O1 C3 H6 66.0(9) 1_554 1_554 1_554 no
N1 C3 N2 59.58(9) . . . ?
N1 C3 N2 114.77(4) . . . ?
N1 C3 N2 114.77(4) . . . ?
N1 C3 C1 30.11(7) . . . ?
N1 C3 C2 89.4(1) . . . ?
N1 C3 C4 29.92(11) . . . ?
N1 C3 C5 60.05(9) . . . ?
N1 C3 C6 118.4(1) . . . ?
N1 C3 C7 10.34(6) . . . ?
N1 C3 H1 73.2(9) . . . no
N1 C3 H1 99.1(9) . . . no
N1 C3 H1 99.1(9) . . . no
N1 C3 H2 112.1(7) . . . no
N1 C3 H2 101.9(5) . . . no
N1 C3 H2 112.1(7) . . . no
N1 C3 H2 101.9(5) . . . no
N1 C3 H3 140.9(19) . . . no
N1 C3 H4 146.8(23) . . . no
N1 C3 H5 80.8(13) . . . no
N1 C3 H6 56.9(9) . . . no
N1 C3 H6 56.9(9) . . . no
N2 C3 N2 107.55(5) . . . ?
N2 C3 N2 107.55(5) . . . ?
N2 C3 C1 29.47(7) . . . ?
N2 C3 C2 29.79(11) . . . ?
N2 C3 C4 89.5(1) . . . ?
N2 C3 C5 119.63(11) . . . ?
N2 C3 C6 58.80(11) . . . ?
N2 C3 C7 69.92(8) . . . ?
N2 C3 H1 13.6(9) . . . no
N2 C3 H1 104.6(10) . . . no
N2 C3 H1 104.6(10) . . . no
N2 C3 H2 54.4(7) . . . no
N2 C3 H2 136.3(5) . . . no
N2 C3 H2 54.4(7) . . . no
N2 C3 H2 136.3(5) . . . no
N2 C3 H3 81.3(19) . . . no
N2 C3 H4 153.6(23) . . . no
N2 C3 H5 140.3(13) . . . no
N2 C3 H6 114.8(9) . . . no
N2 C3 H6 114.8(9) . . . no
N2 C3 N2 128.86(8) 3_664 3_664 3_664 ?
N2 C3 C1 114.48(5) 3_664 3_664 3_664 ?
N2 C3 C2 96.21(7) 3_664 3_664 3_664 ?
N2 C3 C4 108.15(6) 3_664 3_664 3_664 ?
N2 C3 C5 96.86(6) 3_664 3_664 3_664 ?
N2 C3 C6 83.80(6) 3_664 3_664 3_664 ?
N2 C3 C7 113.18(4) 3_664 3_664 3_664 ?
N2 C3 H1 102.7(4) 3_664 3_664 3_664 no
N2 C3 H1 16.4(9) 3_664 3_664 3_664 no
N2 C3 H1 141.8(10) 3_664 3_664 3_664 no
N2 C3 H2 98.6(6) 3_664 3_664 3_664 no
N2 C3 H2 40.4(4) 3_664 3_664 3_664 no
N2 C3 H2 73.8(6) 3_664 3_664 3_664 no
N2 C3 H2 116.1(5) 3_664 3_664 3_664 no
N2 C3 H3 75.0(7) 3_664 3_664 3_664 no
N2 C3 H4 66.0(4) 3_664 3_664 3_664 no
N2 C3 H5 88.0(6) 3_664 3_664 3_664 no
N2 C3 H6 110.2(7) 3_664 3_664 3_664 no
N2 C3 H6 86.8(7) 3_664 3_664 3_664 no
N2 C3 C1 114.49(5) 3_764 3_764 3_764 ?
N2 C3 C2 96.22(7) 3_764 3_764 3_764 ?
N2 C3 C4 108.15(6) 3_764 3_764 3_764 ?
N2 C3 C5 96.85(6) 3_764 3_764 3_764 ?
N2 C3 C6 83.80(6) 3_764 3_764 3_764 ?
N2 C3 C7 113.18(4) 3_764 3_764 3_764 ?
N2 C3 H1 102.7(4) 3_764 3_764 3_764 no
N2 C3 H1 141.8(10) 3_764 3_764 3_764 no
N2 C3 H1 16.4(9) 3_764 3_764 3_764 no
N2 C3 H2 73.8(6) 3_764 3_764 3_764 no
N2 C3 H2 116.1(5) 3_764 3_764 3_764 no
N2 C3 H2 98.6(6) 3_764 3_764 3_764 no
N2 C3 H2 40.4(4) 3_764 3_764 3_764 no
N2 C3 H3 75.0(7) 3_764 3_764 3_764 no
N2 C3 H4 65.9(4) 3_764 3_764 3_764 no
N2 C3 H5 88.0(6) 3_764 3_764 3_764 no
N2 C3 H6 86.8(7) 3_764 3_764 3_764 no
N2 C3 H6 110.2(7) 3_764 3_764 3_764 no
C1 C3 C2 59.26(12) . . . ?
C1 C3 C4 60.04(12) . . . ?
C1 C3 C5 90.16(10) . . . ?
C1 C3 C6 88.27(12) . . . ?
C1 C3 C7 40.45(6) . . . ?
C1 C3 H1 43.1(9) . . . no
C1 C3 H1 103.7(10) . . . no
C1 C3 H1 103.7(10) . . . no
C1 C3 H2 82.9(7) . . . no
C1 C3 H2 122.6(5) . . . no
C1 C3 H2 82.9(7) . . . no
C1 C3 H2 122.6(5) . . . no
C1 C3 H3 110.7(19) . . . no
C1 C3 H4 177.0(23) . . . no
C1 C3 H5 110.9(13) . . . no
C1 C3 H6 86.2(9) . . . no
C1 C3 H6 86.2(9) . . . no
C2 C3 C4 119.3(2) . . . ?
C2 C3 C5 149.4(2) . . . ?
C2 C3 C6 29.01(13) . . . ?
C2 C3 C7 99.72(13) . . . ?
C2 C3 H1 16.2(9) . . . no
C2 C3 H1 101.6(9) . . . no
C2 C3 H1 101.6(9) . . . no
C2 C3 H2 26.9(7) . . . no
C2 C3 H2 135.9(4) . . . no
C2 C3 H2 26.9(7) . . . no
C2 C3 H2 135.9(4) . . . no
C2 C3 H3 51.5(19) . . . no
C2 C3 H4 123.8(23) . . . no
C2 C3 H5 170.1(13) . . . no
C2 C3 H6 143.3(9) . . . no
C2 C3 H6 143.3(9) . . . no
C4 C3 C5 30.13(12) . . . ?
C4 C3 C6 148.3(2) . . . ?
C4 C3 C7 19.58(11) . . . ?
C4 C3 H1 103.1(9) . . . no
C4 C3 H1 92.1(8) . . . no
C4 C3 H1 92.1(8) . . . no
C4 C3 H2 140.6(7) . . . no
C4 C3 H2 79.7(4) . . . no
C4 C3 H2 140.6(7) . . . no
C4 C3 H2 79.7(4) . . . no
C4 C3 H3 170.8(19) . . . no
C4 C3 H4 116.9(23) . . . no
C4 C3 H5 50.8(13) . . . no
C4 C3 H6 28.8(9) . . . no
C4 C3 H6 28.8(9) . . . no
C5 C3 C6 178.4(2) . . . ?
C5 C3 C7 49.71(9) . . . ?
C5 C3 H1 133.3(9) . . . no
C5 C3 H1 84.6(8) . . . no
C5 C3 H1 84.6(8) . . . no
C5 C3 H2 164.5(6) . . . no
C5 C3 H2 58.8(4) . . . no
C5 C3 H2 164.5(6) . . . no
C5 C3 H2 58.8(4) . . . no
C5 C3 H3 159.1(19) . . . no
C5 C3 H4 86.8(23) . . . no
C5 C3 H5 20.7(13) . . . no
C5 C3 H6 13.5(7) . . . no
C5 C3 H6 13.5(7) . . . no
C6 C3 C7 128.72(12) . . . ?
C6 C3 H1 45.2(10) . . . no
C6 C3 H1 95.8(8) . . . no
C6 C3 H1 95.8(8) . . . no
C6 C3 H2 14.8(6) . . . no
C6 C3 H2 122.1(4) . . . no
C6 C3 H2 14.8(6) . . . no
C6 C3 H2 122.1(4) . . . no
C6 C3 H3 22.5(18) . . . no
C6 C3 H4 94.8(23) . . . no
C6 C3 H5 160.9(13) . . . no
C6 C3 H6 166.0(7) . . . no
C6 C3 H6 166.0(7) . . . no
C7 C3 H1 83.5(9) . . . no
C7 C3 H1 96.8(9) . . . no
C7 C3 H1 96.8(9) . . . no
C7 C3 H2 122.1(7) . . . no
C7 C3 H2 94.3(4) . . . no
C7 C3 H2 122.1(7) . . . no
C7 C3 H2 94.3(4) . . . no
C7 C3 H3 151.2(19) . . . no
C7 C3 H4 136.5(23) . . . no
C7 C3 H5 70.4(13) . . . no
C7 C3 H6 47.0(9) . . . no
C7 C3 H6 47.0(9) . . . no
H1 C3 H1 103.7(9) . . . no
H1 C3 H1 103.7(9) . . . no
H1 C3 H2 41.5(11) . . . no
H1 C3 H2 138.2(5) . . . no
H1 C3 H2 41.5(11) . . . no
H1 C3 H2 138.2(5) . . . no
H1 C3 H3 67.6(20) . . . no
H1 C3 H4 139.9(27) . . . no
H1 C3 H5 154.0(16) . . . no
H1 C3 H6 128.0(13) . . . no
H1 C3 H6 128.0(13) . . . no
H1 C3 H1 150.5(20) 3_664 3_664 3_664 no
H1 C3 H2 110.4(10) 3_664 3_664 3_664 no
H1 C3 H2 34.9(10) 3_664 3_664 3_664 no
H1 C3 H2 83.7(10) 3_664 3_664 3_664 no
H1 C3 H2 117.9(11) 3_664 3_664 3_664 no
H1 C3 H3 90.2(9) 3_664 3_664 3_664 no
H1 C3 H4 76.0(10) 3_664 3_664 3_664 no
H1 C3 H5 80.1(9) 3_664 3_664 3_664 no
H1 C3 H6 98.0(11) 3_664 3_664 3_664 no
H1 C3 H6 73.1(10) 3_664 3_664 3_664 no
H1 C3 H2 83.7(10) 3_764 3_764 3_764 no
H1 C3 H2 117.9(11) 3_764 3_764 3_764 no
H1 C3 H2 110.4(10) 3_764 3_764 3_764 no
H1 C3 H2 34.9(10) 3_764 3_764 3_764 no
H1 C3 H3 90.2(9) 3_764 3_764 3_764 no
H1 C3 H4 76.0(10) 3_764 3_764 3_764 no
H1 C3 H5 80.1(9) 3_764 3_764 3_764 no
H1 C3 H6 73.1(10) 3_764 3_764 3_764 no
H1 C3 H6 98.0(11) 3_764 3_764 3_764 no
H2 C3 H2 136.2(8) . . . no
H2 C3 H2 27.5(11) . . . no
H2 C3 H2 113.9(5) . . . no
H2 C3 H3 31.0(18) . . . no
H2 C3 H4 100.1(24) . . . no
H2 C3 H5 160.8(11) . . . no
H2 C3 H6 151.1(11) . . . no
H2 C3 H6 169.0(11) . . . no
H2 C3 H2 113.9(5) 4_464 4_464 4_464 no
H2 C3 H2 83.6(9) 4_464 4_464 4_464 no
H2 C3 H3 107.0(14) 4_464 4_464 4_464 no
H2 C3 H4 55.6(14) 4_464 4_464 4_464 no
H2 C3 H5 47.6(7) 4_464 4_464 4_464 no
H2 C3 H6 71.5(8) 4_464 4_464 4_464 no
H2 C3 H6 52.1(8) 4_464 4_464 4_464 no
H2 C3 H2 136.2(8) 2_755 2_755 2_755 no
H2 C3 H3 31.0(18) 2_755 2_755 2_755 no
H2 C3 H4 100.1(24) 2_755 2_755 2_755 no
H2 C3 H5 160.8(11) 2_755 2_755 2_755 no
H2 C3 H6 169.0(11) 2_755 2_755 2_755 no
H2 C3 H6 151.1(11) 2_755 2_755 2_755 no
H2 C3 H3 107.0(14) 3_764 3_764 3_764 no
H2 C3 H4 55.6(14) 3_764 3_764 3_764 no
H2 C3 H5 47.6(7) 3_764 3_764 3_764 no
H2 C3 H6 52.1(8) 3_764 3_764 3_764 no
H2 C3 H6 71.5(8) 3_764 3_764 3_764 no
H3 C3 H4 72.3(30) . . . no
H3 C3 H5 138.4(20) . . . no
H3 C3 H6 159.0(18) . . . no
H3 C3 H6 159.0(18) . . . no
H4 C3 H5 66.1(27) . . . no
H4 C3 H6 90.9(24) . . . no
H4 C3 H6 90.9(24) . . . no
H5 C3 H6 27.8(14) . . . no
H5 C3 H6 27.8(14) . . . no
H6 C3 H6 25.7(12) . . . no
Cl1 C4 Cl1 170.27(7) . . . ?
Cl1 C4 O1 85.38(4) . . . ?
Cl1 C4 O1 94.84(4) . . . ?
Cl1 C4 N1 85.14(4) . . . ?
Cl1 C4 N2 87.42(4) . . . ?
Cl1 C4 C1 85.69(4) . . . ?
Cl1 C4 C2 89.78(4) . . . ?
Cl1 C4 C3 92.26(4) . . . ?
Cl1 C4 C5 92.47(4) . . . ?
Cl1 C4 C6 90.60(4) . . . ?
Cl1 C4 C7 85.87(4) . . . ?
Cl1 C4 C8 64.75(5) . . . ?
Cl1 C4 C8 107.49(6) . . . ?
Cl1 C4 H1 87.71(8) . . . no
Cl1 C4 H1 156.7(8) . . . no
Cl1 C4 H1 31.5(8) . . . no
Cl1 C4 H2 136.5(5) . . . no
Cl1 C4 H2 52.9(5) . . . no
Cl1 C4 H4 93.82(7) . . . no
Cl1 C4 H5 94.00(8) . . . no
Cl1 C4 H6 71.4(10) . . . no
Cl1 C4 H6 111.5(10) . . . no
Cl1 C4 H7 46.8(5) . . . no
Cl1 C4 H7 125.0(5) . . . no
Cl1 C4 O1 85.36(4) 1_455 1_455 1_455 ?
Cl1 C4 O1 94.85(4) 1_455 1_455 1_455 ?
Cl1 C4 N1 85.13(4) 1_455 1_455 1_455 ?
Cl1 C4 N2 87.42(4) 1_455 1_455 1_455 ?
Cl1 C4 C1 85.68(4) 1_455 1_455 1_455 ?
Cl1 C4 C2 89.78(4) 1_455 1_455 1_455 ?
Cl1 C4 C3 92.26(4) 1_455 1_455 1_455 ?
Cl1 C4 C5 92.48(4) 1_455 1_455 1_455 ?
Cl1 C4 C6 90.59(4) 1_455 1_455 1_455 ?
Cl1 C4 C7 85.87(4) 1_455 1_455 1_455 ?
Cl1 C4 C8 107.49(6) 1_455 1_455 1_455 ?
Cl1 C4 C8 64.75(5) 1_455 1_455 1_455 ?
Cl1 C4 H1 87.70(8) 1_455 1_455 1_455 no
Cl1 C4 H1 31.5(8) 1_455 1_455 1_455 no
Cl1 C4 H1 156.7(8) 1_455 1_455 1_455 no
Cl1 C4 H2 52.9(5) 1_455 1_455 1_455 no
Cl1 C4 H2 136.5(5) 1_455 1_455 1_455 no
Cl1 C4 H4 93.82(7) 1_455 1_455 1_455 no
Cl1 C4 H5 94.01(8) 1_455 1_455 1_455 no
Cl1 C4 H6 111.5(10) 1_455 1_455 1_455 no
Cl1 C4 H6 71.4(10) 1_455 1_455 1_455 no
Cl1 C4 H7 125.0(5) 1_455 1_455 1_455 no
Cl1 C4 H7 46.8(5) 1_455 1_455 1_455 no
O1 C4 O1 167.38(9) . . . ?
O1 C4 N1 19.48(9) . . . ?
O1 C4 N2 40.14(6) . . . ?
O1 C4 C1 9.73(6) . . . ?
O1 C4 C2 69.65(8) . . . ?
O1 C4 C3 99.9(1) . . . ?
O1 C4 C5 138.4(2) . . . ?
O1 C4 C6 79.26(8) . . . ?
O1 C4 C7 49.64(8) . . . ?
O1 C4 C8 57.53(7) . . . ?
O1 C4 C8 57.53(7) . . . ?
O1 C4 H1 44.0(9) . . . no
O1 C4 H1 107.2(9) . . . no
O1 C4 H1 107.2(9) . . . no
O1 C4 H2 138.0(5) . . . no
O1 C4 H2 138.1(5) . . . no
O1 C4 H4 124.0(12) . . . no
O1 C4 H5 163.4(14) . . . no
O1 C4 H6 122.5(13) . . . no
O1 C4 H6 122.5(13) . . . no
O1 C4 H7 60.6(5) . . . no
O1 C4 H7 60.6(5) . . . no
O1 C4 N1 173.14(13) 1_554 1_554 1_554 ?
O1 C4 N2 127.24(8) 1_554 1_554 1_554 ?
O1 C4 C1 157.65(9) 1_554 1_554 1_554 ?
O1 C4 C2 97.73(9) 1_554 1_554 1_554 ?
O1 C4 C3 67.51(13) 1_554 1_554 1_554 ?
O1 C4 C5 54.25(13) 1_554 1_554 1_554 ?
O1 C4 C6 88.12(8) 1_554 1_554 1_554 ?
O1 C4 C7 142.97(10) 1_554 1_554 1_554 ?
O1 C4 C8 133.63(8) 1_554 1_554 1_554 ?
O1 C4 C8 133.64(8) 1_554 1_554 1_554 ?
O1 C4 H1 123.3(9) 1_554 1_554 1_554 no
O1 C4 H1 68.6(9) 1_554 1_554 1_554 no
O1 C4 H1 68.6(9) 1_554 1_554 1_554 no
O1 C4 H2 42.6(5) 1_554 1_554 1_554 no
O1 C4 H2 42.6(5) 1_554 1_554 1_554 no
O1 C4 H4 43.3(12) 1_554 1_554 1_554 no
O1 C4 H5 29.3(14) 1_554 1_554 1_554 no
O1 C4 H6 69.1(13) 1_554 1_554 1_554 no
O1 C4 H6 69.1(13) 1_554 1_554 1_554 no
O1 C4 H7 127.6(5) 1_554 1_554 1_554 no
O1 C4 H7 127.6(5) 1_554 1_554 1_554 no
N1 C4 N2 59.62(11) . . . ?
N1 C4 C1 29.21(10) . . . ?
N1 C4 C2 89.13(13) . . . ?
N1 C4 C3 119.4(2) . . . ?
N1 C4 C5 118.9(2) . . . ?
N1 C4 C6 98.74(13) . . . ?
N1 C4 C7 30.16(10) . . . ?
N1 C4 C8 40.55(9) . . . ?
N1 C4 C8 40.55(9) . . . ?
N1 C4 H1 63.5(9) . . . no
N1 C4 H1 113.3(9) . . . no
N1 C4 H1 113.3(9) . . . no
N1 C4 H2 135.8(5) . . . no
N1 C4 H2 135.8(5) . . . no
N1 C4 H4 143.5(12) . . . no
N1 C4 H5 143.9(14) . . . no
N1 C4 H6 104.5(13) . . . no
N1 C4 H6 104.5(13) . . . no
N1 C4 H7 48.5(5) . . . no
N1 C4 H7 48.5(5) . . . no
N2 C4 C1 30.41(7) . . . ?
N2 C4 C2 29.51(7) . . . ?
N2 C4 C3 59.74(13) . . . ?
N2 C4 C5 178.5(2) . . . ?
N2 C4 C6 39.12(8) . . . ?
N2 C4 C7 89.78(9) . . . ?
N2 C4 C8 94.59(8) . . . ?
N2 C4 C8 94.58(8) . . . ?
N2 C4 H1 3.9(9) . . . no
N2 C4 H1 90.0(8) . . . no
N2 C4 H1 90.0(8) . . . no
N2 C4 H2 122.6(4) . . . no
N2 C4 H2 122.6(4) . . . no
N2 C4 H4 83.9(12) . . . no
N2 C4 H5 156.5(14) . . . no
N2 C4 H6 155.1(12) . . . no
N2 C4 H6 155.1(12) . . . no
N2 C4 H7 90.7(5) . . . no
N2 C4 H7 90.7(5) . . . no
C1 C4 C2 59.92(9) . . . ?
C1 C4 C3 90.1(1) . . . ?
C1 C4 C5 148.1(2) . . . ?
C1 C4 C6 69.53(9) . . . ?
C1 C4 C7 59.37(8) . . . ?
C1 C4 C8 66.38(8) . . . ?
C1 C4 C8 66.38(8) . . . ?
C1 C4 H1 34.3(9) . . . no
C1 C4 H1 103.4(9) . . . no
C1 C4 H1 103.4(9) . . . no
C1 C4 H2 136.5(5) . . . no
C1 C4 H2 136.5(5) . . . no
C1 C4 H4 114.3(12) . . . no
C1 C4 H5 173.1(14) . . . no
C1 C4 H6 131.3(13) . . . no
C1 C4 H6 131.3(13) . . . no
C1 C4 H7 67.5(5) . . . no
C1 C4 H7 67.5(5) . . . no
C2 C4 C3 30.23(12) . . . ?
C2 C4 C5 152.0(2) . . . ?
C2 C4 C6 9.61(8) . . . ?
C2 C4 C7 119.29(11) . . . ?
C2 C4 C8 121.77(10) . . . ?
C2 C4 C8 121.77(10) . . . ?
C2 C4 H1 25.6(9) . . . no
C2 C4 H1 77.0(7) . . . no
C2 C4 H1 77.0(7) . . . no
C2 C4 H2 102.5(4) . . . no
C2 C4 H2 102.5(4) . . . no
C2 C4 H4 54.4(12) . . . no
C2 C4 H5 127.0(14) . . . no
C2 C4 H6 155.3(10) . . . no
C2 C4 H6 155.3(10) . . . no
C2 C4 H7 113.1(4) . . . no
C2 C4 H7 113.1(4) . . . no
C3 C4 C5 121.8(2) . . . ?
C3 C4 C6 20.62(13) . . . ?
C3 C4 C7 149.5(2) . . . ?
C3 C4 C8 147.30(12) . . . ?
C3 C4 C8 147.30(12) . . . ?
C3 C4 H1 55.8(9) . . . no
C3 C4 H1 66.7(7) . . . no
C3 C4 H1 66.7(7) . . . no
C3 C4 H2 80.0(4) . . . no
C3 C4 H2 80.0(4) . . . no
C3 C4 H4 24.2(12) . . . no
C3 C4 H5 96.8(14) . . . no
C3 C4 H6 131.8(12) . . . no
C3 C4 H6 131.8(12) . . . no
C3 C4 H7 132.5(4) . . . no
C3 C4 H7 132.5(4) . . . no
C5 C4 C6 142.4(2) . . . ?
C5 C4 C7 88.7(2) . . . ?
C5 C4 C8 84.0(1) . . . ?
C5 C4 C8 84.0(1) . . . ?
C5 C4 H1 177.6(9) . . . no
C5 C4 H1 90.7(8) . . . no
C5 C4 H1 90.7(8) . . . no
C5 C4 H2 58.3(4) . . . no
C5 C4 H2 58.3(4) . . . no
C5 C4 H4 97.6(12) . . . no
C5 C4 H5 25.0(14) . . . no
C5 C4 H6 24.1(12) . . . no
C5 C4 H6 24.1(12) . . . no
C5 C4 H7 88.2(5) . . . no
C5 C4 H7 88.2(5) . . . no
C6 C4 C7 128.90(10) . . . ?
C6 C4 C8 130.34(9) . . . ?
C6 C4 C8 130.34(9) . . . ?
C6 C4 H1 35.2(9) . . . no
C6 C4 H1 73.2(7) . . . no
C6 C4 H1 73.2(7) . . . no
C6 C4 H2 95.4(4) . . . no
C6 C4 H2 95.4(4) . . . no
C6 C4 H4 44.8(12) . . . no
C6 C4 H5 117.4(14) . . . no
C6 C4 H6 148.9(11) . . . no
C6 C4 H6 148.9(11) . . . no
C6 C4 H7 119.9(4) . . . no
C6 C4 H7 119.9(4) . . . no
C7 C4 C8 21.98(4) . . . ?
C7 C4 C8 21.98(4) . . . ?
C7 C4 H1 93.7(9) . . . no
C7 C4 H1 117.3(8) . . . no
C7 C4 H1 117.3(8) . . . no
C7 C4 H2 121.1(4) . . . no
C7 C4 H2 121.1(4) . . . no
C7 C4 H4 173.7(12) . . . no
C7 C4 H5 113.7(14) . . . no
C7 C4 H6 76.2(13) . . . no
C7 C4 H6 76.2(13) . . . no
C7 C4 H7 39.2(5) . . . no
C7 C4 H7 39.2(5) . . . no
C8 C4 C8 42.80(8) . . . ?
C8 C4 H1 98.2(8) . . . no
C8 C4 H1 138.6(8) . . . no
C8 C4 H1 95.8(8) . . . no
C8 C4 H2 132.7(4) . . . no
C8 C4 H2 101.0(4) . . . no
C8 C4 H4 158.57(8) . . . no
C8 C4 H5 107.2(13) . . . no
C8 C4 H6 65.0(13) . . . no
C8 C4 H6 80.1(12) . . . no
C8 C4 H7 18.1(4) . . . no
C8 C4 H7 60.7(5) . . . no
C8 C4 H1 98.2(8) 2_755 2_755 2_755 no
C8 C4 H1 95.8(8) 2_755 2_755 2_755 no
C8 C4 H1 138.6(8) 2_755 2_755 2_755 no
C8 C4 H2 101.0(4) 2_755 2_755 2_755 no
C8 C4 H2 132.7(4) 2_755 2_755 2_755 no
C8 C4 H4 158.57(8) 2_755 2_755 2_755 no
C8 C4 H5 107.2(13) 2_755 2_755 2_755 no
C8 C4 H6 80.1(12) 2_755 2_755 2_755 no
C8 C4 H6 65.0(13) 2_755 2_755 2_755 no
C8 C4 H7 60.7(5) 2_755 2_755 2_755 no
C8 C4 H7 18.1(4) 2_755 2_755 2_755 no
H1 C4 H1 88.2(4) . . . no
H1 C4 H1 88.2(4) . . . no
H1 C4 H2 120.2(7) . . . no
H1 C4 H2 120.2(7) . . . no
H1 C4 H4 80.0(16) . . . no
H1 C4 H5 152.6(16) . . . no
H1 C4 H6 157.1(12) . . . no
H1 C4 H6 157.1(12) . . . no
H1 C4 H7 93.7(9) . . . no
H1 C4 H7 93.7(9) . . . no
H1 C4 H1 125.4(15) 3_664 3_664 3_664 no
H1 C4 H2 34.0(10) 3_664 3_664 3_664 no
H1 C4 H2 110.9(10) 3_664 3_664 3_664 no
H1 C4 H4 62.9(8) 3_664 3_664 3_664 no
H1 C4 H5 79.5(10) 3_664 3_664 3_664 no
H1 C4 H6 114.6(15) 3_664 3_664 3_664 no
H1 C4 H6 78.8(12) 3_664 3_664 3_664 no
H1 C4 H7 156.4(9) 3_664 3_664 3_664 no
H1 C4 H7 78.2(9) 3_664 3_664 3_664 no
H1 C4 H2 110.9(10) 3_764 3_764 3_764 no
H1 C4 H2 34.0(10) 3_764 3_764 3_764 no
H1 C4 H4 62.9(8) 3_764 3_764 3_764 no
H1 C4 H5 79.4(10) 3_764 3_764 3_764 no
H1 C4 H6 78.8(12) 3_764 3_764 3_764 no
H1 C4 H6 114.6(15) 3_764 3_764 3_764 no
H1 C4 H7 78.2(9) 3_764 3_764 3_764 no
H1 C4 H7 156.4(9) 3_764 3_764 3_764 no
H2 C4 H2 83.7(10) 4_464 4_464 4_464 no
H2 C4 H4 63.0(9) 4_464 4_464 4_464 no
H2 C4 H5 45.6(7) 4_464 4_464 4_464 no
H2 C4 H6 82.3(12) 4_464 4_464 4_464 no
H2 C4 H6 53.6(11) 4_464 4_464 4_464 no
H2 C4 H7 144.4(6) 4_464 4_464 4_464 no
H2 C4 H7 88.4(7) 4_464 4_464 4_464 no
H2 C4 H4 63.0(9) 3_764 3_764 3_764 no
H2 C4 H5 45.6(7) 3_764 3_764 3_764 no
H2 C4 H6 53.6(11) 3_764 3_764 3_764 no
H2 C4 H6 82.3(12) 3_764 3_764 3_764 no
H2 C4 H7 88.4(7) 3_764 3_764 3_764 no
H2 C4 H7 144.5(6) 3_764 3_764 3_764 no
H4 C4 H5 72.6(19) . . . no
H4 C4 H6 109.7(17) . . . no
H4 C4 H6 109.7(17) . . . no
H4 C4 H7 140.6(5) . . . no
H4 C4 H7 140.6(5) . . . no
H5 C4 H6 42.7(17) . . . no
H5 C4 H6 42.7(17) . . . no
H5 C4 H7 107.3(12) . . . no
H5 C4 H7 107.4(12) . . . no
H6 C4 H6 40.3(19) . . . no
H6 C4 H7 65.4(14) . . . no
H6 C4 H7 91.1(11) . . . no
H6 C4 H7 91.1(11) 2_755 2_755 2_755 no
H6 C4 H7 65.4(14) 2_755 2_755 2_755 no
H7 C4 H7 78.3(9) . . . no
Cl1 C5 Cl1 128.45(8) . . . ?
Cl1 C5 O1 99.62(5) . . . ?
Cl1 C5 N1 65.95(4) . . . ?
Cl1 C5 C1 64.75(4) . . . ?
Cl1 C5 C2 67.02(4) . . . ?
Cl1 C5 C3 69.64(5) . . . ?
Cl1 C5 C4 64.55(4) . . . ?
Cl1 C5 C7 74.20(5) . . . ?
Cl1 C5 C8 59.31(5) . . . ?
Cl1 C5 C8 96.55(8) . . . ?
Cl1 C5 H2 144.2(5) . . . no
Cl1 C5 H2 54.6(6) . . . no
Cl1 C5 H4 76.3(4) . . . no
Cl1 C5 H5 102.8(12) . . . no
Cl1 C5 H6 56.4(22) . . . no
Cl1 C5 H6 146.8(27) . . . no
Cl1 C5 H7 42.6(4) . . . no
Cl1 C5 H7 108.4(5) . . . no
Cl1 C5 H8 128.9(8) . . . no
Cl1 C5 H8 81.7(8) . . . no
Cl1 C5 H9 155.0(7) . . . no
Cl1 C5 H9 46.7(5) . . . no
Cl1 C5 O1 99.63(5) 1_455 1_455 1_455 ?
Cl1 C5 N1 65.94(4) 1_455 1_455 1_455 ?
Cl1 C5 C1 64.75(4) 1_455 1_455 1_455 ?
Cl1 C5 C2 67.01(4) 1_455 1_455 1_455 ?
Cl1 C5 C3 69.64(5) 1_455 1_455 1_455 ?
Cl1 C5 C4 64.54(4) 1_455 1_455 1_455 ?
Cl1 C5 C7 74.19(5) 1_455 1_455 1_455 ?
Cl1 C5 C8 96.54(8) 1_455 1_455 1_455 ?
Cl1 C5 C8 59.30(5) 1_455 1_455 1_455 ?
Cl1 C5 H2 54.6(6) 1_455 1_455 1_455 no
Cl1 C5 H2 144.2(5) 1_455 1_455 1_455 no
Cl1 C5 H4 76.3(4) 1_455 1_455 1_455 no
Cl1 C5 H5 102.8(12) 1_455 1_455 1_455 no
Cl1 C5 H6 146.8(27) 1_455 1_455 1_455 no
Cl1 C5 H6 56.4(22) 1_455 1_455 1_455 no
Cl1 C5 H7 108.4(5) 1_455 1_455 1_455 no
Cl1 C5 H7 42.6(4) 1_455 1_455 1_455 no
Cl1 C5 H8 81.7(8) 1_455 1_455 1_455 no
Cl1 C5 H8 128.9(8) 1_455 1_455 1_455 no
Cl1 C5 H9 46.7(5) 1_455 1_455 1_455 no
Cl1 C5 H9 155.0(7) 1_455 1_455 1_455 no
O1 C5 N1 132.97(11) 1_554 1_554 1_554 ?
O1 C5 C1 123.78(9) 1_554 1_554 1_554 ?
O1 C5 C2 86.52(8) 1_554 1_554 1_554 ?
O1 C5 C3 75.76(9) 1_554 1_554 1_554 ?
O1 C5 C4 103.9(1) 1_554 1_554 1_554 ?
O1 C5 C7 163.82(11) 1_554 1_554 1_554 ?
O1 C5 C8 158.74(5) 1_554 1_554 1_554 ?
O1 C5 C8 158.74(5) 1_554 1_554 1_554 ?
O1 C5 H2 50.5(6) 1_554 1_554 1_554 no
O1 C5 H2 50.5(6) 1_554 1_554 1_554 no
O1 C5 H4 55.6(10) 1_554 1_554 1_554 no
O1 C5 H5 8.1(31) 1_554 1_554 1_554 no
O1 C5 H6 112.3(30) 1_554 1_554 1_554 no
O1 C5 H6 112.3(30) 1_554 1_554 1_554 no
O1 C5 H7 141.9(4) 1_554 1_554 1_554 no
O1 C5 H7 141.9(4) 1_554 1_554 1_554 no
O1 C5 H8 116.4(10) 1_554 1_554 1_554 no
O1 C5 H8 116.4(10) 1_554 1_554 1_554 no
O1 C5 H9 105.4(7) 1_554 1_554 1_554 no
O1 C5 H9 105.4(7) 1_554 1_554 1_554 no
N1 C5 C1 9.19(6) . . . ?
N1 C5 C2 46.45(7) . . . ?
N1 C5 C3 57.21(9) . . . ?
N1 C5 C4 29.09(11) . . . ?
N1 C5 C7 30.85(7) . . . ?
N1 C5 C8 44.55(7) . . . ?
N1 C5 C8 44.55(7) . . . ?
N1 C5 H2 116.8(6) . . . no
N1 C5 H2 116.8(6) . . . no
N1 C5 H4 77.4(10) . . . no
N1 C5 H5 141.1(31) . . . no
N1 C5 H6 96.6(31) . . . no
N1 C5 H6 96.6(31) . . . no
N1 C5 H7 47.1(4) . . . no
N1 C5 H7 47.1(4) . . . no
N1 C5 H8 105.8(10) . . . no
N1 C5 H8 105.8(10) . . . no
N1 C5 H9 95.8(8) . . . no
N1 C5 H9 95.8(8) . . . no
C1 C5 C2 37.26(5) . . . ?
C1 C5 C3 48.02(8) . . . ?
C1 C5 C4 19.90(11) . . . ?
C1 C5 C7 40.04(6) . . . ?
C1 C5 C8 52.69(6) . . . ?
C1 C5 C8 52.69(6) . . . ?
C1 C5 H2 111.9(6) . . . no
C1 C5 H2 111.9(6) . . . no
C1 C5 H4 68.2(10) . . . no
C1 C5 H5 131.9(31) . . . no
C1 C5 H6 102.3(30) . . . no
C1 C5 H6 102.3(30) . . . no
C1 C5 H7 53.1(4) . . . no
C1 C5 H7 53.1(4) . . . no
C1 C5 H8 114.0(10) . . . no
C1 C5 H8 114.0(10) . . . no
C1 C5 H9 100.0(7) . . . no
C1 C5 H9 100.0(7) . . . no
C2 C5 C3 10.75(6) . . . ?
C2 C5 C4 17.37(10) . . . ?
C2 C5 C7 77.30(8) . . . ?
C2 C5 C8 87.19(8) . . . ?
C2 C5 C8 87.19(8) . . . ?
C2 C5 H2 89.1(5) . . . no
C2 C5 H2 89.1(5) . . . no
C2 C5 H4 31.0(10) . . . no
C2 C5 H5 94.7(31) . . . no
C2 C5 H6 122.2(24) . . . no
C2 C5 H6 122.1(24) . . . no
C2 C5 H7 81.5(4) . . . no
C2 C5 H7 81.5(4) . . . no
C2 C5 H8 144.3(9) . . . no
C2 C5 H8 144.3(9) . . . no
C2 C5 H9 113.6(6) . . . no
C2 C5 H9 113.7(6) . . . no
C3 C5 C4 28.12(10) . . . ?
C3 C5 C7 88.06(10) . . . ?
C3 C5 C8 97.28(10) . . . ?
C3 C5 C8 97.28(10) . . . ?
C3 C5 H2 82.3(5) . . . no
C3 C5 H2 82.3(5) . . . no
C3 C5 H4 20.2(10) . . . no
C3 C5 H5 83.9(31) . . . no
C3 C5 H6 126.0(22) . . . no
C3 C5 H6 126.0(22) . . . no
C3 C5 H7 90.2(4) . . . no
C3 C5 H7 90.2(4) . . . no
C3 C5 H8 150.7(8) . . . no
C3 C5 H8 150.7(8) . . . no
C3 C5 H9 116.0(5) . . . no
C3 C5 H9 116.0(5) . . . no
C4 C5 C7 59.94(13) . . . ?
C4 C5 C8 70.95(13) . . . ?
C4 C5 C8 70.95(13) . . . ?
C4 C5 H2 100.1(5) . . . no
C4 C5 H2 100.1(5) . . . no
C4 C5 H4 48.3(10) . . . no
C4 C5 H5 112.0(31) . . . no
C4 C5 H6 113.8(28) . . . no
C4 C5 H6 113.8(28) . . . no
C4 C5 H7 67.7(4) . . . no
C4 C5 H7 67.7(4) . . . no
C4 C5 H8 131.1(9) . . . no
C4 C5 H8 131.1(9) . . . no
C4 C5 H9 108.1(6) . . . no
C4 C5 H9 108.1(6) . . . no
C7 C5 C8 22.40(5) . . . ?
C7 C5 C8 22.40(5) . . . ?
C7 C5 H2 128.1(6) . . . no
C7 C5 H2 128.1(6) . . . no
C7 C5 H4 108.3(10) . . . no
C7 C5 H5 172.0(31) . . . no
C7 C5 H6 77.2(31) . . . no
C7 C5 H6 77.2(31) . . . no
C7 C5 H7 35.8(5) . . . no
C7 C5 H7 35.8(5) . . . no
C7 C5 H8 78.0(10) . . . no
C7 C5 H8 78.0(10) . . . no
C7 C5 H9 81.5(8) . . . no
C7 C5 H9 81.5(8) . . . no
C8 C5 C8 40.58(8) . . . ?
C8 C5 H2 149.6(6) . . . no
C8 C5 H2 109.1(6) . . . no
C8 C5 H4 116.1(9) . . . no
C8 C5 H5 159.6(2) . . . no
C8 C5 H6 55.5(32) . . . no
C8 C5 H6 88.2(29) . . . no
C8 C5 H7 16.8(4) . . . no
C8 C5 H7 56.5(5) . . . no
C8 C5 H8 79.5(9) . . . no
C8 C5 H8 61.4(10) . . . no
C8 C5 H9 95.7(7) . . . no
C8 C5 H9 59.2(8) . . . no
C8 C5 H2 109.1(6) 2_755 2_755 2_755 no
C8 C5 H2 149.6(6) 2_755 2_755 2_755 no
C8 C5 H4 116.1(9) 2_755 2_755 2_755 no
C8 C5 H5 159.6(2) 2_755 2_755 2_755 no
C8 C5 H6 88.2(29) 2_755 2_755 2_755 no
C8 C5 H6 55.5(32) 2_755 2_755 2_755 no
C8 C5 H7 56.5(5) 2_755 2_755 2_755 no
C8 C5 H7 16.8(4) 2_755 2_755 2_755 no
C8 C5 H8 61.4(10) 2_755 2_755 2_755 no
C8 C5 H8 79.5(9) 2_755 2_755 2_755 no
C8 C5 H9 59.2(8) 2_755 2_755 2_755 no
C8 C5 H9 95.8(7) 2_755 2_755 2_755 no
H2 C5 H2 101.0(12) 4_464 4_464 4_464 no
H2 C5 H4 70.1(7) 4_464 4_464 4_464 no
H2 C5 H5 50.8(6) 4_464 4_464 4_464 no
H2 C5 H6 145.6(30) 4_464 4_464 4_464 no
H2 C5 H6 68.5(25) 4_464 4_464 4_464 no
H2 C5 H7 162.9(8) 4_464 4_464 4_464 no
H2 C5 H7 93.1(8) 4_464 4_464 4_464 no
H2 C5 H8 86.2(9) 4_464 4_464 4_464 no
H2 C5 H8 126.5(9) 4_464 4_464 4_464 no
H2 C5 H9 58.5(8) 4_464 4_464 4_464 no
H2 C5 H9 147.3(10) 4_464 4_464 4_464 no
H2 C5 H4 70.1(7) 3_764 3_764 3_764 no
H2 C5 H5 50.8(6) 3_764 3_764 3_764 no
H2 C5 H6 68.5(25) 3_764 3_764 3_764 no
H2 C5 H6 145.6(30) 3_764 3_764 3_764 no
H2 C5 H7 93.1(8) 3_764 3_764 3_764 no
H2 C5 H7 162.9(8) 3_764 3_764 3_764 no
H2 C5 H8 126.5(9) 3_764 3_764 3_764 no
H2 C5 H8 86.2(9) 3_764 3_764 3_764 no
H2 C5 H9 147.3(10) 3_764 3_764 3_764 no
H2 C5 H9 58.5(8) 3_764 3_764 3_764 no
H4 C5 H5 63.7(32) . . . no
H4 C5 H6 129.4(20) . . . no
H4 C5 H6 129.4(20) . . . no
H4 C5 H7 106.5(8) . . . no
H4 C5 H7 106.5(8) . . . no
H4 C5 H8 154.2(8) . . . no
H4 C5 H8 154.2(8) . . . no
H4 C5 H9 117.9(5) . . . no
H4 C5 H9 117.9(5) . . . no
H5 C5 H6 107.6(34) . . . no
H5 C5 H6 107.6(34) . . . no
H5 C5 H7 143.8(6) . . . no
H5 C5 H7 143.8(6) . . . no
H5 C5 H8 109.2(30) . . . no
H5 C5 H8 109.2(30) . . . no
H5 C5 H9 102.0(15) . . . no
H5 C5 H9 102.0(15) . . . no
H6 C5 H6 101.1(40) . . . no
H6 C5 H7 49.5(31) . . . no
H6 C5 H7 104.7(29) . . . no
H6 C5 H8 76.2(21) . . . no
H6 C5 H8 25.8(22) . . . no
H6 C5 H9 112.7(20) . . . no
H6 C5 H9 11.6(21) . . . no
H6 C5 H7 104.6(29) 2_755 2_755 2_755 no
H6 C5 H7 49.5(31) 2_755 2_755 2_755 no
H6 C5 H8 25.8(22) 2_755 2_755 2_755 no
H6 C5 H8 76.2(21) 2_755 2_755 2_755 no
H6 C5 H9 11.6(21) 2_755 2_755 2_755 no
H6 C5 H9 112.7(20) 2_755 2_755 2_755 no
H7 C5 H7 71.5(9) . . . no
H7 C5 H8 93.2(9) . . . no
H7 C5 H8 63.5(10) . . . no
H7 C5 H9 112.5(8) . . . no
H7 C5 H9 49.5(9) . . . no
H7 C5 H8 63.5(10) 2_755 2_755 2_755 no
H7 C5 H8 93.2(9) 2_755 2_755 2_755 no
H7 C5 H9 49.5(9) 2_755 2_755 2_755 no
H7 C5 H9 112.5(8) 2_755 2_755 2_755 no
H8 C5 H8 50.8(14) 4_454 4_454 4_454 no
H8 C5 H9 36.9(9) 4_454 4_454 4_454 no
H8 C5 H9 87.6(8) 4_454 4_454 4_454 no
H8 C5 H9 87.6(8) 3_754 3_754 3_754 no
H8 C5 H9 36.9(9) 3_754 3_754 3_754 no
H9 C5 H9 124.2(10) 3_654 3_654 3_654 no
Cl1 C6 Cl1 167.98(7) 3_764 3_764 3_764 ?
Cl1 C6 O1 82.86(7) 3_764 3_764 3_764 ?
Cl1 C6 O1 82.85(7) 3_764 3_764 3_764 ?
Cl1 C6 N2 137.25(12) 3_764 3_764 3_764 ?
Cl1 C6 C1 129.40(9) 3_764 3_764 3_764 ?
Cl1 C6 C1 65.39(6) 3_764 3_764 3_764 ?
Cl1 C6 C1 65.39(6) 3_764 3_764 3_764 ?
Cl1 C6 C2 107.3(2) 3_764 3_764 3_764 ?
Cl1 C6 C3 80.79(11) 3_764 3_764 3_764 ?
Cl1 C6 C4 91.87(8) 3_764 3_764 3_764 ?
Cl1 C6 C8 56.49(6) 3_764 3_764 3_764 ?
Cl1 C6 C8 56.49(6) 3_764 3_764 3_764 ?
Cl1 C6 H1 163.5(13) 3_764 3_764 3_764 no
Cl1 C6 H2 113.0(22) 3_764 3_764 3_764 no
Cl1 C6 H2 113.0(22) 3_764 3_764 3_764 no
Cl1 C6 H3 4.7(28) 3_764 3_764 3_764 no
Cl1 C6 H4 61.8(9) 3_764 3_764 3_764 no
Cl1 C6 H5 111.3(8) 3_764 3_764 3_764 no
Cl1 C6 H5 111.3(8) 3_764 3_764 3_764 no
Cl1 C6 H7 45.1(5) 3_764 3_764 3_764 no
Cl1 C6 H7 45.1(5) 3_764 3_764 3_764 no
Cl1 C6 O1 97.41(7) 3_765 3_765 3_765 ?
Cl1 C6 O1 97.42(7) 3_765 3_765 3_765 ?
Cl1 C6 N2 54.77(10) 3_765 3_765 3_765 ?
Cl1 C6 C1 62.62(7) 3_765 3_765 3_765 ?
Cl1 C6 C1 115.83(6) 3_765 3_765 3_765 ?
Cl1 C6 C1 115.84(6) 3_765 3_765 3_765 ?
Cl1 C6 C2 84.7(2) 3_765 3_765 3_765 ?
Cl1 C6 C3 111.23(11) 3_765 3_765 3_765 ?
Cl1 C6 C4 100.15(7) 3_765 3_765 3_765 ?
Cl1 C6 C8 114.31(8) 3_765 3_765 3_765 ?
Cl1 C6 C8 114.31(8) 3_765 3_765 3_765 ?
Cl1 C6 H1 28.5(13) 3_765 3_765 3_765 no
Cl1 C6 H2 60.6(22) 3_765 3_765 3_765 no
Cl1 C6 H2 60.5(22) 3_765 3_765 3_765 no
Cl1 C6 H3 163.2(28) 3_765 3_765 3_765 no
Cl1 C6 H4 130.2(9) 3_765 3_765 3_765 no
Cl1 C6 H5 64.9(8) 3_765 3_765 3_765 no
Cl1 C6 H5 64.9(8) 3_765 3_765 3_765 no
Cl1 C6 H7 124.6(5) 3_765 3_765 3_765 no
Cl1 C6 H7 124.7(5) 3_765 3_765 3_765 no
O1 C6 O1 165.1(1) 3_664 3_664 3_664 ?
O1 C6 N2 93.87(6) 3_664 3_664 3_664 ?
O1 C6 C1 92.97(6) 3_664 3_664 3_664 ?
O1 C6 C1 18.58(5) 3_664 3_664 3_664 ?
O1 C6 C1 146.59(13) 3_664 3_664 3_664 ?
O1 C6 C2 90.21(6) 3_664 3_664 3_664 ?
O1 C6 C3 86.88(6) 3_664 3_664 3_664 ?
O1 C6 C4 88.23(6) 3_664 3_664 3_664 ?
O1 C6 C8 52.80(6) 3_664 3_664 3_664 ?
O1 C6 C8 120.69(9) 3_664 3_664 3_664 ?
O1 C6 H1 96.28(11) 3_664 3_664 3_664 no
O1 C6 H2 144.9(17) 3_664 3_664 3_664 no
O1 C6 H2 46.9(18) 3_664 3_664 3_664 no
O1 C6 H3 83.0(1) 3_664 3_664 3_664 no
O1 C6 H4 84.86(11) 3_664 3_664 3_664 no
O1 C6 H5 36.1(8) 3_664 3_664 3_664 no
O1 C6 H5 157.1(7) 3_664 3_664 3_664 no
O1 C6 H7 62.5(5) 3_664 3_664 3_664 no
O1 C6 H7 109.1(5) 3_664 3_664 3_664 no
O1 C6 N2 93.88(6) 3_764 3_764 3_764 ?
O1 C6 C1 92.98(6) 3_764 3_764 3_764 ?
O1 C6 C1 146.58(13) 3_764 3_764 3_764 ?
O1 C6 C1 18.58(5) 3_764 3_764 3_764 ?
O1 C6 C2 90.21(6) 3_764 3_764 3_764 ?
O1 C6 C3 86.87(6) 3_764 3_764 3_764 ?
O1 C6 C4 88.22(6) 3_764 3_764 3_764 ?
O1 C6 C8 120.69(9) 3_764 3_764 3_764 ?
O1 C6 C8 52.79(6) 3_764 3_764 3_764 ?
O1 C6 H1 96.28(11) 3_764 3_764 3_764 no
O1 C6 H2 46.9(18) 3_764 3_764 3_764 no
O1 C6 H2 144.9(17) 3_764 3_764 3_764 no
O1 C6 H3 83.0(1) 3_764 3_764 3_764 no
O1 C6 H4 84.85(11) 3_764 3_764 3_764 no
O1 C6 H5 157.1(7) 3_764 3_764 3_764 no
O1 C6 H5 36.1(8) 3_764 3_764 3_764 no
O1 C6 H7 109.1(5) 3_764 3_764 3_764 no
O1 C6 H7 62.5(5) 3_764 3_764 3_764 no
N2 C6 C1 7.85(7) . . . ?
N2 C6 C1 102.30(6) . . . ?
N2 C6 C1 102.31(6) . . . ?
N2 C6 C2 29.93(13) . . . ?
N2 C6 C3 56.46(9) . . . ?
N2 C6 C4 45.39(7) . . . ?
N2 C6 C8 145.42(5) . . . ?
N2 C6 C8 145.42(5) . . . ?
N2 C6 H1 26.3(13) . . . no
N2 C6 H2 93.9(20) . . . no
N2 C6 H2 93.9(20) . . . no
N2 C6 H3 142.0(28) . . . no
N2 C6 H4 75.5(9) . . . no
N2 C6 H5 87.4(8) . . . no
N2 C6 H5 87.4(8) . . . no
N2 C6 H7 156.4(5) . . . no
N2 C6 H7 156.4(5) . . . no
C1 C6 C1 99.13(4) . . . ?
C1 C6 C1 99.14(4) . . . ?
C1 C6 C2 22.1(1) . . . ?
C1 C6 C3 48.61(8) . . . ?
C1 C6 C4 37.53(5) . . . ?
C1 C6 C8 145.71(4) . . . ?
C1 C6 C8 145.71(4) . . . ?
C1 C6 H1 34.1(13) . . . no
C1 C6 H2 99.0(19) . . . no
C1 C6 H2 99.0(19) . . . no
C1 C6 H3 134.1(28) . . . no
C1 C6 H4 67.6(9) . . . no
C1 C6 H5 91.3(8) . . . no
C1 C6 H5 91.3(8) . . . no
C1 C6 H7 154.3(5) . . . no
C1 C6 H7 154.3(5) . . . no
C1 C6 C1 128.01(12) 3_664 3_664 3_664 ?
C1 C6 C2 89.63(9) 3_664 3_664 3_664 ?
C1 C6 C3 78.38(7) 3_664 3_664 3_664 ?
C1 C6 C4 82.94(6) 3_664 3_664 3_664 ?
C1 C6 C8 49.37(5) 3_664 3_664 3_664 ?
C1 C6 C8 111.08(9) 3_664 3_664 3_664 ?
C1 C6 H1 111.1(4) 3_664 3_664 3_664 no
C1 C6 H2 156.2(16) 3_664 3_664 3_664 no
C1 C6 H2 63.5(20) 3_664 3_664 3_664 no
C1 C6 H3 66.2(5) 3_664 3_664 3_664 no
C1 C6 H4 71.5(3) 3_664 3_664 3_664 no
C1 C6 H5 54.0(8) 3_664 3_664 3_664 no
C1 C6 H5 168.5(7) 3_664 3_664 3_664 no
C1 C6 H7 55.1(5) 3_664 3_664 3_664 no
C1 C6 H7 98.3(5) 3_664 3_664 3_664 no
C1 C6 C2 89.63(9) 3_764 3_764 3_764 ?
C1 C6 C3 78.37(7) 3_764 3_764 3_764 ?
C1 C6 C4 82.94(6) 3_764 3_764 3_764 ?
C1 C6 C8 111.07(9) 3_764 3_764 3_764 ?
C1 C6 C8 49.37(5) 3_764 3_764 3_764 ?
C1 C6 H1 111.1(4) 3_764 3_764 3_764 no
C1 C6 H2 63.5(20) 3_764 3_764 3_764 no
C1 C6 H2 156.2(16) 3_764 3_764 3_764 no
C1 C6 H3 66.2(5) 3_764 3_764 3_764 no
C1 C6 H4 71.5(3) 3_764 3_764 3_764 no
C1 C6 H5 168.5(7) 3_764 3_764 3_764 no
C1 C6 H5 54.0(8) 3_764 3_764 3_764 no
C1 C6 H7 98.3(5) 3_764 3_764 3_764 no
C1 C6 H7 55.1(5) 3_764 3_764 3_764 no
C2 C6 C3 26.53(13) . . . ?
C2 C6 C4 15.5(1) . . . ?
C2 C6 C8 138.78(12) . . . ?
C2 C6 C8 138.78(12) . . . ?
C2 C6 H1 56.2(13) . . . no
C2 C6 H2 112.5(17) . . . no
C2 C6 H2 112.5(17) . . . no
C2 C6 H3 112.1(28) . . . no
C2 C6 H4 45.5(9) . . . no
C2 C6 H5 101.8(7) . . . no
C2 C6 H5 101.8(7) . . . no
C2 C6 H7 140.3(5) . . . no
C2 C6 H7 140.3(5) . . . no
C3 C6 C4 11.08(7) . . . ?
C3 C6 C8 121.29(11) . . . ?
C3 C6 C8 121.29(11) . . . ?
C3 C6 H1 82.7(13) . . . no
C3 C6 H2 125.4(15) . . . no
C3 C6 H2 125.4(15) . . . no
C3 C6 H3 85.5(28) . . . no
C3 C6 H4 19.0(8) . . . no
C3 C6 H5 112.4(7) . . . no
C3 C6 H5 112.4(7) . . . no
C3 C6 H7 117.7(5) . . . no
C3 C6 H7 117.7(5) . . . no
C4 C6 C8 129.30(8) . . . ?
C4 C6 C8 129.30(8) . . . ?
C4 C6 H1 71.7(13) . . . no
C4 C6 H2 120.7(16) . . . no
C4 C6 H2 120.7(16) . . . no
C4 C6 H3 96.6(28) . . . no
C4 C6 H4 30.1(9) . . . no
C4 C6 H5 108.4(7) . . . no
C4 C6 H5 108.4(7) . . . no
C4 C6 H7 127.5(5) . . . no
C4 C6 H7 127.5(5) . . . no
C8 C6 C8 68.43(8) 4_464 4_464 4_464 ?
C8 C6 H1 134.7(8) 4_464 4_464 4_464 no
C8 C6 H2 108.6(17) 4_464 4_464 4_464 no
C8 C6 H2 57.9(21) 4_464 4_464 4_464 no
C8 C6 H3 53.1(20) 4_464 4_464 4_464 no
C8 C6 H4 106.4(7) 4_464 4_464 4_464 no
C8 C6 H5 60.6(8) 4_464 4_464 4_464 no
C8 C6 H5 119.3(7) 4_464 4_464 4_464 no
C8 C6 H7 13.0(5) 4_464 4_464 4_464 no
C8 C6 H7 58.2(5) 4_464 4_464 4_464 no
C8 C6 H1 134.7(8) 3_764 3_764 3_764 no
C8 C6 H2 57.9(21) 3_764 3_764 3_764 no
C8 C6 H2 108.6(17) 3_764 3_764 3_764 no
C8 C6 H3 53.1(20) 3_764 3_764 3_764 no
C8 C6 H4 106.4(7) 3_764 3_764 3_764 no
C8 C6 H5 119.3(7) 3_764 3_764 3_764 no
C8 C6 H5 60.6(8) 3_764 3_764 3_764 no
C8 C6 H7 58.2(5) 3_764 3_764 3_764 no
C8 C6 H7 13.0(5) 3_764 3_764 3_764 no
H1 C6 H2 76.9(23) . . . no
H1 C6 H2 76.9(23) . . . no
H1 C6 H3 168.3(33) . . . no
H1 C6 H4 101.7(17) . . . no
H1 C6 H5 75.2(10) . . . no
H1 C6 H5 75.2(10) . . . no
H1 C6 H7 147.5(11) . . . no
H1 C6 H7 147.5(11) . . . no
H2 C6 H2 98.4(35) . . . no
H2 C6 H3 110.3(26) . . . no
H2 C6 H4 130.2(17) . . . no
H2 C6 H5 110.3(20) . . . no
H2 C6 H5 13.1(17) . . . no
H2 C6 H7 105.7(19) . . . no
H2 C6 H7 70.6(22) . . . no
H2 C6 H3 110.3(26) 2_755 2_755 2_755 no
H2 C6 H4 130.2(17) 2_755 2_755 2_755 no
H2 C6 H5 13.1(17) 2_755 2_755 2_755 no
H2 C6 H5 110.3(20) 2_755 2_755 2_755 no
H2 C6 H7 70.6(22) 2_755 2_755 2_755 no
H2 C6 H7 105.7(19) 2_755 2_755 2_755 no
H3 C6 H4 66.5(28) . . . no
H3 C6 H5 109.6(14) . . . no
H3 C6 H5 109.6(14) . . . no
H3 C6 H7 41.2(23) . . . no
H3 C6 H7 41.2(23) . . . no
H4 C6 H5 117.4(7) . . . no
H4 C6 H5 117.4(7) . . . no
H4 C6 H7 100.5(10) . . . no
H4 C6 H7 100.5(10) . . . no
H5 C6 H5 121.4(15) 3_665 3_665 3_665 no
H5 C6 H7 73.6(10) 3_665 3_665 3_665 no
H5 C6 H7 114.3(9) 3_665 3_665 3_665 no
H5 C6 H7 114.3(9) 3_765 3_765 3_765 no
H5 C6 H7 73.6(10) 3_765 3_765 3_765 no
H7 C6 H7 46.9(10) 4_464 4_464 4_464 no
O1 C7 N1 58.44(12) . . . ?
O1 C7 N2 38.37(6) . . . ?
O1 C7 C1 26.84(8) . . . ?
O1 C7 C3 75.40(7) . . . ?
O1 C7 C4 86.31(9) . . . ?
O1 C7 C5 117.64(9) . . . ?
O1 C7 C8 103.2(2) . . . ?
O1 C7 C8 103.2(2) . . . ?
O1 C7 C9 115.38(13) . . . ?
O1 C7 C9 115.38(13) . . . ?
O1 C7 C10 120.4(2) . . . ?
O1 C7 H2 45.1(4) . . . no
O1 C7 H2 45.1(4) . . . no
O1 C7 H5 115.7(7) . . . no
O1 C7 H5 37.1(7) . . . no
O1 C7 H6 127.6(6) . . . no
O1 C7 H6 127.6(6) . . . no
O1 C7 H7 91.6(7) . . . no
O1 C7 H7 91.6(7) . . . no
O1 C7 H8 112.0(9) . . . no
O1 C7 H8 156.9(6) . . . no
O1 C7 H8 156.9(6) . . . no
O1 C7 H8 112.0(9) . . . no
O1 C7 H9 123.4(8) . . . no
N1 C7 N2 20.07(10) . . . ?
N1 C7 C1 31.60(11) . . . ?
N1 C7 C3 16.96(11) . . . ?
N1 C7 C4 27.86(10) . . . ?
N1 C7 C5 59.20(13) . . . ?
N1 C7 C8 118.79(11) . . . ?
N1 C7 C8 118.79(11) . . . ?
N1 C7 C9 150.12(8) . . . ?
N1 C7 C9 150.12(8) . . . ?
N1 C7 C10 178.8(2) . . . ?
N1 C7 H2 81.5(4) . . . no
N1 C7 H2 81.5(4) . . . no
N1 C7 H5 57.2(7) . . . no
N1 C7 H5 95.6(7) . . . no
N1 C7 H6 71.3(6) . . . no
N1 C7 H6 71.3(6) . . . no
N1 C7 H7 93.8(6) . . . no
N1 C7 H7 93.8(6) . . . no
N1 C7 H8 141.8(7) . . . no
N1 C7 H8 110.7(7) . . . no
N1 C7 H8 110.7(7) . . . no
N1 C7 H8 141.8(7) . . . no
N1 C7 H9 178.1(8) . . . no
N2 C7 C1 11.53(7) . . . ?
N2 C7 C3 37.03(6) . . . ?
N2 C7 C4 47.93(7) . . . ?
N2 C7 C5 79.27(7) . . . ?
N2 C7 C8 116.28(12) . . . ?
N2 C7 C8 116.28(12) . . . ?
N2 C7 C9 143.54(11) . . . ?
N2 C7 C9 143.54(11) . . . ?
N2 C7 C10 158.7(2) . . . ?
N2 C7 H2 67.0(4) . . . no
N2 C7 H2 67.0(4) . . . no
N2 C7 H5 77.3(7) . . . no
N2 C7 H5 75.5(7) . . . no
N2 C7 H6 90.7(6) . . . no
N2 C7 H6 90.7(6) . . . no
N2 C7 H7 93.4(6) . . . no
N2 C7 H7 93.4(6) . . . no
N2 C7 H8 136.3(8) . . . no
N2 C7 H8 128.9(7) . . . no
N2 C7 H8 128.9(7) . . . no
N2 C7 H8 136.3(8) . . . no
N2 C7 H9 161.8(8) . . . no
C1 C7 C3 48.56(8) . . . ?
C1 C7 C4 59.46(9) . . . ?
C1 C7 C5 90.80(10) . . . ?
C1 C7 C8 113.30(13) . . . ?
C1 C7 C8 113.30(13) . . . ?
C1 C7 C9 136.31(13) . . . ?
C1 C7 C9 136.30(13) . . . ?
C1 C7 C10 147.2(2) . . . ?
C1 C7 H2 59.2(4) . . . no
C1 C7 H2 59.2(4) . . . no
C1 C7 H5 88.8(7) . . . no
C1 C7 H5 64.0(7) . . . no
C1 C7 H6 101.9(6) . . . no
C1 C7 H6 101.9(6) . . . no
C1 C7 H7 93.0(6) . . . no
C1 C7 H7 93.0(6) . . . no
C1 C7 H8 130.3(8) . . . no
C1 C7 H8 138.9(7) . . . no
C1 C7 H8 138.9(7) . . . no
C1 C7 H8 130.3(8) . . . no
C1 C7 H9 150.3(8) . . . no
C3 C7 C4 10.90(6) . . . ?
C3 C7 C5 42.24(7) . . . ?
C3 C7 C8 117.95(12) . . . ?
C3 C7 C8 117.96(12) . . . ?
C3 C7 C9 146.92(9) . . . ?
C3 C7 C9 146.92(9) . . . ?
C3 C7 C10 164.2(2) . . . ?
C3 C7 H2 94.3(4) . . . no
C3 C7 H2 94.3(4) . . . no
C3 C7 H5 40.3(7) . . . no
C3 C7 H5 112.5(7) . . . no
C3 C7 H6 55.0(6) . . . no
C3 C7 H6 55.0(6) . . . no
C3 C7 H7 93.8(7) . . . no
C3 C7 H7 93.8(7) . . . no
C3 C7 H8 139.8(8) . . . no
C3 C7 H8 95.0(7) . . . no
C3 C7 H8 95.0(7) . . . no
C3 C7 H8 139.8(8) . . . no
C3 C7 H9 161.2(8) . . . no
C4 C7 C5 31.34(7) . . . ?
C4 C7 C8 116.02(13) . . . ?
C4 C7 C8 116.03(13) . . . ?
C4 C7 C9 141.29(12) . . . ?
C4 C7 C9 141.29(12) . . . ?
C4 C7 C10 153.3(2) . . . ?
C4 C7 H2 102.4(5) . . . no
C4 C7 H2 102.4(5) . . . no
C4 C7 H5 29.4(7) . . . no
C4 C7 H5 123.4(7) . . . no
C4 C7 H6 44.7(6) . . . no
C4 C7 H6 44.7(6) . . . no
C4 C7 H7 93.6(8) . . . no
C4 C7 H7 93.6(8) . . . no
C4 C7 H8 135.6(9) . . . no
C4 C7 H8 84.8(8) . . . no
C4 C7 H8 84.8(8) . . . no
C4 C7 H8 135.7(9) . . . no
C4 C7 H9 150.3(8) . . . no
C5 C7 C8 105.7(2) . . . ?
C5 C7 C8 105.7(2) . . . ?
C5 C7 C9 117.99(13) . . . ?
C5 C7 C9 117.99(13) . . . ?
C5 C7 C10 122.0(2) . . . ?
C5 C7 H2 123.9(5) . . . no
C5 C7 H2 123.9(5) . . . no
C5 C7 H5 2.0(7) . . . no
C5 C7 H5 154.8(7) . . . no
C5 C7 H6 18.4(7) . . . no
C5 C7 H6 18.4(7) . . . no
C5 C7 H7 92.4(9) . . . no
C5 C7 H7 92.4(9) . . . no
C5 C7 H8 116.1(10) . . . no
C5 C7 H8 56.0(8) . . . no
C5 C7 H8 56.0(8) . . . no
C5 C7 H8 116.1(10) . . . no
C5 C7 H9 119.0(8) . . . no
C8 C7 C8 122.3(2) . . . ?
C8 C7 C9 31.35(12) . . . ?
C8 C7 C9 91.0(2) . . . ?
C8 C7 C10 61.18(11) . . . ?
C8 C7 H2 128.9(6) . . . no
C8 C7 H2 58.2(5) . . . no
C8 C7 H5 106.5(3) . . . no
C8 C7 H5 85.7(4) . . . no
C8 C7 H6 87.8(7) . . . no
C8 C7 H6 113.5(7) . . . no
C8 C7 H7 25.0(6) . . . no
C8 C7 H7 147.3(7) . . . no
C8 C7 H8 23.1(8) . . . no
C8 C7 H8 99.9(6) . . . no
C8 C7 H8 62.3(7) . . . no
C8 C7 H8 99.3(7) . . . no
C8 C7 H9 61.29(11) . . . no
C8 C7 C9 91.0(2) 2_755 2_755 2_755 ?
C8 C7 C9 31.35(12) 2_755 2_755 2_755 ?
C8 C7 C10 61.18(11) 2_755 2_755 2_755 ?
C8 C7 H2 58.2(5) 2_755 2_755 2_755 no
C8 C7 H2 128.9(6) 2_755 2_755 2_755 no
C8 C7 H5 106.5(3) 2_755 2_755 2_755 no
C8 C7 H5 85.7(4) 2_755 2_755 2_755 no
C8 C7 H6 113.5(7) 2_755 2_755 2_755 no
C8 C7 H6 87.8(7) 2_755 2_755 2_755 no
C8 C7 H7 147.3(7) 2_755 2_755 2_755 no
C8 C7 H7 25.0(6) 2_755 2_755 2_755 no
C8 C7 H8 99.3(7) 2_755 2_755 2_755 no
C8 C7 H8 62.3(7) 2_755 2_755 2_755 no
C8 C7 H8 99.9(6) 2_755 2_755 2_755 no
C8 C7 H8 23.1(8) 2_755 2_755 2_755 no
C8 C7 H9 61.29(11) 2_755 2_755 2_755 no
C9 C7 C9 59.6(2) . . . ?
C9 C7 C10 29.83(8) . . . ?
C9 C7 H2 115.7(5) . . . no
C9 C7 H2 77.2(4) . . . no
C9 C7 H5 119.6(6) . . . no
C9 C7 H5 83.5(6) . . . no
C9 C7 H6 100.4(7) . . . no
C9 C7 H6 115.4(6) . . . no
C9 C7 H7 56.3(6) . . . no
C9 C7 H7 116.0(6) . . . no
C9 C7 H8 8.3(7) . . . no
C9 C7 H8 84.2(7) . . . no
C9 C7 H8 62.5(8) . . . no
C9 C7 H8 67.9(8) . . . no
C9 C7 H9 30.04(12) . . . no
C9 C7 C10 29.83(8) 2_755 2_755 2_755 ?
C9 C7 H2 77.2(4) 2_755 2_755 2_755 no
C9 C7 H2 115.7(5) 2_755 2_755 2_755 no
C9 C7 H5 119.6(6) 2_755 2_755 2_755 no
C9 C7 H5 83.5(6) 2_755 2_755 2_755 no
C9 C7 H6 115.4(6) 2_755 2_755 2_755 no
C9 C7 H6 100.4(7) 2_755 2_755 2_755 no
C9 C7 H7 116.0(6) 2_755 2_755 2_755 no
C9 C7 H7 56.3(6) 2_755 2_755 2_755 no
C9 C7 H8 67.9(8) 2_755 2_755 2_755 no
C9 C7 H8 62.5(8) 2_755 2_755 2_755 no
C9 C7 H8 84.2(7) 2_755 2_755 2_755 no
C9 C7 H8 8.3(7) 2_755 2_755 2_755 no
C9 C7 H9 30.04(12) 2_755 2_755 2_755 no
C10 C7 H2 97.6(4) . . . no
C10 C7 H2 97.6(4) . . . no
C10 C7 H5 124.0(8) . . . no
C10 C7 H5 83.2(7) . . . no
C10 C7 H6 109.9(6) . . . no
C10 C7 H6 109.9(6) . . . no
C10 C7 H7 86.2(6) . . . no
C10 C7 H7 86.2(6) . . . no
C10 C7 H8 38.1(7) . . . no
C10 C7 H8 70.4(7) . . . no
C10 C7 H8 70.4(7) . . . no
C10 C7 H8 38.1(7) . . . no
C10 C7 H9 3.1(8) . . . no
H2 C7 H2 82.4(11) 4_465 4_465 4_465 no
H2 C7 H5 122.7(7) 4_465 4_465 4_465 no
H2 C7 H5 43.9(6) 4_465 4_465 4_465 no
H2 C7 H6 142.3(10) 4_465 4_465 4_465 no
H2 C7 H6 117.6(8) 4_465 4_465 4_465 no
H2 C7 H7 131.3(10) 4_465 4_465 4_465 no
H2 C7 H7 49.2(10) 4_465 4_465 4_465 no
H2 C7 H8 119.3(10) 4_465 4_465 4_465 no
H2 C7 H8 116.7(9) 4_465 4_465 4_465 no
H2 C7 H8 158.0(7) 4_465 4_465 4_465 no
H2 C7 H8 71.2(9) 4_465 4_465 4_465 no
H2 C7 H9 99.8(7) 4_465 4_465 4_465 no
H2 C7 H5 122.7(7) 3_765 3_765 3_765 no
H2 C7 H5 43.9(6) 3_765 3_765 3_765 no
H2 C7 H6 117.6(8) 3_765 3_765 3_765 no
H2 C7 H6 142.3(10) 3_765 3_765 3_765 no
H2 C7 H7 49.2(10) 3_765 3_765 3_765 no
H2 C7 H7 131.3(10) 3_765 3_765 3_765 no
H2 C7 H8 71.2(9) 3_765 3_765 3_765 no
H2 C7 H8 158.0(7) 3_765 3_765 3_765 no
H2 C7 H8 116.7(9) 3_765 3_765 3_765 no
H2 C7 H8 119.3(10) 3_765 3_765 3_765 no
H2 C7 H9 99.8(7) 3_765 3_765 3_765 no
H5 C7 H5 152.8(14) . . . no
H5 C7 H6 19.6(7) . . . no
H5 C7 H6 19.6(7) . . . no
H5 C7 H7 92.5(9) . . . no
H5 C7 H7 92.5(9) . . . no
H5 C7 H8 117.5(11) . . . no
H5 C7 H8 57.8(10) . . . no
H5 C7 H8 57.8(10) . . . no
H5 C7 H8 117.5(11) . . . no
H5 C7 H9 120.9(11) . . . no
H5 C7 H6 160.1(9) 1_556 1_556 1_556 no
H5 C7 H6 160.1(9) 1_556 1_556 1_556 no
H5 C7 H7 89.1(9) 1_556 1_556 1_556 no
H5 C7 H7 89.1(9) 1_556 1_556 1_556 no
H5 C7 H8 83.1(12) 1_556 1_556 1_556 no
H5 C7 H8 145.4(10) 1_556 1_556 1_556 no
H5 C7 H8 145.4(10) 1_556 1_556 1_556 no
H5 C7 H8 83.1(12) 1_556 1_556 1_556 no
H5 C7 H9 86.3(11) 1_556 1_556 1_556 no
H6 C7 H6 28.9(15) . . . no
H6 C7 H7 77.3(12) . . . no
H6 C7 H7 106.2(12) . . . no
H6 C7 H8 97.9(11) . . . no
H6 C7 H8 54.3(10) . . . no
H6 C7 H8 40.1(9) . . . no
H6 C7 H8 116.5(12) . . . no
H6 C7 H9 106.9(10) . . . no
H6 C7 H7 106.2(12) 2_755 2_755 2_755 no
H6 C7 H7 77.3(12) 2_755 2_755 2_755 no
H6 C7 H8 116.5(12) 2_755 2_755 2_755 no
H6 C7 H8 40.1(9) 2_755 2_755 2_755 no
H6 C7 H8 54.3(10) 2_755 2_755 2_755 no
H6 C7 H8 97.9(11) 2_755 2_755 2_755 no
H6 C7 H9 106.9(10) 2_755 2_755 2_755 no
H7 C7 H7 172.3(13) . . . no
H7 C7 H8 48.1(10) . . . no
H7 C7 H8 110.3(9) . . . no
H7 C7 H8 67.7(11) . . . no
H7 C7 H8 124.3(10) . . . no
H7 C7 H9 86.2(6) . . . no
H7 C7 H8 124.3(10) 2_755 2_755 2_755 no
H7 C7 H8 67.8(11) 2_755 2_755 2_755 no
H7 C7 H8 110.3(9) 2_755 2_755 2_755 no
H7 C7 H8 48.1(10) 2_755 2_755 2_755 no
H7 C7 H9 86.2(6) 2_755 2_755 2_755 no
H8 C7 H8 89.1(5) . . . no
H8 C7 H8 62.3(5) . . . no
H8 C7 H8 76.2(15) . . . no
H8 C7 H9 38.4(7) . . . no
H8 C7 H8 42.6(13) 4_454 4_454 4_454 no
H8 C7 H8 62.3(5) 4_454 4_454 4_454 no
H8 C7 H9 67.6(11) 4_454 4_454 4_454 no
H8 C7 H8 89.1(5) 3_754 3_754 3_754 no
H8 C7 H9 67.6(11) 3_754 3_754 3_754 no
H8 C7 H9 38.4(7) 2_755 2_755 2_755 no
Cl1 C8 O1 86.09(5) . . . ?
Cl1 C8 N1 69.41(5) . . . ?
Cl1 C8 C1 72.33(5) . . . ?
Cl1 C8 C4 59.16(4) . . . ?
Cl1 C8 C5 64.58(5) . . . ?
Cl1 C8 C6 58.49(7) . . . ?
Cl1 C8 C7 99.68(12) . . . ?
Cl1 C8 C8 127.68(4) . . . ?
Cl1 C8 C9 139.8(2) . . . ?
Cl1 C8 C9 78.29(7) . . . ?
Cl1 C8 C9 155.21(11) . . . ?
Cl1 C8 C10 162.7(2) . . . ?
Cl1 C8 C10 62.63(6) . . . ?
Cl1 C8 H2 72.4(6) . . . no
Cl1 C8 H3 44.6(14) . . . no
Cl1 C8 H5 112.2(6) . . . no
Cl1 C8 H6 60.1(6) . . . no
Cl1 C8 H6 79.1(6) . . . no
Cl1 C8 H7 24.8(18) . . . no
Cl1 C8 H7 119.1(5) . . . no
Cl1 C8 H7 44.3(4) . . . no
Cl1 C8 H8 117.6(12) . . . no
Cl1 C8 H8 82.1(7) . . . no
Cl1 C8 H8 155.9(8) . . . no
Cl1 C8 H9 155.1(6) . . . no
Cl1 C8 H9 49.5(6) . . . no
O1 C8 N1 44.19(7) . . . ?
O1 C8 C1 21.50(6) . . . ?
O1 C8 C4 64.69(6) . . . ?
O1 C8 C5 88.78(7) . . . ?
O1 C8 C6 56.13(5) . . . ?
O1 C8 C7 52.81(13) . . . ?
O1 C8 C8 68.54(5) . . . ?
O1 C8 C9 127.4(2) . . . ?
O1 C8 C9 153.63(9) . . . ?
O1 C8 C9 89.66(9) . . . ?
O1 C8 C10 110.9(1) . . . ?
O1 C8 C10 147.64(9) . . . ?
O1 C8 H2 49.4(5) . . . no
O1 C8 H3 62.3(7) . . . no
O1 C8 H5 36.0(7) . . . no
O1 C8 H6 101.4(6) . . . no
O1 C8 H6 91.5(6) . . . no
O1 C8 H7 90.9(13) . . . no
O1 C8 H7 62.9(4) . . . no
O1 C8 H7 105.8(4) . . . no
O1 C8 H8 133.4(16) . . . no
O1 C8 H8 145.1(8) . . . no
O1 C8 H8 89.1(7) . . . no
O1 C8 H9 118.8(7) . . . no
O1 C8 H9 134.5(6) . . . no
N1 C8 C1 23.98(6) . . . ?
N1 C8 C4 21.18(6) . . . ?
N1 C8 C5 44.59(8) . . . ?
N1 C8 C6 82.85(8) . . . ?
N1 C8 C7 31.58(9) . . . ?
N1 C8 C8 60.38(6) . . . ?
N1 C8 C9 149.4(2) . . . ?
N1 C8 C9 109.77(11) . . . ?
N1 C8 C9 90.72(9) . . . ?
N1 C8 C10 120.45(10) . . . ?
N1 C8 C10 111.41(12) . . . ?
N1 C8 H2 84.5(5) . . . no
N1 C8 H3 79.3(7) . . . no
N1 C8 H5 78.4(7) . . . no
N1 C8 H6 57.4(6) . . . no
N1 C8 H6 49.1(5) . . . no
N1 C8 H7 89.7(14) . . . no
N1 C8 H7 51.4(4) . . . no
N1 C8 H7 111.1(4) . . . no
N1 C8 H8 173.0(12) . . . no
N1 C8 H8 101.0(8) . . . no
N1 C8 H8 90.9(7) . . . no
N1 C8 H9 128.6(3) . . . no
N1 C8 H9 101.6(6) . . . no
C1 C8 C4 43.50(6) . . . ?
C1 C8 C5 68.12(7) . . . ?
C1 C8 C6 63.31(5) . . . ?
C1 C8 C7 43.58(10) . . . ?
C1 C8 C8 68.01(4) . . . ?
C1 C8 C9 146.1(2) . . . ?
C1 C8 C9 132.16(10) . . . ?
C1 C8 C9 95.69(9) . . . ?
C1 C8 C10 122.86(11) . . . ?
C1 C8 C10 128.64(11) . . . ?
C1 C8 H2 62.0(5) . . . no
C1 C8 H3 63.9(6) . . . no
C1 C8 H5 57.4(7) . . . no
C1 C8 H6 80.2(6) . . . no
C1 C8 H6 73.0(5) . . . no
C1 C8 H7 84.8(13) . . . no
C1 C8 H7 60.1(4) . . . no
C1 C8 H7 104.3(3) . . . no
C1 C8 H8 154.7(16) . . . no
C1 C8 H8 124.6(8) . . . no
C1 C8 H8 95.4(7) . . . no
C1 C8 H9 131.7(4) . . . no
C1 C8 H9 116.4(6) . . . no
C4 C8 C5 25.02(6) . . . ?
C4 C8 C6 92.31(7) . . . ?
C4 C8 C7 42.00(11) . . . ?
C4 C8 C8 68.60(4) . . . ?
C4 C8 C9 149.3(2) . . . ?
C4 C8 C9 88.99(9) . . . ?
C4 C8 C9 97.06(9) . . . ?
C4 C8 C10 124.41(11) . . . ?
C4 C8 C10 90.49(10) . . . ?
C4 C8 H2 98.2(5) . . . no
C4 C8 H3 84.4(11) . . . no
C4 C8 H5 99.6(7) . . . no
C4 C8 H6 36.7(6) . . . no
C4 C8 H6 33.9(5) . . . no
C4 C8 H7 83.1(16) . . . no
C4 C8 H7 60.3(5) . . . no
C4 C8 H7 103.4(4) . . . no
C4 C8 H8 161.8(16) . . . no
C4 C8 H8 81.1(8) . . . no
C4 C8 H8 97.5(7) . . . no
C4 C8 H9 130.2(6) . . . no
C4 C8 H9 81.5(6) . . . no
C5 C8 C6 112.83(8) . . . ?
C5 C8 C7 51.9(1) . . . ?
C5 C8 C8 69.71(4) . . . ?
C5 C8 C9 128.2(2) . . . ?
C5 C8 C9 65.38(7) . . . ?
C5 C8 C9 90.95(10) . . . ?
C5 C8 C10 111.1(1) . . . ?
C5 C8 C10 71.08(9) . . . ?
C5 C8 H2 121.4(5) . . . no
C5 C8 H3 102.0(13) . . . no
C5 C8 H5 121.7(6) . . . no
C5 C8 H6 14.0(6) . . . no
C5 C8 H6 14.6(5) . . . no
C5 C8 H7 89.0(18) . . . no
C5 C8 H7 63.8(6) . . . no
C5 C8 H7 104.4(5) . . . no
C5 C8 H8 137.0(15) . . . no
C5 C8 H8 56.5(8) . . . no
C5 C8 H8 91.7(8) . . . no
C5 C8 H9 113.8(8) . . . no
C5 C8 H9 65.6(6) . . . no
C6 C8 C7 106.4(1) 3_765 3_765 3_765 ?
C6 C8 C8 124.22(4) 3_765 3_765 3_765 ?
C6 C8 C9 118.0(2) 3_765 3_765 3_765 ?
C6 C8 C9 127.66(8) 3_765 3_765 3_765 ?
C6 C8 C9 135.85(13) 3_765 3_765 3_765 ?
C6 C8 C10 133.4(2) 3_765 3_765 3_765 ?
C6 C8 C10 107.95(7) 3_765 3_765 3_765 ?
C6 C8 H2 14.3(6) 3_765 3_765 3_765 no
C6 C8 H3 13.9(14) 3_765 3_765 3_765 no
C6 C8 H5 59.6(4) 3_765 3_765 3_765 no
C6 C8 H6 115.1(6) 3_765 3_765 3_765 no
C6 C8 H6 125.6(5) 3_765 3_765 3_765 no
C6 C8 H7 44.6(17) 3_765 3_765 3_765 no
C6 C8 H7 119.1(4) 3_765 3_765 3_765 no
C6 C8 H7 51.5(5) 3_765 3_765 3_765 no
C6 C8 H8 100.7(13) 3_765 3_765 3_765 no
C6 C8 H8 136.5(7) 3_765 3_765 3_765 no
C6 C8 H8 135.0(8) 3_765 3_765 3_765 no
C6 C8 H9 132.9(8) 3_765 3_765 3_765 no
C6 C8 H9 98.5(5) 3_765 3_765 3_765 no
C7 C8 C8 28.84(11) . . . ?
C7 C8 C9 117.8(2) . . . ?
C7 C8 C9 108.8(2) . . . ?
C7 C8 C9 59.17(12) . . . ?
C7 C8 C10 88.88(13) . . . ?
C7 C8 C10 121.2(2) . . . ?
C7 C8 H2 102.1(5) . . . no
C7 C8 H3 107.2(6) . . . no
C7 C8 H5 73.9(5) . . . no
C7 C8 H6 65.5(6) . . . no
C7 C8 H6 45.8(7) . . . no
C7 C8 H7 121.2(14) . . . no
C7 C8 H7 19.9(4) . . . no
C7 C8 H7 142.7(4) . . . no
C7 C8 H8 141.7(12) . . . no
C7 C8 H8 97.0(8) . . . no
C7 C8 H8 59.3(7) . . . no
C7 C8 H9 97.0(3) . . . no
C7 C8 H9 117.5(6) . . . no
C8 C8 C9 89.0(2) 2_755 2_755 2_755 ?
C8 C8 C9 104.75(6) 2_755 2_755 2_755 ?
C8 C8 C9 30.33(6) 2_755 2_755 2_755 ?
C8 C8 C10 60.07(6) 2_755 2_755 2_755 ?
C8 C8 C10 123.35(5) 2_755 2_755 2_755 ?
C8 C8 H2 114.3(6) 2_755 2_755 2_755 no
C8 C8 H3 130.3(6) 2_755 2_755 2_755 no
C8 C8 H5 72.2(3) 2_755 2_755 2_755 no
C8 C8 H6 80.4(6) 2_755 2_755 2_755 no
C8 C8 H6 57.8(6) 2_755 2_755 2_755 no
C8 C8 H7 150.0(14) 2_755 2_755 2_755 no
C8 C8 H7 8.9(4) 2_755 2_755 2_755 no
C8 C8 H7 171.5(4) 2_755 2_755 2_755 no
C8 C8 H8 112.8(12) 2_755 2_755 2_755 no
C8 C8 H8 93.3(7) 2_755 2_755 2_755 no
C8 C8 H8 30.5(7) 2_755 2_755 2_755 no
C8 C8 H9 68.3(2) 2_755 2_755 2_755 no
C8 C8 H9 127.3(5) 2_755 2_755 2_755 no
C9 C8 C9 76.4(2) . . . ?
C9 C8 C9 58.7(2) . . . ?
C9 C8 C10 28.9(1) . . . ?
C9 C8 C10 84.6(2) . . . ?
C9 C8 H2 110.4(6) . . . no
C9 C8 H3 126.2(10) . . . no
C9 C8 H5 92.7(8) . . . no
C9 C8 H6 121.7(6) . . . no
C9 C8 H6 116.3(5) . . . no
C9 C8 H7 121.0(14) . . . no
C9 C8 H7 97.9(4) . . . no
C9 C8 H7 99.5(4) . . . no
C9 C8 H8 23.9(11) . . . no
C9 C8 H8 79.5(8) . . . no
C9 C8 H8 58.5(7) . . . no
C9 C8 H9 21.1(4) . . . no
C9 C8 H9 97.3(6) . . . no
C9 C8 C9 95.66(9) 3_754 3_754 3_754 ?
C9 C8 C10 84.7(2) 3_754 3_754 3_754 ?
C9 C8 C10 19.72(5) 3_754 3_754 3_754 ?
C9 C8 H2 140.3(6) 3_754 3_754 3_754 no
C9 C8 H3 116.0(11) 3_754 3_754 3_754 no
C9 C8 H5 168.8(7) 3_754 3_754 3_754 no
C9 C8 H6 52.3(6) 3_754 3_754 3_754 no
C9 C8 H6 64.9(6) 3_754 3_754 3_754 no
C9 C8 H7 83.8(16) 3_754 3_754 3_754 no
C9 C8 H7 106.7(5) 3_754 3_754 3_754 no
C9 C8 H7 77.4(5) 3_754 3_754 3_754 no
C9 C8 H8 73.0(15) 3_754 3_754 3_754 no
C9 C8 H8 12.0(7) 3_754 3_754 3_754 no
C9 C8 H8 96.5(8) 3_754 3_754 3_754 no
C9 C8 H9 78.8(8) 3_754 3_754 3_754 no
C9 C8 H9 30.3(5) 3_754 3_754 3_754 no
C9 C8 C10 29.74(6) 2_755 2_755 2_755 ?
C9 C8 C10 114.97(11) 2_755 2_755 2_755 ?
C9 C8 H2 121.8(6) 2_755 2_755 2_755 no
C9 C8 H3 148.4(12) 2_755 2_755 2_755 no
C9 C8 H5 76.3(4) 2_755 2_755 2_755 no
C9 C8 H6 97.0(6) 2_755 2_755 2_755 no
C9 C8 H6 76.6(6) 2_755 2_755 2_755 no
C9 C8 H7 179.4(14) 2_755 2_755 2_755 no
C9 C8 H7 39.3(4) 2_755 2_755 2_755 no
C9 C8 H7 158.2(4) 2_755 2_755 2_755 no
C9 C8 H8 82.5(12) 2_755 2_755 2_755 no
C9 C8 H8 87.6(7) 2_755 2_755 2_755 no
C9 C8 H8 0.9(9) 2_755 2_755 2_755 no
C9 C8 H9 38.1(2) 2_755 2_755 2_755 no
C9 C8 H9 125.5(5) 2_755 2_755 2_755 no
C10 C8 C10 100.07(11) . . . ?
C10 C8 H2 120.7(6) . . . no
C10 C8 H3 146.2(14) . . . no
C10 C8 H5 84.5(6) . . . no
C10 C8 H6 111.4(6) . . . no
C10 C8 H6 96.8(5) . . . no
C10 C8 H7 149.9(14) . . . no
C10 C8 H7 69.0(4) . . . no
C10 C8 H7 128.4(4) . . . no
C10 C8 H8 52.8(12) . . . no
C10 C8 H8 81.9(8) . . . no
C10 C8 H8 29.6(7) . . . no
C10 C8 H9 8.8(4) . . . no
C10 C8 H9 113.2(6) . . . no
C10 C8 H2 120.7(6) 3_754 3_754 3_754 no
C10 C8 H3 96.6(11) 3_754 3_754 3_754 no
C10 C8 H5 164.1(3) 3_754 3_754 3_754 no
C10 C8 H6 57.1(6) 3_754 3_754 3_754 no
C10 C8 H6 75.4(6) 3_754 3_754 3_754 no
C10 C8 H7 64.5(16) 3_754 3_754 3_754 no
C10 C8 H7 123.9(6) 3_754 3_754 3_754 no
C10 C8 H7 58.0(5) 3_754 3_754 3_754 no
C10 C8 H8 73.5(15) 3_754 3_754 3_754 no
C10 C8 H8 30.2(7) 3_754 3_754 3_754 no
C10 C8 H8 115.8(8) 3_754 3_754 3_754 no
C10 C8 H9 92.8(7) 3_754 3_754 3_754 no
C10 C8 H9 13.2(6) 3_754 3_754 3_754 no
H2 C8 H3 28.1(15) 3_765 3_765 3_765 no
H2 C8 H5 45.9(7) 3_765 3_765 3_765 no
H2 C8 H6 126.4(8) 3_765 3_765 3_765 no
H2 C8 H6 132.0(7) 3_765 3_765 3_765 no
H2 C8 H7 58.7(19) 3_765 3_765 3_765 no
H2 C8 H7 110.8(7) 3_765 3_765 3_765 no
H2 C8 H7 62.9(8) 3_765 3_765 3_765 no
H2 C8 H8 97.4(15) 3_765 3_765 3_765 no
H2 C8 H8 150.2(10) 3_765 3_765 3_765 no
H2 C8 H8 120.9(10) 3_765 3_765 3_765 no
H2 C8 H9 121.7(11) 3_765 3_765 3_765 no
H2 C8 H9 112.1(8) 3_765 3_765 3_765 no
H3 C8 H5 72.4(13) 3_765 3_765 3_765 no
H3 C8 H6 102.4(15) 3_765 3_765 3_765 no
H3 C8 H6 115.9(13) 3_765 3_765 3_765 no
H3 C8 H7 32.2(22) 3_765 3_765 3_765 no
H3 C8 H7 123.4(7) 3_765 3_765 3_765 no
H3 C8 H7 43.5(8) 3_765 3_765 3_765 no
H3 C8 H8 105.5(15) 3_765 3_765 3_765 no
H3 C8 H8 123.6(14) 3_765 3_765 3_765 no
H3 C8 H8 147.5(14) 3_765 3_765 3_765 no
H3 C8 H9 144.1(16) 3_765 3_765 3_765 no
H3 C8 H9 86.0(12) 3_765 3_765 3_765 no
H5 C8 H6 135.5(9) 1_556 1_556 1_556 no
H5 C8 H6 119.5(8) 1_556 1_556 1_556 no
H5 C8 H7 104.2(17) 1_556 1_556 1_556 no
H5 C8 H7 72.1(7) 1_556 1_556 1_556 no
H5 C8 H7 107.3(6) 1_556 1_556 1_556 no
H5 C8 H8 98.0(18) 1_556 1_556 1_556 no
H5 C8 H8 163.8(8) 1_556 1_556 1_556 no
H5 C8 H8 75.4(9) 1_556 1_556 1_556 no
H5 C8 H9 90.1(11) 1_556 1_556 1_556 no
H5 C8 H9 158.0(6) 1_556 1_556 1_556 no
H6 C8 H6 22.6(11) . . . no
H6 C8 H7 82.8(20) . . . no
H6 C8 H7 75.6(9) . . . no
H6 C8 H7 94.9(9) . . . no
H6 C8 H8 125.2(17) . . . no
H6 C8 H8 44.7(10) . . . no
H6 C8 H8 97.9(11) . . . no
H6 C8 H9 111.7(10) . . . no
H6 C8 H9 52.0(9) . . . no
H6 C8 H7 103.3(20) 2_755 2_755 2_755 no
H6 C8 H7 53.2(9) 2_755 2_755 2_755 no
H6 C8 H7 117.3(8) 2_755 2_755 2_755 no
H6 C8 H8 130.2(16) 2_755 2_755 2_755 no
H6 C8 H8 54.0(10) 2_755 2_755 2_755 no
H6 C8 H8 77.4(10) 2_755 2_755 2_755 no
H6 C8 H9 100.0(9) 2_755 2_755 2_755 no
H6 C8 H9 73.0(8) 2_755 2_755 2_755 no
H7 C8 H7 141.1(18) . . . no
H7 C8 H7 21.5(12) . . . no
H7 C8 H8 97.1(19) . . . no
H7 C8 H8 91.9(19) . . . no
H7 C8 H8 179.3(20) . . . no
H7 C8 H9 141.5(14) . . . no
H7 C8 H9 53.9(17) . . . no
H7 C8 H7 162.6(8) 2_755 2_755 2_755 no
H7 C8 H8 121.8(13) 2_755 2_755 2_755 no
H7 C8 H8 94.8(8) 2_755 2_755 2_755 no
H7 C8 H8 39.4(8) 2_755 2_755 2_755 no
H7 C8 H9 77.3(5) 2_755 2_755 2_755 no
H7 C8 H9 125.3(8) 2_755 2_755 2_755 no
H7 C8 H8 75.6(12) 2_855 2_855 2_855 no
H7 C8 H8 88.1(9) 2_855 2_855 2_855 no
H7 C8 H8 158.0(8) 2_855 2_855 2_855 no
H7 C8 H9 120.1(4) 2_855 2_855 2_855 no
H7 C8 H9 51.8(7) 2_855 2_855 2_855 no
H8 C8 H8 80.7(11) . . . no
H8 C8 H8 82.4(17) . . . no
H8 C8 H9 44.9(12) . . . no
H8 C8 H9 84.0(16) . . . no
H8 C8 H8 88.5(8) 3_754 3_754 3_754 no
H8 C8 H9 77.5(12) 3_754 3_754 3_754 no
H8 C8 H9 38.1(9) 3_754 3_754 3_754 no
H8 C8 H9 38.1(7) 2_755 2_755 2_755 no
H8 C8 H9 126.4(9) 2_755 2_755 2_755 no
H9 C8 H9 106.1(7) . . . no
N1 C9 C7 11.29(4) . . . ?
N1 C9 C8 19.57(12) . . . ?
N1 C9 C8 41.10(5) . . . ?
N1 C9 C9 88.98(7) . . . ?
N1 C9 C9 71.44(5) . . . ?
N1 C9 C9 126.55(11) . . . ?
N1 C9 C10 102.0(2) . . . ?
N1 C9 H6 40.9(5) . . . no
N1 C9 H6 162.8(8) . . . no
N1 C9 H7 44.4(8) . . . no
N1 C9 H7 41.2(4) . . . no
N1 C9 H8 139.3(26) . . . no
N1 C9 H8 79.3(8) . . . no
N1 C9 H8 80.2(8) . . . no
N1 C9 H8 116.6(7) . . . no
N1 C9 H8 116.2(8) . . . no
N1 C9 H9 125.3(7) . . . no
C7 C9 C8 30.84(12) . . . ?
C7 C9 C8 29.84(6) . . . ?
C7 C9 C9 91.54(11) . . . ?
C7 C9 C9 60.18(8) . . . ?
C7 C9 C9 127.6(2) . . . ?
C7 C9 C10 90.7(2) . . . ?
C7 C9 H6 43.6(5) . . . no
C7 C9 H6 165.7(9) . . . no
C7 C9 H7 55.7(8) . . . no
C7 C9 H7 29.9(4) . . . no
C7 C9 H8 150.6(26) . . . no
C7 C9 H8 80.3(8) . . . no
C7 C9 H8 69.0(8) . . . no
C7 C9 H8 115.6(7) . . . no
C7 C9 H8 127.5(8) . . . no
C7 C9 H9 114.0(7) . . . no
C8 C9 C8 60.7(2) . . . ?
C8 C9 C9 83.4(2) . . . ?
C8 C9 C9 91.0(2) . . . ?
C8 C9 C9 122.4(2) . . . ?
C8 C9 C10 121.6(2) . . . ?
C8 C9 H6 40.9(5) . . . no
C8 C9 H6 147.1(7) . . . no
C8 C9 H7 24.9(8) . . . no
C8 C9 H7 60.8(4) . . . no
C8 C9 H8 119.8(26) . . . no
C8 C9 H8 77.2(8) . . . no
C8 C9 H8 99.8(8) . . . no
C8 C9 H8 117.0(7) . . . no
C8 C9 H8 96.7(8) . . . no
C8 C9 H9 144.6(8) . . . no
C8 C9 C9 100.02(12) 2_755 2_755 2_755 ?
C8 C9 C9 30.34(6) 2_755 2_755 2_755 ?
C8 C9 C9 120.21(13) 2_755 2_755 2_755 ?
C8 C9 C10 60.9(2) 2_755 2_755 2_755 ?
C8 C9 H6 60.8(5) 2_755 2_755 2_755 no
C8 C9 H6 146.9(6) 2_755 2_755 2_755 no
C8 C9 H7 85.5(8) 2_755 2_755 2_755 no
C8 C9 H7 0.2(4) 2_755 2_755 2_755 no
C8 C9 H8 176.3(33) 2_755 2_755 2_755 no
C8 C9 H8 86.8(8) 2_755 2_755 2_755 no
C8 C9 H8 39.1(8) 2_755 2_755 2_755 no
C8 C9 H8 106.2(7) 2_755 2_755 2_755 no
C8 C9 H8 157.3(7) 2_755 2_755 2_755 no
C8 C9 H9 84.5(6) 2_755 2_755 2_755 no
C9 C9 C9 105.46(9) 3_754 3_754 3_754 ?
C9 C9 C9 138.83(13) 3_754 3_754 3_754 ?
C9 C9 C10 105.4(3) 3_754 3_754 3_754 ?
C9 C9 H6 48.3(5) 3_754 3_754 3_754 no
C9 C9 H6 75.0(9) 3_754 3_754 3_754 no
C9 C9 H7 77.3(9) 3_754 3_754 3_754 no
C9 C9 H7 99.9(5) 3_754 3_754 3_754 no
C9 C9 H8 83.6(33) 3_754 3_754 3_754 no
C9 C9 H8 13.2(7) 3_754 3_754 3_754 no
C9 C9 H8 107.4(10) 3_754 3_754 3_754 no
C9 C9 H8 152.4(7) 3_754 3_754 3_754 no
C9 C9 H8 76.5(9) 3_754 3_754 3_754 no
C9 C9 H9 97.9(14) 3_754 3_754 3_754 no
C9 C9 C9 105.45(9) 2_755 2_755 2_755 ?
C9 C9 C10 30.58(13) 2_755 2_755 2_755 ?
C9 C9 H6 83.0(5) 2_755 2_755 2_755 no
C9 C9 H6 118.3(6) 2_755 2_755 2_755 no
C9 C9 H7 115.9(8) 2_755 2_755 2_755 no
C9 C9 H7 30.2(4) 2_755 2_755 2_755 no
C9 C9 H8 148.9(27) 2_755 2_755 2_755 no
C9 C9 H8 93.7(7) 2_755 2_755 2_755 no
C9 C9 H8 8.8(8) 2_755 2_755 2_755 no
C9 C9 H8 93.3(6) 2_755 2_755 2_755 no
C9 C9 H8 172.3(8) 2_755 2_755 2_755 no
C9 C9 H9 54.3(6) 2_755 2_755 2_755 no
C9 C9 C10 88.3(3) 3_755 3_755 3_755 ?
C9 C9 H6 162.5(5) 3_755 3_755 3_755 no
C9 C9 H6 66.7(9) 3_755 3_755 3_755 no
C9 C9 H7 111.9(9) 3_755 3_755 3_755 no
C9 C9 H7 120.3(5) 3_755 3_755 3_755 no
C9 C9 H8 56.2(33) 3_755 3_755 3_755 no
C9 C9 H8 151.4(8) 3_755 3_755 3_755 no
C9 C9 H8 99.5(10) 3_755 3_755 3_755 no
C9 C9 H8 14.0(7) 3_755 3_755 3_755 no
C9 C9 H8 69.5(9) 3_755 3_755 3_755 no
C9 C9 H9 79.0(14) 3_755 3_755 3_755 no
C10 C9 H6 105.5(5) . . . no
C10 C9 H6 88.4(6) . . . no
C10 C9 H7 146.4(8) . . . no
C10 C9 H7 60.8(4) . . . no
C10 C9 H8 118.6(26) . . . no
C10 C9 H8 98.5(8) . . . no
C10 C9 H8 21.9(8) . . . no
C10 C9 H8 80.6(7) . . . no
C10 C9 H8 141.8(7) . . . no
C10 C9 H9 24.0(6) . . . no
H6 C9 H6 123.3(12) . . . no
H6 C9 H7 50.9(10) . . . no
H6 C9 H7 60.7(7) . . . no
H6 C9 H8 122.3(32) . . . no
H6 C9 H8 38.5(9) . . . no
H6 C9 H8 90.4(11) . . . no
H6 C9 H8 157.1(8) . . . no
H6 C9 H8 103.5(10) . . . no
H6 C9 H9 117.8(13) . . . no
H6 C9 H7 123.7(9) 3_755 3_755 3_755 no
H6 C9 H7 146.7(7) 3_755 3_755 3_755 no
H6 C9 H8 34.4(27) 3_755 3_755 3_755 no
H6 C9 H8 85.7(11) 3_755 3_755 3_755 no
H6 C9 H8 110.1(9) 3_755 3_755 3_755 no
H6 C9 H8 78.3(12) 3_755 3_755 3_755 no
H6 C9 H8 54.6(10) 3_755 3_755 3_755 no
H6 C9 H9 64.4(8) 3_755 3_755 3_755 no
H7 C9 H7 85.6(11) . . . no
H7 C9 H8 95.0(28) . . . no
H7 C9 H8 76.7(11) . . . no
H7 C9 H8 124.6(11) . . . no
H7 C9 H8 112.8(11) . . . no
H7 C9 H8 71.8(11) . . . no
H7 C9 H9 168.0(14) . . . no
H7 C9 H8 176.4(33) 2_755 2_755 2_755 no
H7 C9 H8 86.7(9) 2_755 2_755 2_755 no
H7 C9 H8 39.0(9) 2_755 2_755 2_755 no
H7 C9 H8 106.3(9) 2_755 2_755 2_755 no
H7 C9 H8 157.4(8) 2_755 2_755 2_755 no
H7 C9 H9 84.3(7) 2_755 2_755 2_755 no
H8 C9 H8 96.8(32) . . . no
H8 C9 H8 140.1(35) . . . no
H8 C9 H8 70.2(34) . . . no
H8 C9 H8 23.3(21) . . . no
H8 C9 H9 95.4(26) . . . no
H8 C9 H8 96.7(13) 3_754 3_754 3_754 no
H8 C9 H8 164.0(14) 3_754 3_754 3_754 no
H8 C9 H8 88.9(11) 3_754 3_754 3_754 no
H8 C9 H9 96.1(17) 3_754 3_754 3_754 no
H8 C9 H8 88.3(12) 2_755 2_755 2_755 no
H8 C9 H8 163.4(16) 2_755 2_755 2_755 no
H8 C9 H9 45.9(10) 2_755 2_755 2_755 no
H8 C9 H8 82.4(10) 3_755 3_755 3_755 no
H8 C9 H9 76.5(16) 3_755 3_755 3_755 no
H8 C9 H9 118.2(10) 2_855 2_855 2_855 no
Cl1 C10 C7 177.4(2) 3_755 3_755 3_755 ?
Cl1 C10 C8 150.01(6) 3_755 3_755 3_755 ?
Cl1 C10 C8 53.69(5) 3_755 3_755 3_755 ?
Cl1 C10 C8 150.01(6) 3_755 3_755 3_755 ?
Cl1 C10 C8 53.69(5) 3_755 3_755 3_755 ?
Cl1 C10 C9 120.58(13) 3_755 3_755 3_755 ?
Cl1 C10 C9 120.58(13) 3_755 3_755 3_755 ?
Cl1 C10 H6 53.3(6) 3_755 3_755 3_755 no
Cl1 C10 H6 53.3(6) 3_755 3_755 3_755 no
Cl1 C10 H7 141.0(5) 3_755 3_755 3_755 no
Cl1 C10 H7 41.0(4) 3_755 3_755 3_755 no
Cl1 C10 H7 141.0(5) 3_755 3_755 3_755 no
Cl1 C10 H7 40.9(4) 3_755 3_755 3_755 no
Cl1 C10 H8 96.0(13) 3_755 3_755 3_755 no
Cl1 C10 H8 109.4(7) 3_755 3_755 3_755 no
Cl1 C10 H8 76.5(7) 3_755 3_755 3_755 no
Cl1 C10 H8 109.4(7) 3_755 3_755 3_755 no
Cl1 C10 H8 96.0(13) 3_755 3_755 3_755 no
Cl1 C10 H8 76.5(7) 3_755 3_755 3_755 no
Cl1 C10 H9 9.3(31) 3_755 3_755 3_755 no
C7 C10 C8 29.93(6) . . . ?
C7 C10 C8 128.22(13) . . . ?
C7 C10 C8 29.93(6) . . . ?
C7 C10 C8 128.22(13) . . . ?
C7 C10 C9 59.44(13) . . . ?
C7 C10 C9 59.44(13) . . . ?
C7 C10 H6 126.0(6) . . . no
C7 C10 H6 126.0(6) . . . no
C7 C10 H7 38.9(5) . . . no
C7 C10 H7 141.3(4) . . . no
C7 C10 H7 38.9(5) . . . no
C7 C10 H7 141.3(4) . . . no
C7 C10 H8 84.1(13) . . . no
C7 C10 H8 68.2(7) . . . no
C7 C10 H8 106.0(7) . . . no
C7 C10 H8 68.2(7) . . . no
C7 C10 H8 84.1(13) . . . no
C7 C10 H8 106.0(7) . . . no
C7 C10 H9 168.1(32) . . . no
C8 C10 C8 143.6(2) . . . ?
C8 C10 C8 59.86(12) . . . ?
C8 C10 C8 104.85(10) . . . ?
C8 C10 C9 29.51(12) . . . ?
C8 C10 C9 89.4(2) . . . ?
C8 C10 H6 154.3(7) . . . no
C8 C10 H6 97.0(5) . . . no
C8 C10 H7 9.0(5) . . . no
C8 C10 H7 147.8(5) . . . no
C8 C10 H7 68.8(5) . . . no
C8 C10 H7 119.7(4) . . . no
C8 C10 H8 54.2(13) . . . no
C8 C10 H8 82.3(7) . . . no
C8 C10 H8 114.0(7) . . . no
C8 C10 H8 60.5(7) . . . no
C8 C10 H8 114.0(13) . . . no
C8 C10 H8 93.0(7) . . . no
C8 C10 H9 148.2(10) . . . no
C8 C10 C8 104.85(10) 4_455 4_455 4_455 ?
C8 C10 C8 66.68(10) 4_455 4_455 4_455 ?
C8 C10 C9 141.0(3) 4_455 4_455 4_455 ?
C8 C10 C9 80.2(2) 4_455 4_455 4_455 ?
C8 C10 H6 47.6(8) 4_455 4_455 4_455 no
C8 C10 H6 100.6(7) 4_455 4_455 4_455 no
C8 C10 H7 145.5(6) 4_455 4_455 4_455 no
C8 C10 H7 14.9(4) 4_455 4_455 4_455 no
C8 C10 H7 97.7(6) 4_455 4_455 4_455 no
C8 C10 H7 54.6(5) 4_455 4_455 4_455 no
C8 C10 H8 125.8(16) 4_455 4_455 4_455 no
C8 C10 H8 120.9(7) 4_455 4_455 4_455 no
C8 C10 H8 29.8(7) 4_455 4_455 4_455 no
C8 C10 H8 155.2(7) 4_455 4_455 4_455 no
C8 C10 H8 59.5(15) 4_455 4_455 4_455 no
C8 C10 H8 61.6(6) 4_455 4_455 4_455 no
C8 C10 H9 60.7(24) 4_455 4_455 4_455 no
C8 C10 C8 143.6(2) 2_755 2_755 2_755 ?
C8 C10 C9 89.4(2) 2_755 2_755 2_755 ?
C8 C10 C9 29.51(12) 2_755 2_755 2_755 ?
C8 C10 H6 97.0(5) 2_755 2_755 2_755 no
C8 C10 H6 154.3(7) 2_755 2_755 2_755 no
C8 C10 H7 68.8(5) 2_755 2_755 2_755 no
C8 C10 H7 119.7(4) 2_755 2_755 2_755 no
C8 C10 H7 9.0(5) 2_755 2_755 2_755 no
C8 C10 H7 147.8(5) 2_755 2_755 2_755 no
C8 C10 H8 114.0(13) 2_755 2_755 2_755 no
C8 C10 H8 60.5(7) 2_755 2_755 2_755 no
C8 C10 H8 93.0(7) 2_755 2_755 2_755 no
C8 C10 H8 82.3(7) 2_755 2_755 2_755 no
C8 C10 H8 54.2(13) 2_755 2_755 2_755 no
C8 C10 H8 114.0(7) 2_755 2_755 2_755 no
C8 C10 H9 148.2(10) 2_755 2_755 2_755 no
C8 C10 C9 80.2(2) 3_755 3_755 3_755 ?
C8 C10 C9 141.0(3) 3_755 3_755 3_755 ?
C8 C10 H6 100.6(7) 3_755 3_755 3_755 no
C8 C10 H6 47.6(8) 3_755 3_755 3_755 no
C8 C10 H7 97.7(6) 3_755 3_755 3_755 no
C8 C10 H7 54.6(5) 3_755 3_755 3_755 no
C8 C10 H7 145.5(6) 3_755 3_755 3_755 no
C8 C10 H7 14.9(4) 3_755 3_755 3_755 no
C8 C10 H8 59.5(15) 3_755 3_755 3_755 no
C8 C10 H8 155.2(7) 3_755 3_755 3_755 no
C8 C10 H8 61.6(6) 3_755 3_755 3_755 no
C8 C10 H8 120.9(7) 3_755 3_755 3_755 no
C8 C10 H8 125.8(16) 3_755 3_755 3_755 no
C8 C10 H8 29.8(7) 3_755 3_755 3_755 no
C8 C10 H9 60.7(24) 3_755 3_755 3_755 no
C9 C10 C9 118.8(3) . . . ?
C9 C10 H6 167.2(7) . . . no
C9 C10 H6 68.4(5) . . . no
C9 C10 H7 20.5(5) . . . no
C9 C10 H7 133.6(6) . . . no
C9 C10 H7 98.3(5) . . . no
C9 C10 H7 94.8(5) . . . no
C9 C10 H8 24.7(13) . . . no
C9 C10 H8 97.8(7) . . . no
C9 C10 H8 115.4(8) . . . no
C9 C10 H8 61.3(7) . . . no
C9 C10 H8 143.3(13) . . . no
C9 C10 H8 79.4(7) . . . no
C9 C10 H9 120.1(3) . . . no
C9 C10 H6 68.4(5) 2_755 2_755 2_755 no
C9 C10 H6 167.2(7) 2_755 2_755 2_755 no
C9 C10 H7 98.3(5) 2_755 2_755 2_755 no
C9 C10 H7 94.8(5) 2_755 2_755 2_755 no
C9 C10 H7 20.5(5) 2_755 2_755 2_755 no
C9 C10 H7 133.6(6) 2_755 2_755 2_755 no
C9 C10 H8 143.3(13) 2_755 2_755 2_755 no
C9 C10 H8 61.3(7) 2_755 2_755 2_755 no
C9 C10 H8 79.4(7) 2_755 2_755 2_755 no
C9 C10 H8 97.8(7) 2_755 2_755 2_755 no
C9 C10 H8 24.7(13) 2_755 2_755 2_755 no
C9 C10 H8 115.4(8) 2_755 2_755 2_755 no
C9 C10 H9 120.1(3) 2_755 2_755 2_755 no
H6 C10 H6 102.6(10) 4_455 4_455 4_455 no
H6 C10 H7 161.6(10) 4_455 4_455 4_455 no
H6 C10 H7 51.4(9) 4_455 4_455 4_455 no
H6 C10 H7 88.2(6) 4_455 4_455 4_455 no
H6 C10 H7 85.7(8) 4_455 4_455 4_455 no
H6 C10 H8 147.7(14) 4_455 4_455 4_455 no
H6 C10 H8 76.0(10) 4_455 4_455 4_455 no
H6 C10 H8 75.5(11) 4_455 4_455 4_455 no
H6 C10 H8 108.5(10) 4_455 4_455 4_455 no
H6 C10 H8 45.1(14) 4_455 4_455 4_455 no
H6 C10 H8 107.8(11) 4_455 4_455 4_455 no
H6 C10 H9 51.8(7) 4_455 4_455 4_455 no
H6 C10 H7 88.2(6) 3_755 3_755 3_755 no
H6 C10 H7 85.7(8) 3_755 3_755 3_755 no
H6 C10 H7 161.6(10) 3_755 3_755 3_755 no
H6 C10 H7 51.4(9) 3_755 3_755 3_755 no
H6 C10 H8 45.1(14) 3_755 3_755 3_755 no
H6 C10 H8 108.5(10) 3_755 3_755 3_755 no
H6 C10 H8 107.8(11) 3_755 3_755 3_755 no
H6 C10 H8 76.0(10) 3_755 3_755 3_755 no
H6 C10 H8 147.7(14) 3_755 3_755 3_755 no
H6 C10 H8 75.5(11) 3_755 3_755 3_755 no
H6 C10 H9 51.8(7) 3_755 3_755 3_755 no
H7 C10 H7 145.7(11) . . . no
H7 C10 H7 77.8(9) . . . no
H7 C10 H7 112.5(5) . . . no
H7 C10 H8 45.2(14) . . . no
H7 C10 H8 86.5(9) . . . no
H7 C10 H8 115.7(9) . . . no
H7 C10 H8 59.3(9) . . . no
H7 C10 H8 122.9(14) . . . no
H7 C10 H8 89.2(9) . . . no
H7 C10 H9 139.7(9) . . . no
H7 C10 H7 112.5(5) 4_455 4_455 4_455 no
H7 C10 H7 41.3(9) 4_455 4_455 4_455 no
H7 C10 H8 114.1(16) 4_455 4_455 4_455 no
H7 C10 H8 127.4(9) 4_455 4_455 4_455 no
H7 C10 H8 36.7(8) 4_455 4_455 4_455 no
H7 C10 H8 149.2(8) 4_455 4_455 4_455 no
H7 C10 H8 73.0(16) 4_455 4_455 4_455 no
H7 C10 H8 56.6(8) 4_455 4_455 4_455 no
H7 C10 H9 49.0(28) 4_455 4_455 4_455 no
H7 C10 H7 145.7(11) 2_755 2_755 2_755 no
H7 C10 H8 122.9(14) 2_755 2_755 2_755 no
H7 C10 H8 59.3(9) 2_755 2_755 2_755 no
H7 C10 H8 89.2(9) 2_755 2_755 2_755 no
H7 C10 H8 86.5(9) 2_755 2_755 2_755 no
H7 C10 H8 45.2(14) 2_755 2_755 2_755 no
H7 C10 H8 115.7(9) 2_755 2_755 2_755 no
H7 C10 H9 139.7(9) 2_755 2_755 2_755 no
H7 C10 H8 73.0(16) 3_755 3_755 3_755 no
H7 C10 H8 149.2(8) 3_755 3_755 3_755 no
H7 C10 H8 56.6(8) 3_755 3_755 3_755 no
H7 C10 H8 127.3(9) 3_755 3_755 3_755 no
H7 C10 H8 114.1(16) 3_755 3_755 3_755 no
H7 C10 H8 36.7(8) 3_755 3_755 3_755 no
H7 C10 H9 49.0(28) 3_755 3_755 3_755 no
H8 C10 H8 110.8(20) . . . no
H8 C10 H8 110.1(20) . . . no
H8 C10 H8 69.1(14) . . . no
H8 C10 H8 167.1(26) . . . no
H8 C10 H8 68.6(14) . . . no
H8 C10 H9 96.3(13) . . . no
H8 C10 H8 137.7(11) 4_454 4_454 4_454 no
H8 C10 H8 42.0(13) 4_454 4_454 4_454 no
H8 C10 H8 69.1(14) 4_454 4_454 4_454 no
H8 C10 H8 174.1(13) 4_454 4_454 4_454 no
H8 C10 H9 100.8(30) 4_454 4_454 4_454 no
H8 C10 H8 174.1(13) 4_455 4_455 4_455 no
H8 C10 H8 68.6(14) 4_455 4_455 4_455 no
H8 C10 H8 41.7(13) 4_455 4_455 4_455 no
H8 C10 H9 85.1(30) 4_455 4_455 4_455 no
H8 C10 H8 110.8(20) 3_754 3_754 3_754 no
H8 C10 H8 137.7(11) 3_754 3_754 3_754 no
H8 C10 H9 100.8(30) 3_754 3_754 3_754 no
H8 C10 H8 110.1(20) 2_755 2_755 2_755 no
H8 C10 H9 96.3(13) 2_755 2_755 2_755 no
H8 C10 H9 85.1(30) 3_755 3_755 3_755 no
Cl1 H1 O1 104.8(24) 3_765 3_765 3_765 no
Cl1 H1 N1 147.2(25) 3_765 3_765 3_765 no
Cl1 H1 N2 158.3(47) 3_765 3_765 3_765 no
Cl1 H1 C1 130.6(30) 3_765 3_765 3_765 no
Cl1 H1 C2 159.2(30) 3_765 3_765 3_765 no
Cl1 H1 C3 170.7(25) 3_765 3_765 3_765 no
Cl1 H1 C3 80.0(10) 3_765 3_765 3_765 no
Cl1 H1 C3 80.0(10) 3_765 3_765 3_765 no
Cl1 H1 C4 168.2(24) 3_765 3_765 3_765 no
Cl1 H1 C4 62.8(8) 3_765 3_765 3_765 no
Cl1 H1 C4 62.8(8) 3_765 3_765 3_765 no
Cl1 H1 C6 118.6(23) 3_765 3_765 3_765 no
Cl1 H1 H2 101.1(21) 3_765 3_765 3_765 no
Cl1 H1 H2 101.1(21) 3_765 3_765 3_765 no
Cl1 H1 H3 122.3(21) 3_765 3_765 3_765 no
Cl1 H1 H4 162.2(22) 3_765 3_765 3_765 no
Cl1 H1 H4 60.0(17) 3_765 3_765 3_765 no
Cl1 H1 H4 93.1(13) 3_765 3_765 3_765 no
Cl1 H1 H4 93.1(13) 3_765 3_765 3_765 no
Cl1 H1 H5 78.2(13) 3_765 3_765 3_765 no
Cl1 H1 H5 78.3(13) 3_765 3_765 3_765 no
Cl1 H1 H6 58.1(11) 3_765 3_765 3_765 no
Cl1 H1 H6 58.1(11) 3_765 3_765 3_765 no
O1 H1 N1 42.4(7) . . . no
O1 H1 N2 53.5(24) . . . no
O1 H1 C1 25.8(6) . . . no
O1 H1 C2 96.0(19) . . . no
O1 H1 C3 84.5(14) . . . no
O1 H1 C3 82.2(9) . . . no
O1 H1 C3 82.2(9) . . . no
O1 H1 C4 63.4(10) . . . no
O1 H1 C4 98.7(11) . . . no
O1 H1 C4 98.7(11) . . . no
O1 H1 C6 136.6(24) . . . no
O1 H1 H2 147.3(21) . . . no
O1 H1 H2 147.3(21) . . . no
O1 H1 H3 132.9(21) . . . no
O1 H1 H4 93.0(14) . . . no
O1 H1 H4 44.8(10) . . . no
O1 H1 H4 85.6(12) . . . no
O1 H1 H4 85.6(12) . . . no
O1 H1 H5 121.0(9) . . . no
O1 H1 H5 121.0(9) . . . no
O1 H1 H6 128.4(12) . . . no
O1 H1 H6 128.4(12) . . . no
N1 H1 N2 11.1(22) . . . no
N1 H1 C1 16.7(7) . . . no
N1 H1 C2 53.6(12) . . . no
N1 H1 C3 42.0(7) . . . no
N1 H1 C3 92.6(8) . . . no
N1 H1 C3 92.6(8) . . . no
N1 H1 C4 21.0(4) . . . no
N1 H1 C4 113.8(7) . . . no
N1 H1 C4 113.8(7) . . . no
N1 H1 C6 94.1(19) . . . no
N1 H1 H2 109.7(22) . . . no
N1 H1 H2 109.7(22) . . . no
N1 H1 H3 90.5(17) . . . no
N1 H1 H4 50.5(9) . . . no
N1 H1 H4 87.3(11) . . . no
N1 H1 H4 85.4(12) . . . no
N1 H1 H4 85.4(12) . . . no
N1 H1 H5 115.5(12) . . . no
N1 H1 H5 115.5(12) . . . no
N1 H1 H6 135.8(8) . . . no
N1 H1 H6 135.8(8) . . . no
N2 H1 C1 27.7(18) . . . no
N2 H1 C2 42.5(24) . . . no
N2 H1 C3 31.0(24) . . . no
N2 H1 C3 95.3(10) . . . no
N2 H1 C3 95.3(10) . . . no
N2 H1 C4 9.9(23) . . . no
N2 H1 C4 116.0(8) . . . no
N2 H1 C4 116.0(8) . . . no
N2 H1 C6 83.0(36) . . . no
N2 H1 H2 99.3(38) . . . no
N2 H1 H2 99.3(38) . . . no
N2 H1 H3 79.4(35) . . . no
N2 H1 H4 39.5(27) . . . no
N2 H1 H4 98.3(31) . . . no
N2 H1 H4 85.7(12) . . . no
N2 H1 H4 85.7(12) . . . no
N2 H1 H5 111.5(19) . . . no
N2 H1 H5 111.5(19) . . . no
N2 H1 H6 132.6(17) . . . no
N2 H1 H6 132.6(17) . . . no
C1 H1 C2 70.3(17) . . . no
C1 H1 C3 58.7(13) . . . no
C1 H1 C3 88.4(9) . . . no
C1 H1 C3 88.4(9) . . . no
C1 H1 C4 37.7(10) . . . no
C1 H1 C4 108.9(10) . . . no
C1 H1 C4 108.9(10) . . . no
C1 H1 C6 110.8(25) . . . no
C1 H1 H2 125.1(26) . . . no
C1 H1 H2 125.1(26) . . . no
C1 H1 H3 107.2(23) . . . no
C1 H1 H4 67.2(14) . . . no
C1 H1 H4 70.6(14) . . . no
C1 H1 H4 85.1(12) . . . no
C1 H1 H4 85.1(12) . . . no
C1 H1 H5 119.8(10) . . . no
C1 H1 H5 119.8(10) . . . no
C1 H1 H6 136.6(7) . . . no
C1 H1 H6 136.6(7) . . . no
C2 H1 C3 11.6(6) . . . no
C2 H1 C3 103.2(10) . . . no
C2 H1 C3 103.2(10) . . . no
C2 H1 C4 32.6(9) . . . no
C2 H1 C4 114.5(10) . . . no
C2 H1 C4 114.5(10) . . . no
C2 H1 C6 40.5(12) . . . no
C2 H1 H2 59.5(19) . . . no
C2 H1 H2 59.5(19) . . . no
C2 H1 H3 36.9(15) . . . no
C2 H1 H4 3.1(10) . . . no
C2 H1 H4 140.9(20) . . . no
C2 H1 H4 88.5(14) . . . no
C2 H1 H4 88.5(14) . . . no
C2 H1 H5 91.1(16) . . . no
C2 H1 H5 91.1(16) . . . no
C2 H1 H6 108.4(17) . . . no
C2 H1 H6 108.4(17) . . . no
C3 H1 C3 101.6(10) . . . no
C3 H1 C3 101.6(10) . . . no
C3 H1 C4 21.0(4) . . . no
C3 H1 C4 116.5(9) . . . no
C3 H1 C4 116.5(9) . . . no
C3 H1 C6 52.1(12) . . . no
C3 H1 H2 70.2(18) . . . no
C3 H1 H2 70.2(18) . . . no
C3 H1 H3 48.5(13) . . . no
C3 H1 H4 8.5(6) . . . no
C3 H1 H4 129.3(14) . . . no
C3 H1 H4 87.6(13) . . . no
C3 H1 H4 87.6(13) . . . no
C3 H1 H5 97.1(15) . . . no
C3 H1 H5 97.1(15) . . . no
C3 H1 H6 116.2(14) . . . no
C3 H1 H6 116.2(14) . . . no
C3 H1 C3 150.5(20) 3_665 3_665 3_665 no
C3 H1 C4 97.6(9) 3_665 3_665 3_665 no
C3 H1 C4 21.2(2) 3_665 3_665 3_665 no
C3 H1 C4 141.9(18) 3_665 3_665 3_665 no
C3 H1 C6 104.3(10) 3_665 3_665 3_665 no
C3 H1 H2 122.1(16) 3_665 3_665 3_665 no
C3 H1 H2 83.1(9) 3_665 3_665 3_665 no
C3 H1 H3 104.5(10) 3_665 3_665 3_665 no
C3 H1 H4 102.8(10) 3_665 3_665 3_665 no
C3 H1 H4 75.6(10) 3_665 3_665 3_665 no
C3 H1 H4 14.9(7) 3_665 3_665 3_665 no
C3 H1 H4 163.9(22) 3_665 3_665 3_665 no
C3 H1 H5 39.5(7) 3_665 3_665 3_665 no
C3 H1 H5 151.6(16) 3_665 3_665 3_665 no
C3 H1 H6 48.8(6) 3_665 3_665 3_665 no
C3 H1 H6 131.5(15) 3_665 3_665 3_665 no
C3 H1 C4 97.6(9) 3_765 3_765 3_765 no
C3 H1 C4 141.9(18) 3_765 3_765 3_765 no
C3 H1 C4 21.2(2) 3_765 3_765 3_765 no
C3 H1 C6 104.3(10) 3_765 3_765 3_765 no
C3 H1 H2 83.0(9) 3_765 3_765 3_765 no
C3 H1 H2 122.1(16) 3_765 3_765 3_765 no
C3 H1 H3 104.5(10) 3_765 3_765 3_765 no
C3 H1 H4 102.8(10) 3_765 3_765 3_765 no
C3 H1 H4 75.6(10) 3_765 3_765 3_765 no
C3 H1 H4 163.9(22) 3_765 3_765 3_765 no
C3 H1 H4 14.9(7) 3_765 3_765 3_765 no
C3 H1 H5 151.6(16) 3_765 3_765 3_765 no
C3 H1 H5 39.5(7) 3_765 3_765 3_765 no
C3 H1 H6 131.5(15) 3_765 3_765 3_765 no
C3 H1 H6 48.8(6) 3_765 3_765 3_765 no
C4 H1 C4 117.1(7) . . . no
C4 H1 C4 117.1(7) . . . no
C4 H1 C6 73.1(15) . . . no
C4 H1 H2 90.0(20) . . . no
C4 H1 H2 90.0(20) . . . no
C4 H1 H3 69.5(14) . . . no
C4 H1 H4 29.6(6) . . . no
C4 H1 H4 108.3(12) . . . no
C4 H1 H4 86.2(13) . . . no
C4 H1 H4 86.2(13) . . . no
C4 H1 H5 107.3(14) . . . no
C4 H1 H5 107.3(14) . . . no
C4 H1 H6 128.4(12) . . . no
C4 H1 H6 128.3(12) . . . no
C4 H1 C4 125.4(15) 3_665 3_665 3_665 no
C4 H1 C6 100.9(10) 3_665 3_665 3_665 no
C4 H1 H2 110.8(16) 3_665 3_665 3_665 no
C4 H1 H2 75.9(11) 3_665 3_665 3_665 no
C4 H1 H3 102.4(10) 3_665 3_665 3_665 no
C4 H1 H4 115.1(9) 3_665 3_665 3_665 no
C4 H1 H4 78.5(10) 3_665 3_665 3_665 no
C4 H1 H4 30.9(7) 3_665 3_665 3_665 no
C4 H1 H4 155.8(21) 3_665 3_665 3_665 no
C4 H1 H5 29.7(9) 3_665 3_665 3_665 no
C4 H1 H5 130.5(15) 3_665 3_665 3_665 no
C4 H1 H6 29.9(6) 3_665 3_665 3_665 no
C4 H1 H6 110.3(13) 3_665 3_665 3_665 no
C4 H1 C6 100.9(10) 3_765 3_765 3_765 no
C4 H1 H2 75.9(11) 3_765 3_765 3_765 no
C4 H1 H2 110.8(16) 3_765 3_765 3_765 no
C4 H1 H3 102.4(10) 3_765 3_765 3_765 no
C4 H1 H4 115.1(9) 3_765 3_765 3_765 no
C4 H1 H4 78.6(10) 3_765 3_765 3_765 no
C4 H1 H4 155.8(21) 3_765 3_765 3_765 no
C4 H1 H4 30.9(7) 3_765 3_765 3_765 no
C4 H1 H5 130.5(15) 3_765 3_765 3_765 no
C4 H1 H5 29.7(9) 3_765 3_765 3_765 no
C4 H1 H6 110.3(13) 3_765 3_765 3_765 no
C4 H1 H6 29.9(6) 3_765 3_765 3_765 no
C6 H1 H2 25.7(11) . . . no
C6 H1 H2 25.7(11) . . . no
C6 H1 H3 3.6(11) . . . no
C6 H1 H4 43.6(13) . . . no
C6 H1 H4 178.6(20) . . . no
C6 H1 H4 91.8(14) . . . no
C6 H1 H4 91.8(14) . . . no
C6 H1 H5 71.2(12) . . . no
C6 H1 H5 71.2(12) . . . no
C6 H1 H6 79.2(12) . . . no
C6 H1 H6 79.2(12) . . . no
H2 H1 H2 39.4(20) . . . no
H2 H1 H3 28.1(14) . . . no
H2 H1 H4 62.3(17) . . . no
H2 H1 H4 153.4(18) . . . no
H2 H1 H4 112.7(20) . . . no
H2 H1 H4 73.4(13) . . . no
H2 H1 H5 83.4(16) . . . no
H2 H1 H5 46.4(13) . . . no
H2 H1 H6 82.4(15) . . . no
H2 H1 H6 53.7(14) . . . no
H2 H1 H3 28.1(14) 2_755 2_755 2_755 no
H2 H1 H4 62.3(17) 2_755 2_755 2_755 no
H2 H1 H4 153.4(18) 2_755 2_755 2_755 no
H2 H1 H4 73.4(13) 2_755 2_755 2_755 no
H2 H1 H4 112.7(20) 2_755 2_755 2_755 no
H2 H1 H5 46.4(13) 2_755 2_755 2_755 no
H2 H1 H5 83.4(16) 2_755 2_755 2_755 no
H2 H1 H6 53.7(14) 2_755 2_755 2_755 no
H2 H1 H6 82.4(15) 2_755 2_755 2_755 no
H3 H1 H4 40.0(12) . . . no
H3 H1 H4 177.8(17) . . . no
H3 H1 H4 91.5(14) . . . no
H3 H1 H4 91.5(14) . . . no
H3 H1 H5 72.8(13) . . . no
H3 H1 H5 72.8(13) . . . no
H3 H1 H6 81.8(12) . . . no
H3 H1 H6 81.8(12) . . . no
H4 H1 H4 137.8(13) . . . no
H4 H1 H4 88.2(13) . . . no
H4 H1 H4 88.2(13) . . . no
H4 H1 H5 92.7(14) . . . no
H4 H1 H5 92.7(14) . . . no
H4 H1 H6 110.5(13) . . . no
H4 H1 H6 110.5(13) . . . no
H4 H1 H4 88.3(13) 1_556 1_556 1_556 no
H4 H1 H4 88.3(13) 1_556 1_556 1_556 no
H4 H1 H5 108.2(14) 1_556 1_556 1_556 no
H4 H1 H5 108.2(14) 1_556 1_556 1_556 no
H4 H1 H6 99.8(13) 1_556 1_556 1_556 no
H4 H1 H6 99.8(13) 1_556 1_556 1_556 no
H4 H1 H4 170.2(23) 3_665 3_665 3_665 no
H4 H1 H5 36.1(9) 3_665 3_665 3_665 no
H4 H1 H5 153.3(19) 3_665 3_665 3_665 no
H4 H1 H6 51.7(9) 3_665 3_665 3_665 no
H4 H1 H6 137.9(17) 3_665 3_665 3_665 no
H4 H1 H5 153.3(19) 3_765 3_765 3_765 no
H4 H1 H5 36.1(9) 3_765 3_765 3_765 no
H4 H1 H6 137.9(17) 3_765 3_765 3_765 no
H4 H1 H6 51.7(9) 3_765 3_765 3_765 no
H5 H1 H5 117.3(17) 3_665 3_665 3_665 no
H5 H1 H6 21.2(9) 3_665 3_665 3_665 no
H5 H1 H6 103.6(14) 3_665 3_665 3_665 no
H5 H1 H6 103.6(14) 3_765 3_765 3_765 no
H5 H1 H6 21.2(9) 3_765 3_765 3_765 no
H6 H1 H6 86.2(13) 4_465 4_465 4_465 no
Cl1 H2 O1 120.9(13) 3_765 3_765 3_765 no
Cl1 H2 N2 59.7(8) 3_765 3_765 3_765 no
Cl1 H2 C1 62.7(6) 3_765 3_765 3_765 no
Cl1 H2 C1 138.8(11) 3_765 3_765 3_765 no
Cl1 H2 C2 87.7(11) 3_765 3_765 3_765 no
Cl1 H2 C3 104.7(8) 3_765 3_765 3_765 no
Cl1 H2 C3 61.1(7) 3_765 3_765 3_765 no
Cl1 H2 C4 55.2(6) 3_765 3_765 3_765 no
Cl1 H2 C5 68.3(8) 3_765 3_765 3_765 no
Cl1 H2 C6 104.0(22) 3_765 3_765 3_765 no
Cl1 H2 C7 142.7(10) 3_765 3_765 3_765 no
Cl1 H2 C8 140.3(9) 3_765 3_765 3_765 no
Cl1 H2 H1 36.5(15) 3_765 3_765 3_765 no
Cl1 H2 H2 76.6(6) 3_765 3_765 3_765 no
Cl1 H2 H3 137.2(21) 3_765 3_765 3_765 no
Cl1 H2 H4 118.8(10) 3_765 3_765 3_765 no
Cl1 H2 H4 72.6(11) 3_765 3_765 3_765 no
Cl1 H2 H5 81.5(15) 3_765 3_765 3_765 no
Cl1 H2 H6 62.2(11) 3_765 3_765 3_765 no
Cl1 H2 H7 123.8(9) 3_765 3_765 3_765 no
Cl1 H2 H7 149.2(10) 3_765 3_765 3_765 no
Cl1 H2 H9 52.0(9) 3_765 3_765 3_765 no
O1 H2 N2 103.3(9) 3_764 3_764 3_764 no
O1 H2 C1 97.2(7) 3_764 3_764 3_764 no
O1 H2 C1 19.3(3) 3_764 3_764 3_764 no
O1 H2 C2 97.6(10) 3_764 3_764 3_764 no
O1 H2 C3 86.1(8) 3_764 3_764 3_764 no
O1 H2 C3 60.6(6) 3_764 3_764 3_764 no
O1 H2 C4 66.8(7) 3_764 3_764 3_764 no
O1 H2 C5 61.1(6) 3_764 3_764 3_764 no
O1 H2 C6 118.0(23) 3_764 3_764 3_764 no
O1 H2 C7 42.3(5) 3_764 3_764 3_764 no
O1 H2 C8 61.9(6) 3_764 3_764 3_764 no
O1 H2 H1 115.0(14) 3_764 3_764 3_764 no
O1 H2 H2 158.3(8) 3_764 3_764 3_764 no
O1 H2 H3 96.9(20) 3_764 3_764 3_764 no
O1 H2 H4 82.4(8) 3_764 3_764 3_764 no
O1 H2 H4 50.2(7) 3_764 3_764 3_764 no
O1 H2 H5 47.4(12) 3_764 3_764 3_764 no
O1 H2 H6 74.3(12) 3_764 3_764 3_764 no
O1 H2 H7 113.3(13) 3_764 3_764 3_764 no
O1 H2 H7 71.9(10) 3_764 3_764 3_764 no
O1 H2 H9 122.8(10) 3_764 3_764 3_764 no
N2 H2 C1 6.1(2) . . . no
N2 H2 C1 105.4(8) . . . no
N2 H2 C2 29.5(4) . . . no
N2 H2 C3 45.5(4) . . . no
N2 H2 C3 66.1(8) . . . no
N2 H2 C4 80.9(9) . . . no
N2 H2 C5 102.5(12) . . . no
N2 H2 C6 63.8(15) . . . no
N2 H2 C7 142.3(10) . . . no
N2 H2 C8 158.6(12) . . . no
N2 H2 H1 23.3(14) . . . no
N2 H2 H2 73.3(7) . . . no
N2 H2 H3 94.9(23) . . . no
N2 H2 H4 60.1(8) . . . no
N2 H2 H4 67.2(9) . . . no
N2 H2 H5 106.7(17) . . . no
N2 H2 H6 108.0(15) . . . no
N2 H2 H7 121.2(11) . . . no
N2 H2 H7 149.4(15) . . . no
N2 H2 H9 109.8(14) . . . no
C1 H2 C1 99.7(6) . . . no
C1 H2 C2 29.2(6) . . . no
C1 H2 C3 43.8(3) . . . no
C1 H2 C3 62.2(5) . . . no
C1 H2 C4 78.2(7) . . . no
C1 H2 C5 99.7(9) . . . no
C1 H2 C6 66.5(16) . . . no
C1 H2 C7 136.6(8) . . . no
C1 H2 C8 153.9(10) . . . no
C1 H2 H1 27.1(14) . . . no
C1 H2 H2 78.9(5) . . . no
C1 H2 H3 95.7(23) . . . no
C1 H2 H4 58.4(8) . . . no
C1 H2 H4 62.3(7) . . . no
C1 H2 H5 102.6(14) . . . no
C1 H2 H6 106.6(13) . . . no
C1 H2 H7 124.9(9) . . . no
C1 H2 H7 147.5(12) . . . no
C1 H2 H9 113.9(12) . . . no
C1 H2 C2 90.5(10) 3_764 3_764 3_764 no
C1 H2 C3 75.8(7) 3_764 3_764 3_764 no
C1 H2 C3 77.7(6) 3_764 3_764 3_764 no
C1 H2 C4 85.9(7) 3_764 3_764 3_764 no
C1 H2 C5 79.7(7) 3_764 3_764 3_764 no
C1 H2 C6 101.2(22) 3_764 3_764 3_764 no
C1 H2 C7 36.9(3) 3_764 3_764 3_764 no
C1 H2 C8 55.3(5) 3_764 3_764 3_764 no
C1 H2 H1 123.4(14) 3_764 3_764 3_764 no
C1 H2 H2 139.7(6) 3_764 3_764 3_764 no
C1 H2 H3 77.6(19) 3_764 3_764 3_764 no
C1 H2 H4 68.4(7) 3_764 3_764 3_764 no
C1 H2 H4 66.4(8) 3_764 3_764 3_764 no
C1 H2 H5 65.8(12) 3_764 3_764 3_764 no
C1 H2 H6 92.0(12) 3_764 3_764 3_764 no
C1 H2 H7 97.1(11) 3_764 3_764 3_764 no
C1 H2 H7 60.2(8) 3_764 3_764 3_764 no
C1 H2 H9 135.5(9) 3_764 3_764 3_764 no
C2 H2 C3 17.2(4) . . . no
C2 H2 C3 86.7(10) . . . no
C2 H2 C4 105.2(12) . . . no
C2 H2 C5 125.6(14) . . . no
C2 H2 C6 41.0(10) . . . no
C2 H2 C7 123.0(13) . . . no
C2 H2 C8 132.0(16) . . . no
C2 H2 H1 51.5(16) . . . no
C2 H2 H2 68.6(8) . . . no
C2 H2 H3 66.6(22) . . . no
C2 H2 H4 31.1(8) . . . no
C2 H2 H4 82.7(10) . . . no
C2 H2 H5 124.0(17) . . . no
C2 H2 H6 135.1(18) . . . no
C2 H2 H7 99.2(13) . . . no
C2 H2 H7 119.9(17) . . . no
C2 H2 H9 132.7(15) . . . no
C3 H2 C3 92.3(7) . . . no
C3 H2 C4 112.3(8) . . . no
C3 H2 C5 129.2(10) . . . no
C3 H2 C6 39.8(11) . . . no
C3 H2 C7 106.1(10) . . . no
C3 H2 C8 114.9(12) . . . no
C3 H2 H1 68.3(15) . . . no
C3 H2 H2 76.3(6) . . . no
C3 H2 H3 55.2(21) . . . no
C3 H2 H4 14.7(7) . . . no
C3 H2 H4 85.1(8) . . . no
C3 H2 H5 122.7(13) . . . no
C3 H2 H6 142.5(13) . . . no
C3 H2 H7 92.1(10) . . . no
C3 H2 H7 104.1(13) . . . no
C3 H2 H9 148.6(11) . . . no
C3 H2 C4 20.2(2) 3_765 3_765 3_765 no
C3 H2 C5 38.8(4) 3_765 3_765 3_765 no
C3 H2 C6 127.6(19) 3_765 3_765 3_765 no
C3 H2 C7 97.0(7) 3_765 3_765 3_765 no
C3 H2 C8 113.0(8) 3_765 3_765 3_765 no
C3 H2 H1 62.0(10) 3_765 3_765 3_765 no
C3 H2 H2 131.8(5) 3_765 3_765 3_765 no
C3 H2 H3 143.2(23) 3_765 3_765 3_765 no
C3 H2 H4 102.5(9) 3_765 3_765 3_765 no
C3 H2 H4 12.2(7) 3_765 3_765 3_765 no
C3 H2 H5 40.5(12) 3_765 3_765 3_765 no
C3 H2 H6 50.3(9) 3_765 3_765 3_765 no
C3 H2 H7 172.2(10) 3_765 3_765 3_765 no
C3 H2 H7 128.3(11) 3_765 3_765 3_765 no
C3 H2 H9 92.4(11) 3_765 3_765 3_765 no
C4 H2 C5 21.6(3) 3_765 3_765 3_765 no
C4 H2 C6 144.7(22) 3_765 3_765 3_765 no
C4 H2 C7 93.4(6) 3_765 3_765 3_765 no
C4 H2 C8 104.6(7) 3_765 3_765 3_765 no
C4 H2 H1 70.1(13) 3_765 3_765 3_765 no
C4 H2 H2 131.8(5) 3_765 3_765 3_765 no
C4 H2 H3 161.3(22) 3_765 3_765 3_765 no
C4 H2 H4 122.7(10) 3_765 3_765 3_765 no
C4 H2 H4 29.8(7) 3_765 3_765 3_765 no
C4 H2 H5 29.4(12) 3_765 3_765 3_765 no
C4 H2 H6 30.5(7) 3_765 3_765 3_765 no
C4 H2 H7 155.4(8) 3_765 3_765 3_765 no
C4 H2 H7 121.4(10) 3_765 3_765 3_765 no
C4 H2 H9 73.9(9) 3_765 3_765 3_765 no
C5 H2 C6 166.2(23) 3_765 3_765 3_765 no
C5 H2 C7 76.0(6) 3_765 3_765 3_765 no
C5 H2 C8 84.2(6) 3_765 3_765 3_765 no
C5 H2 H1 90.5(16) 3_765 3_765 3_765 no
C5 H2 H2 140.5(6) 3_765 3_765 3_765 no
C5 H2 H3 154.4(23) 3_765 3_765 3_765 no
C5 H2 H4 135.7(10) 3_765 3_765 3_765 no
C5 H2 H4 44.2(7) 3_765 3_765 3_765 no
C5 H2 H5 14.0(11) 3_765 3_765 3_765 no
C5 H2 H6 15.2(7) 3_765 3_765 3_765 no
C5 H2 H7 135.0(8) 3_765 3_765 3_765 no
C5 H2 H7 101.1(9) 3_765 3_765 3_765 no
C5 H2 H9 66.9(7) 3_765 3_765 3_765 no
C6 H2 C7 113.1(26) . . . no
C6 H2 C8 107.8(26) . . . no
C6 H2 H1 77.4(21) . . . no
C6 H2 H2 40.8(18) . . . no
C6 H2 H3 35.0(22) . . . no
C6 H2 H4 37.0(13) . . . no
C6 H2 H4 123.4(18) . . . no
C6 H2 H5 162.3(23) . . . no
C6 H2 H6 165.9(30) . . . no
C6 H2 H7 58.8(19) . . . no
C6 H2 H7 91.2(26) . . . no
C6 H2 H9 118.2(20) . . . no
C7 H2 C8 19.6(2) 3_764 3_764 3_764 no
C7 H2 H1 157.2(14) 3_764 3_764 3_764 no
C7 H2 H2 131.2(5) 3_764 3_764 3_764 no
C7 H2 H3 78.8(21) 3_764 3_764 3_764 no
C7 H2 H4 94.2(10) 3_764 3_764 3_764 no
C7 H2 H4 89.5(8) 3_764 3_764 3_764 no
C7 H2 H5 64.3(12) 3_764 3_764 3_764 no
C7 H2 H6 80.5(11) 3_764 3_764 3_764 no
C7 H2 H7 75.5(9) 3_764 3_764 3_764 no
C7 H2 H7 31.4(6) 3_764 3_764 3_764 no
C7 H2 H9 104.1(8) 3_764 3_764 3_764 no
C8 H2 H1 174.7(18) 3_764 3_764 3_764 no
C8 H2 H2 114.3(6) 3_764 3_764 3_764 no
C8 H2 H3 73.2(23) 3_764 3_764 3_764 no
C8 H2 H4 100.9(12) 3_764 3_764 3_764 no
C8 H2 H4 107.3(9) 3_764 3_764 3_764 no
C8 H2 H5 75.4(12) 3_764 3_764 3_764 no
C8 H2 H6 83.8(10) 3_764 3_764 3_764 no
C8 H2 H7 59.2(8) 3_764 3_764 3_764 no
C8 H2 H7 16.9(5) 3_764 3_764 3_764 no
C8 H2 H9 91.5(9) 3_764 3_764 3_764 no
H1 H2 H2 70.3(10) . . . no
H1 H2 H3 111.9(27) . . . no
H1 H2 H4 82.6(18) . . . no
H1 H2 H4 68.3(11) . . . no
H1 H2 H5 99.3(20) . . . no
H1 H2 H6 91.2(20) . . . no
H1 H2 H7 125.7(13) . . . no
H1 H2 H7 168.4(19) . . . no
H1 H2 H9 86.8(18) . . . no
H2 H2 H3 62.6(18) 2_755 2_755 2_755 no
H2 H2 H4 77.4(5) 2_755 2_755 2_755 no
H2 H2 H4 138.4(7) 2_755 2_755 2_755 no
H2 H2 H5 154.3(13) 2_755 2_755 2_755 no
H2 H2 H6 127.4(10) 2_755 2_755 2_755 no
H2 H2 H7 55.7(7) 2_755 2_755 2_755 no
H2 H2 H7 99.9(8) 2_755 2_755 2_755 no
H2 H2 H9 77.6(5) 2_755 2_755 2_755 no
H3 H2 H4 42.4(20) . . . no
H3 H2 H4 132.1(22) . . . no
H3 H2 H5 141.2(23) . . . no
H3 H2 H6 156.8(28) . . . no
H3 H2 H7 38.6(20) . . . no
H3 H2 H7 57.0(23) . . . no
H3 H2 H9 124.3(24) . . . no
H4 H2 H4 93.6(6) . . . no
H4 H2 H5 125.7(14) . . . no
H4 H2 H6 150.7(14) . . . no
H4 H2 H7 80.6(12) . . . no
H4 H2 H7 89.4(14) . . . no
H4 H2 H9 154.8(10) . . . no
H4 H2 H5 41.6(12) 3_765 3_765 3_765 no
H4 H2 H6 57.8(12) 3_765 3_765 3_765 no
H4 H2 H7 163.4(14) 3_765 3_765 3_765 no
H4 H2 H7 120.8(12) 3_765 3_765 3_765 no
H4 H2 H9 103.6(14) 3_765 3_765 3_765 no
H5 H2 H6 27.2(12) 3_765 3_765 3_765 no
H5 H2 H7 132.0(14) 3_765 3_765 3_765 no
H5 H2 H7 92.2(14) 3_765 3_765 3_765 no
H5 H2 H9 78.5(12) 3_765 3_765 3_765 no
H6 H2 H7 124.9(9) 3_765 3_765 3_765 no
H6 H2 H7 99.8(12) 3_765 3_765 3_765 no
H6 H2 H9 51.8(8) 3_765 3_765 3_765 no
H7 H2 H7 44.2(11) 4_464 4_464 4_464 no
H7 H2 H9 87.3(10) 4_464 4_464 4_464 no
H7 H2 H9 97.2(11) 3_764 3_764 3_764 no
Cl1 H3 O1 99.7(14) 3_764 3_764 3_764 no
Cl1 H3 O1 99.7(14) 3_764 3_764 3_764 no
Cl1 H3 N1 64.3(12) 3_764 3_764 3_764 no
Cl1 H3 N1 64.3(12) 3_764 3_764 3_764 no
Cl1 H3 N2 146.5(20) 3_764 3_764 3_764 no
Cl1 H3 C1 80.5(14) 3_764 3_764 3_764 no
Cl1 H3 C1 80.5(14) 3_764 3_764 3_764 no
Cl1 H3 C2 132.2(26) 3_764 3_764 3_764 no
Cl1 H3 C3 101.4(23) 3_764 3_764 3_764 no
Cl1 H3 C6 173.4(38) 3_764 3_764 3_764 no
Cl1 H3 C8 71.7(15) 3_764 3_764 3_764 no
Cl1 H3 C8 71.7(15) 3_764 3_764 3_764 no
Cl1 H3 H1 165.3(19) 3_764 3_764 3_764 no
Cl1 H3 H2 148.7(22) 3_764 3_764 3_764 no
Cl1 H3 H2 148.7(22) 3_764 3_764 3_764 no
Cl1 H3 H4 81.6(25) 3_764 3_764 3_764 no
Cl1 H3 H7 61.7(20) 3_764 3_764 3_764 no
Cl1 H3 H7 61.7(20) 3_764 3_764 3_764 no
O1 H3 O1 159.2(27) 3_664 3_664 3_664 no
O1 H3 N1 36.5(2) 3_664 3_664 3_664 no
O1 H3 N1 163.9(26) 3_664 3_664 3_664 no
O1 H3 N2 79.8(13) 3_664 3_664 3_664 no
O1 H3 C1 20.12(7) 3_664 3_664 3_664 no
O1 H3 C1 166.7(16) 3_664 3_664 3_664 no
O1 H3 C2 80.7(12) 3_664 3_664 3_664 no
O1 H3 C3 84.5(9) 3_664 3_664 3_664 no
O1 H3 C6 79.9(14) 3_664 3_664 3_664 no
O1 H3 C8 57.4(3) 3_664 3_664 3_664 no
O1 H3 C8 137.3(14) 3_664 3_664 3_664 no
O1 H3 H1 79.7(14) 3_664 3_664 3_664 no
O1 H3 H2 108.9(31) 3_664 3_664 3_664 no
O1 H3 H2 54.5(11) 3_664 3_664 3_664 no
O1 H3 H4 87.8(8) 3_664 3_664 3_664 no
O1 H3 H7 68.4(7) 3_664 3_664 3_664 no
O1 H3 H7 128.4(16) 3_664 3_664 3_664 no
O1 H3 N1 163.9(26) 3_764 3_764 3_764 no
O1 H3 N1 36.5(2) 3_764 3_764 3_764 no
O1 H3 N2 79.8(13) 3_764 3_764 3_764 no
O1 H3 C1 166.7(16) 3_764 3_764 3_764 no
O1 H3 C1 20.11(7) 3_764 3_764 3_764 no
O1 H3 C2 80.7(12) 3_764 3_764 3_764 no
O1 H3 C3 84.4(9) 3_764 3_764 3_764 no
O1 H3 C6 79.9(14) 3_764 3_764 3_764 no
O1 H3 C8 137.3(14) 3_764 3_764 3_764 no
O1 H3 C8 57.4(3) 3_764 3_764 3_764 no
O1 H3 H1 79.7(14) 3_764 3_764 3_764 no
O1 H3 H2 54.5(11) 3_764 3_764 3_764 no
O1 H3 H2 108.9(31) 3_764 3_764 3_764 no
O1 H3 H4 87.7(8) 3_764 3_764 3_764 no
O1 H3 H7 128.4(16) 3_764 3_764 3_764 no
O1 H3 H7 68.4(7) 3_764 3_764 3_764 no
N1 H3 N1 127.5(23) 3_664 3_664 3_664 no
N1 H3 N2 114.1(9) 3_664 3_664 3_664 no
N1 H3 C1 21.7(2) 3_664 3_664 3_664 no
N1 H3 C1 144.5(26) 3_664 3_664 3_664 no
N1 H3 C2 110.8(8) 3_664 3_664 3_664 no
N1 H3 C3 99.7(10) 3_664 3_664 3_664 no
N1 H3 C6 116.2(12) 3_664 3_664 3_664 no
N1 H3 C8 39.1(4) 3_664 3_664 3_664 no
N1 H3 C8 112.7(18) 3_664 3_664 3_664 no
N1 H3 H1 116.2(11) 3_664 3_664 3_664 no
N1 H3 H2 139.7(27) 3_664 3_664 3_664 no
N1 H3 H2 86.4(12) 3_664 3_664 3_664 no
N1 H3 H4 91.2(14) 3_664 3_664 3_664 no
N1 H3 H7 44.1(9) 3_664 3_664 3_664 no
N1 H3 H7 100.6(21) 3_664 3_664 3_664 no
N1 H3 N2 114.1(9) 3_764 3_764 3_764 no
N1 H3 C1 144.5(26) 3_764 3_764 3_764 no
N1 H3 C1 21.7(2) 3_764 3_764 3_764 no
N1 H3 C2 110.8(8) 3_764 3_764 3_764 no
N1 H3 C3 99.7(10) 3_764 3_764 3_764 no
N1 H3 C6 116.2(12) 3_764 3_764 3_764 no
N1 H3 C8 112.7(18) 3_764 3_764 3_764 no
N1 H3 C8 39.1(4) 3_764 3_764 3_764 no
N1 H3 H1 116.2(11) 3_764 3_764 3_764 no
N1 H3 H2 86.5(12) 3_764 3_764 3_764 no
N1 H3 H2 139.8(27) 3_764 3_764 3_764 no
N1 H3 H4 91.2(14) 3_764 3_764 3_764 no
N1 H3 H7 100.6(21) 3_764 3_764 3_764 no
N1 H3 H7 44.1(9) 3_764 3_764 3_764 no
N2 H3 C1 92.6(11) . . . no
N2 H3 C1 92.6(11) . . . no
N2 H3 C2 14.3(9) . . . no
N2 H3 C3 45.1(11) . . . no
N2 H3 C6 26.9(20) . . . no
N2 H3 C8 130.2(17) . . . no
N2 H3 C8 130.2(17) . . . no
N2 H3 H1 18.8(10) . . . no
N2 H3 H2 54.5(24) . . . no
N2 H3 H2 54.5(24) . . . no
N2 H3 H4 64.9(17) . . . no
N2 H3 H7 142.6(23) . . . no
N2 H3 H7 142.6(23) . . . no
C1 H3 C1 152.9(23) 3_664 3_664 3_664 no
C1 H3 C2 89.3(9) 3_664 3_664 3_664 no
C1 H3 C3 82.5(8) 3_664 3_664 3_664 no
C1 H3 C6 98.3(14) 3_664 3_664 3_664 no
C1 H3 C8 55.6(4) 3_664 3_664 3_664 no
C1 H3 C8 133.9(19) 3_664 3_664 3_664 no
C1 H3 H1 96.7(13) 3_664 3_664 3_664 no
C1 H3 H2 128.9(31) 3_664 3_664 3_664 no
C1 H3 H2 74.6(11) 3_664 3_664 3_664 no
C1 H3 H4 79.1(9) 3_664 3_664 3_664 no
C1 H3 H7 63.5(8) 3_664 3_664 3_664 no
C1 H3 H7 122.1(22) 3_664 3_664 3_664 no
C1 H3 C2 89.3(9) 3_764 3_764 3_764 no
C1 H3 C3 82.5(8) 3_764 3_764 3_764 no
C1 H3 C6 98.3(14) 3_764 3_764 3_764 no
C1 H3 C8 133.9(19) 3_764 3_764 3_764 no
C1 H3 C8 55.6(4) 3_764 3_764 3_764 no
C1 H3 H1 96.8(13) 3_764 3_764 3_764 no
C1 H3 H2 74.6(11) 3_764 3_764 3_764 no
C1 H3 H2 128.9(31) 3_764 3_764 3_764 no
C1 H3 H4 79.1(9) 3_764 3_764 3_764 no
C1 H3 H7 122.1(22) 3_764 3_764 3_764 no
C1 H3 H7 63.5(8) 3_764 3_764 3_764 no
C2 H3 C3 30.8(7) . . . no
C2 H3 C6 41.2(22) . . . no
C2 H3 C8 136.5(16) . . . no
C2 H3 C8 136.5(16) . . . no
C2 H3 H1 33.1(17) . . . no
C2 H3 H2 66.6(29) . . . no
C2 H3 H2 66.6(29) . . . no
C2 H3 H4 50.6(14) . . . no
C2 H3 H7 148.6(17) . . . no
C2 H3 H7 148.6(17) . . . no
C3 H3 C6 72.0(28) . . . no
C3 H3 C8 138.0(8) . . . no
C3 H3 C8 138.0(8) . . . no
C3 H3 H1 63.9(17) . . . no
C3 H3 H2 93.8(31) . . . no
C3 H3 H2 93.8(31) . . . no
C3 H3 H4 19.8(10) . . . no
C3 H3 H7 143.4(20) . . . no
C3 H3 H7 143.4(20) . . . no
C6 H3 C8 113.0(28) . . . no
C6 H3 C8 113.0(28) . . . no
C6 H3 H1 8.1(23) . . . no
C6 H3 H2 34.7(22) . . . no
C6 H3 H2 34.7(22) . . . no
C6 H3 H4 91.8(32) . . . no
C6 H3 H7 123.6(36) . . . no
C6 H3 H7 123.6(36) . . . no
C8 H3 C8 80.7(12) 4_464 4_464 4_464 no
C8 H3 H1 118.7(18) 4_464 4_464 4_464 no
C8 H3 H2 113.5(28) 4_464 4_464 4_464 no
C8 H3 H2 78.7(17) 4_464 4_464 4_464 no
C8 H3 H4 129.9(19) 4_464 4_464 4_464 no
C8 H3 H7 12.5(8) 4_464 4_464 4_464 no
C8 H3 H7 71.0(14) 4_464 4_464 4_464 no
C8 H3 H1 118.7(18) 3_764 3_764 3_764 no
C8 H3 H2 78.7(17) 3_764 3_764 3_764 no
C8 H3 H2 113.5(28) 3_764 3_764 3_764 no
C8 H3 H4 129.9(19) 3_764 3_764 3_764 no
C8 H3 H7 71.0(14) 3_764 3_764 3_764 no
C8 H3 H7 12.5(8) 3_764 3_764 3_764 no
H1 H3 H2 40.0(22) . . . no
H1 H3 H2 40.0(22) . . . no
H1 H3 H4 83.7(22) . . . no
H1 H3 H7 129.9(25) . . . no
H1 H3 H7 129.9(25) . . . no
H2 H3 H2 54.8(36) . . . no
H2 H3 H4 111.2(32) . . . no
H2 H3 H7 117.6(32) . . . no
H2 H3 H7 90.0(22) . . . no
H2 H3 H4 111.2(32) 2_755 2_755 2_755 no
H2 H3 H7 90.0(22) 2_755 2_755 2_755 no
H2 H3 H7 117.6(32) 2_755 2_755 2_755 no
H4 H3 H7 130.2(31) . . . no
H4 H3 H7 130.2(31) . . . no
H7 H3 H7 60.4(18) 4_464 4_464 4_464 no
Cl1 H4 O1 75.0(10) 3_764 3_764 3_764 no
Cl1 H4 N1 162.8(14) 3_764 3_764 3_764 no
Cl1 H4 N2 119.5(11) 3_764 3_764 3_764 no
Cl1 H4 N2 76.3(6) 3_764 3_764 3_764 no
Cl1 H4 N2 76.3(6) 3_764 3_764 3_764 no
Cl1 H4 C1 140.9(12) 3_764 3_764 3_764 no
Cl1 H4 C1 64.2(7) 3_764 3_764 3_764 no
Cl1 H4 C1 66.5(5) 3_764 3_764 3_764 no
Cl1 H4 C1 66.5(5) 3_764 3_764 3_764 no
Cl1 H4 C2 104.2(13) 3_764 3_764 3_764 no
Cl1 H4 C2 69.4(6) 3_764 3_764 3_764 no
Cl1 H4 C2 69.4(6) 3_764 3_764 3_764 no
Cl1 H4 C3 138.6(28) 3_764 3_764 3_764 no
Cl1 H4 C4 177.5(19) 3_764 3_764 3_764 no
Cl1 H4 C5 148.4(16) 3_764 3_764 3_764 no
Cl1 H4 C6 72.4(8) 3_764 3_764 3_764 no
Cl1 H4 H1 107.1(10) 3_764 3_764 3_764 no
Cl1 H4 H1 30.7(8) 3_764 3_764 3_764 no
Cl1 H4 H1 93.9(13) 3_764 3_764 3_764 no
Cl1 H4 H1 93.9(13) 3_764 3_764 3_764 no
Cl1 H4 H2 74.4(9) 3_764 3_764 3_764 no
Cl1 H4 H2 94.5(10) 3_764 3_764 3_764 no
Cl1 H4 H2 74.4(9) 3_764 3_764 3_764 no
Cl1 H4 H2 94.5(10) 3_764 3_764 3_764 no
Cl1 H4 H3 50.8(21) 3_764 3_764 3_764 no
Cl1 H4 H5 128.0(22) 3_764 3_764 3_764 no
Cl1 H4 H6 146.7(16) 3_764 3_764 3_764 no
Cl1 H4 H6 146.7(16) 3_764 3_764 3_764 no
O1 H4 N1 122.2(12) 1_554 1_554 1_554 no
O1 H4 N2 165.5(13) 1_554 1_554 1_554 no
O1 H4 N2 86.2(7) 1_554 1_554 1_554 no
O1 H4 N2 86.2(7) 1_554 1_554 1_554 no
O1 H4 C1 144.1(12) 1_554 1_554 1_554 no
O1 H4 C1 10.8(3) 1_554 1_554 1_554 no
O1 H4 C1 100.3(8) 1_554 1_554 1_554 no
O1 H4 C1 100.3(8) 1_554 1_554 1_554 no
O1 H4 C2 179.2(17) 1_554 1_554 1_554 no
O1 H4 C2 66.4(6) 1_554 1_554 1_554 no
O1 H4 C2 66.4(6) 1_554 1_554 1_554 no
O1 H4 C3 146.4(29) 1_554 1_554 1_554 no
O1 H4 C4 107.5(15) 1_554 1_554 1_554 no
O1 H4 C5 73.4(10) 1_554 1_554 1_554 no
O1 H4 C6 147.4(15) 1_554 1_554 1_554 no
O1 H4 H1 177.9(13) 1_554 1_554 1_554 no
O1 H4 H1 44.3(11) 1_554 1_554 1_554 no
O1 H4 H1 88.1(14) 1_554 1_554 1_554 no
O1 H4 H1 88.1(14) 1_554 1_554 1_554 no
O1 H4 H2 146.8(14) 1_554 1_554 1_554 no
O1 H4 H2 51.9(8) 1_554 1_554 1_554 no
O1 H4 H2 146.8(14) 1_554 1_554 1_554 no
O1 H4 H2 51.9(8) 1_554 1_554 1_554 no
O1 H4 H3 125.8(25) 1_554 1_554 1_554 no
O1 H4 H5 53.0(16) 1_554 1_554 1_554 no
O1 H4 H6 74.1(12) 1_554 1_554 1_554 no
O1 H4 H6 74.1(12) 1_554 1_554 1_554 no
N1 H4 N2 43.3(6) . . . no
N1 H4 N2 103.2(7) . . . no
N1 H4 N2 103.2(7) . . . no
N1 H4 C1 21.9(3) . . . no
N1 H4 C1 133.0(11) . . . no
N1 H4 C1 107.2(7) . . . no
N1 H4 C1 107.2(7) . . . no
N1 H4 C2 58.6(10) . . . no
N1 H4 C2 115.5(5) . . . no
N1 H4 C2 115.5(5) . . . no
N1 H4 C3 24.2(17) . . . no
N1 H4 C4 14.8(5) . . . no
N1 H4 C5 48.8(7) . . . no
N1 H4 C6 90.4(12) . . . no
N1 H4 H1 55.7(11) . . . no
N1 H4 H1 166.5(13) . . . no
N1 H4 H1 87.2(13) . . . no
N1 H4 H1 87.2(13) . . . no
N1 H4 H2 88.8(13) . . . no
N1 H4 H2 96.9(9) . . . no
N1 H4 H2 88.8(13) . . . no
N1 H4 H2 96.9(9) . . . no
N1 H4 H3 112.0(26) . . . no
N1 H4 H5 69.2(18) . . . no
N1 H4 H6 49.6(10) . . . no
N1 H4 H6 49.6(10) . . . no
N2 H4 N2 96.9(7) . . . no
N2 H4 N2 96.9(7) . . . no
N2 H4 C1 21.5(3) . . . no
N2 H4 C1 176.4(11) . . . no
N2 H4 C1 86.7(7) . . . no
N2 H4 C1 86.7(7) . . . no
N2 H4 C2 15.3(5) . . . no
N2 H4 C2 116.9(6) . . . no
N2 H4 C2 116.9(6) . . . no
N2 H4 C3 19.2(17) . . . no
N2 H4 C4 58.1(11) . . . no
N2 H4 C5 92.1(12) . . . no
N2 H4 C6 47.1(7) . . . no
N2 H4 H1 12.4(8) . . . no
N2 H4 H1 150.2(11) . . . no
N2 H4 H1 90.7(14) . . . no
N2 H4 H1 90.7(14) . . . no
N2 H4 H2 46.8(9) . . . no
N2 H4 H2 122.4(10) . . . no
N2 H4 H2 46.8(9) . . . no
N2 H4 H2 122.4(10) . . . no
N2 H4 H3 68.7(23) . . . no
N2 H4 H5 112.5(21) . . . no
N2 H4 H6 91.7(14) . . . no
N2 H4 H6 91.7(14) . . . no
N2 H4 N2 152.6(12) 3_664 3_664 3_664 no
N2 H4 C1 100.8(7) 3_664 3_664 3_664 no
N2 H4 C1 83.8(7) 3_664 3_664 3_664 no
N2 H4 C1 20.38(13) 3_664 3_664 3_664 no
N2 H4 C1 138.6(10) 3_664 3_664 3_664 no
N2 H4 C2 93.6(7) 3_664 3_664 3_664 no
N2 H4 C2 20.1(1) 3_664 3_664 3_664 no
N2 H4 C2 140.3(12) 3_664 3_664 3_664 no
N2 H4 C3 100.4(8) 3_664 3_664 3_664 no
N2 H4 C4 103.7(6) 3_664 3_664 3_664 no
N2 H4 C5 101.5(6) 3_664 3_664 3_664 no
N2 H4 C6 86.1(6) 3_664 3_664 3_664 no
N2 H4 H1 94.2(7) 3_664 3_664 3_664 no
N2 H4 H1 78.1(7) 3_664 3_664 3_664 no
N2 H4 H1 17.8(9) 3_664 3_664 3_664 no
N2 H4 H1 169.6(18) 3_664 3_664 3_664 no
N2 H4 H2 98.8(9) 3_664 3_664 3_664 no
N2 H4 H2 44.7(5) 3_664 3_664 3_664 no
N2 H4 H2 74.2(7) 3_664 3_664 3_664 no
N2 H4 H2 137.9(14) 3_664 3_664 3_664 no
N2 H4 H3 81.6(7) 3_664 3_664 3_664 no
N2 H4 H5 98.2(7) 3_664 3_664 3_664 no
N2 H4 H6 113.7(9) 3_664 3_664 3_664 no
N2 H4 H6 89.4(7) 3_664 3_664 3_664 no
N2 H4 C1 100.8(7) 3_764 3_764 3_764 no
N2 H4 C1 83.8(7) 3_764 3_764 3_764 no
N2 H4 C1 138.6(10) 3_764 3_764 3_764 no
N2 H4 C1 20.38(13) 3_764 3_764 3_764 no
N2 H4 C2 93.6(7) 3_764 3_764 3_764 no
N2 H4 C2 140.3(12) 3_764 3_764 3_764 no
N2 H4 C2 20.1(1) 3_764 3_764 3_764 no
N2 H4 C3 100.4(8) 3_764 3_764 3_764 no
N2 H4 C4 103.7(6) 3_764 3_764 3_764 no
N2 H4 C5 101.5(6) 3_764 3_764 3_764 no
N2 H4 C6 86.1(6) 3_764 3_764 3_764 no
N2 H4 H1 94.2(7) 3_764 3_764 3_764 no
N2 H4 H1 78.1(7) 3_764 3_764 3_764 no
N2 H4 H1 169.6(18) 3_764 3_764 3_764 no
N2 H4 H1 17.8(9) 3_764 3_764 3_764 no
N2 H4 H2 74.2(7) 3_764 3_764 3_764 no
N2 H4 H2 137.9(14) 3_764 3_764 3_764 no
N2 H4 H2 98.8(9) 3_764 3_764 3_764 no
N2 H4 H2 44.7(5) 3_764 3_764 3_764 no
N2 H4 H3 81.6(7) 3_764 3_764 3_764 no
N2 H4 H5 98.2(7) 3_764 3_764 3_764 no
N2 H4 H6 89.4(7) 3_764 3_764 3_764 no
N2 H4 H6 113.7(9) 3_764 3_764 3_764 no
C1 H4 C1 154.9(10) . . . no
C1 H4 C1 97.2(7) . . . no
C1 H4 C1 97.2(7) . . . no
C1 H4 C2 36.7(7) . . . no
C1 H4 C2 118.4(6) . . . no
C1 H4 C2 118.4(6) . . . no
C1 H4 C3 2.3(17) . . . no
C1 H4 C4 36.6(8) . . . no
C1 H4 C5 70.7(9) . . . no
C1 H4 C6 68.5(9) . . . no
C1 H4 H1 33.8(9) . . . no
C1 H4 H1 171.7(11) . . . no
C1 H4 H1 88.9(14) . . . no
C1 H4 H1 88.9(14) . . . no
C1 H4 H2 67.5(10) . . . no
C1 H4 H2 110.8(10) . . . no
C1 H4 H2 67.5(10) . . . no
C1 H4 H2 110.8(10) . . . no
C1 H4 H3 90.2(24) . . . no
C1 H4 H5 91.1(19) . . . no
C1 H4 H6 70.8(12) . . . no
C1 H4 H6 70.8(12) . . . no
C1 H4 C1 95.1(7) 1_554 1_554 1_554 no
C1 H4 C1 95.1(7) 1_554 1_554 1_554 no
C1 H4 C2 168.4(15) 1_554 1_554 1_554 no
C1 H4 C2 63.8(6) 1_554 1_554 1_554 no
C1 H4 C2 63.8(6) 1_554 1_554 1_554 no
C1 H4 C3 157.2(27) 1_554 1_554 1_554 no
C1 H4 C4 118.3(14) 1_554 1_554 1_554 no
C1 H4 C5 84.2(10) 1_554 1_554 1_554 no
C1 H4 C6 136.6(13) 1_554 1_554 1_554 no
C1 H4 H1 171.3(11) 1_554 1_554 1_554 no
C1 H4 H1 33.4(9) 1_554 1_554 1_554 no
C1 H4 H1 89.0(14) 1_554 1_554 1_554 no
C1 H4 H1 89.0(14) 1_554 1_554 1_554 no
C1 H4 H2 136.7(12) 1_554 1_554 1_554 no
C1 H4 H2 56.0(9) 1_554 1_554 1_554 no
C1 H4 H2 136.7(12) 1_554 1_554 1_554 no
C1 H4 H2 56.0(9) 1_554 1_554 1_554 no
C1 H4 H3 114.9(24) 1_554 1_554 1_554 no
C1 H4 H5 63.8(17) 1_554 1_554 1_554 no
C1 H4 H6 84.7(13) 1_554 1_554 1_554 no
C1 H4 H6 84.7(13) 1_554 1_554 1_554 no
C1 H4 C1 120.6(9) 3_664 3_664 3_664 no
C1 H4 C2 79.3(7) 3_664 3_664 3_664 no
C1 H4 C2 35.9(2) 3_664 3_664 3_664 no
C1 H4 C2 135.9(11) 3_664 3_664 3_664 no
C1 H4 C3 96.1(14) 3_664 3_664 3_664 no
C1 H4 C4 112.7(8) 3_664 3_664 3_664 no
C1 H4 C5 119.6(5) 3_664 3_664 3_664 no
C1 H4 C6 66.4(5) 3_664 3_664 3_664 no
C1 H4 H1 80.7(6) 3_664 3_664 3_664 no
C1 H4 H1 78.8(6) 3_664 3_664 3_664 no
C1 H4 H1 34.6(9) 3_664 3_664 3_664 no
C1 H4 H1 155.2(15) 3_664 3_664 3_664 no
C1 H4 H2 79.0(8) 3_664 3_664 3_664 no
C1 H4 H2 64.8(5) 3_664 3_664 3_664 no
C1 H4 H2 55.1(6) 3_664 3_664 3_664 no
C1 H4 H2 150.9(15) 3_664 3_664 3_664 no
C1 H4 H3 61.4(5) 3_664 3_664 3_664 no
C1 H4 H5 118.5(6) 3_664 3_664 3_664 no
C1 H4 H6 131.8(8) 3_664 3_664 3_664 no
C1 H4 H6 107.3(7) 3_664 3_664 3_664 no
C1 H4 C2 79.3(7) 3_764 3_764 3_764 no
C1 H4 C2 135.9(11) 3_764 3_764 3_764 no
C1 H4 C2 35.9(2) 3_764 3_764 3_764 no
C1 H4 C3 96.1(14) 3_764 3_764 3_764 no
C1 H4 C4 112.7(8) 3_764 3_764 3_764 no
C1 H4 C5 119.6(5) 3_764 3_764 3_764 no
C1 H4 C6 66.4(5) 3_764 3_764 3_764 no
C1 H4 H1 80.7(6) 3_764 3_764 3_764 no
C1 H4 H1 78.8(6) 3_764 3_764 3_764 no
C1 H4 H1 155.2(15) 3_764 3_764 3_764 no
C1 H4 H1 34.6(9) 3_764 3_764 3_764 no
C1 H4 H2 55.1(6) 3_764 3_764 3_764 no
C1 H4 H2 150.9(15) 3_764 3_764 3_764 no
C1 H4 H2 79.0(8) 3_764 3_764 3_764 no
C1 H4 H2 64.8(5) 3_764 3_764 3_764 no
C1 H4 H3 61.4(5) 3_764 3_764 3_764 no
C1 H4 H5 118.5(6) 3_764 3_764 3_764 no
C1 H4 H6 107.3(7) 3_764 3_764 3_764 no
C1 H4 H6 131.8(8) 3_764 3_764 3_764 no
C2 H4 C2 113.4(6) . . . no
C2 H4 C2 113.4(6) . . . no
C2 H4 C3 34.4(17) . . . no
C2 H4 C4 73.3(15) . . . no
C2 H4 C5 107.4(17) . . . no
C2 H4 C6 31.8(6) . . . no
C2 H4 H1 2.9(10) . . . no
C2 H4 H1 134.9(13) . . . no
C2 H4 H1 91.9(14) . . . no
C2 H4 H1 92.0(14) . . . no
C2 H4 H2 32.5(9) . . . no
C2 H4 H2 128.3(10) . . . no
C2 H4 H2 32.5(9) . . . no
C2 H4 H2 128.3(10) . . . no
C2 H4 H3 53.4(22) . . . no
C2 H4 H5 127.8(24) . . . no
C2 H4 H6 106.6(17) . . . no
C2 H4 H6 106.6(17) . . . no
C2 H4 C2 123.2(11) 3_664 3_664 3_664 no
C2 H4 C3 118.4(6) 3_664 3_664 3_664 no
C2 H4 C4 111.4(6) 3_664 3_664 3_664 no
C2 H4 C5 97.5(7) 3_664 3_664 3_664 no
C2 H4 C6 101.5(6) 3_664 3_664 3_664 no
C2 H4 H1 114.2(6) 3_664 3_664 3_664 no
C2 H4 H1 62.2(6) 3_664 3_664 3_664 no
C2 H4 H1 29.6(11) 3_664 3_664 3_664 no
C2 H4 H1 152.0(18) 3_664 3_664 3_664 no
C2 H4 H2 113.6(9) 3_664 3_664 3_664 no
C2 H4 H2 32.6(5) 3_664 3_664 3_664 no
C2 H4 H2 90.8(7) 3_664 3_664 3_664 no
C2 H4 H2 118.2(13) 3_664 3_664 3_664 no
C2 H4 H3 91.5(11) 3_664 3_664 3_664 no
C2 H4 H5 87.9(10) 3_664 3_664 3_664 no
C2 H4 H6 108.6(11) 3_664 3_664 3_664 no
C2 H4 H6 86.8(8) 3_664 3_664 3_664 no
C2 H4 C3 118.4(6) 3_764 3_764 3_764 no
C2 H4 C4 111.4(6) 3_764 3_764 3_764 no
C2 H4 C5 97.5(7) 3_764 3_764 3_764 no
C2 H4 C6 101.5(6) 3_764 3_764 3_764 no
C2 H4 H1 114.2(6) 3_764 3_764 3_764 no
C2 H4 H1 62.2(6) 3_764 3_764 3_764 no
C2 H4 H1 152.0(18) 3_764 3_764 3_764 no
C2 H4 H1 29.6(11) 3_764 3_764 3_764 no
C2 H4 H2 90.8(7) 3_764 3_764 3_764 no
C2 H4 H2 118.2(13) 3_764 3_764 3_764 no
C2 H4 H2 113.6(9) 3_764 3_764 3_764 no
C2 H4 H2 32.6(5) 3_764 3_764 3_764 no
C2 H4 H3 91.5(11) 3_764 3_764 3_764 no
C2 H4 H5 87.9(10) 3_764 3_764 3_764 no
C2 H4 H6 86.8(8) 3_764 3_764 3_764 no
C2 H4 H6 108.5(11) 3_764 3_764 3_764 no
C3 H4 C4 38.9(16) . . . no
C3 H4 C5 73.0(22) . . . no
C3 H4 C6 66.2(22) . . . no
C3 H4 H1 31.5(22) . . . no
C3 H4 H1 169.4(27) . . . no
C3 H4 H1 89.1(14) . . . no
C3 H4 H1 89.1(14) . . . no
C3 H4 H2 65.2(23) . . . no
C3 H4 H2 112.2(16) . . . no
C3 H4 H2 65.2(23) . . . no
C3 H4 H2 112.2(16) . . . no
C3 H4 H3 87.9(34) . . . no
C3 H4 H5 93.4(30) . . . no
C3 H4 H6 73.0(23) . . . no
C3 H4 H6 73.0(23) . . . no
C4 H4 C5 34.1(6) . . . no
C4 H4 C6 105.1(18) . . . no
C4 H4 H1 70.5(15) . . . no
C4 H4 H1 151.7(17) . . . no
C4 H4 H1 86.3(13) . . . no
C4 H4 H1 86.3(13) . . . no
C4 H4 H2 103.2(18) . . . no
C4 H4 H2 87.2(10) . . . no
C4 H4 H2 103.2(18) . . . no
C4 H4 H2 87.2(10) . . . no
C4 H4 H3 126.8(30) . . . no
C4 H4 H5 54.5(18) . . . no
C4 H4 H6 35.6(10) . . . no
C4 H4 H6 35.6(10) . . . no
C5 H4 C6 139.2(17) . . . no
C5 H4 H1 104.5(14) . . . no
C5 H4 H1 117.6(15) . . . no
C5 H4 H1 85.1(12) . . . no
C5 H4 H1 85.1(12) . . . no
C5 H4 H2 136.1(17) . . . no
C5 H4 H2 65.7(8) . . . no
C5 H4 H2 136.1(17) . . . no
C5 H4 H2 65.7(8) . . . no
C5 H4 H3 160.9(29) . . . no
C5 H4 H5 20.4(15) . . . no
C5 H4 H6 12.3(6) . . . no
C5 H4 H6 12.3(6) . . . no
C6 H4 H1 34.7(9) . . . no
C6 H4 H1 103.1(11) . . . no
C6 H4 H1 94.0(12) . . . no
C6 H4 H1 94.0(12) . . . no
C6 H4 H2 12.8(5) . . . no
C6 H4 H2 130.7(7) . . . no
C6 H4 H2 12.8(5) . . . no
C6 H4 H2 130.7(7) . . . no
C6 H4 H3 21.6(20) . . . no
C6 H4 H5 159.6(24) . . . no
C6 H4 H6 137.4(18) . . . no
C6 H4 H6 137.4(18) . . . no
H1 H4 H1 137.8(13) . . . no
H1 H4 H1 91.7(14) . . . no
H1 H4 H1 91.7(14) . . . no
H1 H4 H2 35.1(10) . . . no
H1 H4 H2 127.4(10) . . . no
H1 H4 H2 35.1(10) . . . no
H1 H4 H2 127.4(10) . . . no
H1 H4 H3 56.3(22) . . . no
H1 H4 H5 124.9(22) . . . no
H1 H4 H6 103.8(16) . . . no
H1 H4 H6 103.8(16) . . . no
H1 H4 H1 91.8(14) 1_554 1_554 1_554 no
H1 H4 H1 91.8(14) 1_554 1_554 1_554 no
H1 H4 H2 104.4(11) 1_554 1_554 1_554 no
H1 H4 H2 74.3(11) 1_554 1_554 1_554 no
H1 H4 H2 104.4(11) 1_554 1_554 1_554 no
H1 H4 H2 74.3(11) 1_554 1_554 1_554 no
H1 H4 H3 81.5(23) 1_554 1_554 1_554 no
H1 H4 H5 97.3(20) 1_554 1_554 1_554 no
H1 H4 H6 117.3(16) 1_554 1_554 1_554 no
H1 H4 H6 117.3(16) 1_554 1_554 1_554 no
H1 H4 H1 170.2(23) 3_664 3_664 3_664 no
H1 H4 H2 106.6(15) 3_664 3_664 3_664 no
H1 H4 H2 38.3(11) 3_664 3_664 3_664 no
H1 H4 H2 81.3(12) 3_664 3_664 3_664 no
H1 H4 H2 134.9(18) 3_664 3_664 3_664 no
H1 H4 H3 94.8(12) 3_664 3_664 3_664 no
H1 H4 H5 85.3(12) 3_664 3_664 3_664 no
H1 H4 H6 97.4(14) 3_664 3_664 3_664 no
H1 H4 H6 72.9(12) 3_664 3_664 3_664 no
H1 H4 H2 81.3(12) 3_764 3_764 3_764 no
H1 H4 H2 134.9(18) 3_764 3_764 3_764 no
H1 H4 H2 106.6(15) 3_764 3_764 3_764 no
H1 H4 H2 38.3(11) 3_764 3_764 3_764 no
H1 H4 H3 94.8(12) 3_764 3_764 3_764 no
H1 H4 H5 85.3(12) 3_764 3_764 3_764 no
H1 H4 H6 72.9(12) 3_764 3_764 3_764 no
H1 H4 H6 97.4(14) 3_764 3_764 3_764 no
H2 H4 H2 143.4(11) . . . no
H2 H4 H2 25.3(11) . . . no
H2 H4 H2 118.4(5) . . . no
H2 H4 H3 26.3(19) . . . no
H2 H4 H5 154.7(21) . . . no
H2 H4 H6 130.7(17) . . . no
H2 H4 H6 138.2(18) . . . no
H2 H4 H2 118.4(5) 4_464 4_464 4_464 no
H2 H4 H2 96.8(15) 4_464 4_464 4_464 no
H2 H4 H3 124.0(12) 4_464 4_464 4_464 no
H2 H4 H5 55.4(9) 4_464 4_464 4_464 no
H2 H4 H6 76.1(11) 4_464 4_464 4_464 no
H2 H4 H6 56.1(10) 4_464 4_464 4_464 no
H2 H4 H2 143.4(11) 2_755 2_755 2_755 no
H2 H4 H3 26.3(19) 2_755 2_755 2_755 no
H2 H4 H5 154.7(21) 2_755 2_755 2_755 no
H2 H4 H6 138.2(18) 2_755 2_755 2_755 no
H2 H4 H6 130.7(17) 2_755 2_755 2_755 no
H2 H4 H3 124.0(12) 3_764 3_764 3_764 no
H2 H4 H5 55.4(9) 3_764 3_764 3_764 no
H2 H4 H6 56.1(10) 3_764 3_764 3_764 no
H2 H4 H6 76.1(11) 3_764 3_764 3_764 no
H3 H4 H5 178.8(30) . . . no
H3 H4 H6 157.1(26) . . . no
H3 H4 H6 157.1(26) . . . no
H5 H4 H6 24.0(16) . . . no
H5 H4 H6 24.0(16) . . . no
H6 H4 H6 24.6(12) . . . no
O1 H5 N1 140.1(19) 1_554 1_554 1_554 no
O1 H5 C1 6.2(5) 1_554 1_554 1_554 no
O1 H5 C2 96.7(14) 1_554 1_554 1_554 no
O1 H5 C3 93.3(17) 1_554 1_554 1_554 no
O1 H5 C4 125.7(22) 1_554 1_554 1_554 no
O1 H5 C5 168.7(43) 1_554 1_554 1_554 no
O1 H5 C6 60.8(8) 1_554 1_554 1_554 no
O1 H5 C6 60.8(8) 1_554 1_554 1_554 no
O1 H5 C7 162.6(20) 1_554 1_554 1_554 no
O1 H5 C7 44.6(11) 1_554 1_554 1_554 no
O1 H5 C8 56.6(12) 1_554 1_554 1_554 no
O1 H5 C8 56.6(12) 1_554 1_554 1_554 no
O1 H5 H1 82.1(13) 1_554 1_554 1_554 no
O1 H5 H1 82.1(13) 1_554 1_554 1_554 no
O1 H5 H2 64.3(13) 1_554 1_554 1_554 no
O1 H5 H2 64.3(13) 1_554 1_554 1_554 no
O1 H5 H4 72.7(18) 1_554 1_554 1_554 no
O1 H5 H6 149.6(23) 1_554 1_554 1_554 no
O1 H5 H6 149.6(23) 1_554 1_554 1_554 no
O1 H5 H8 132.7(19) 1_554 1_554 1_554 no
O1 H5 H8 132.7(19) 1_554 1_554 1_554 no
N1 H5 C1 146.3(16) . . . no
N1 H5 C2 43.4(7) . . . no
N1 H5 C3 46.8(10) . . . no
N1 H5 C4 14.4(7) . . . no
N1 H5 C5 28.6(24) . . . no
N1 H5 C6 110.3(9) . . . no
N1 H5 C6 110.3(9) . . . no
N1 H5 C7 22.5(4) . . . no
N1 H5 C7 175.3(16) . . . no
N1 H5 C8 157.0(10) . . . no
N1 H5 C8 157.0(10) . . . no
N1 H5 H1 77.5(13) . . . no
N1 H5 H1 77.5(13) . . . no
N1 H5 H2 109.7(14) . . . no
N1 H5 H2 109.7(14) . . . no
N1 H5 H4 67.4(17) . . . no
N1 H5 H6 56.8(26) . . . no
N1 H5 H6 56.7(26) . . . no
N1 H5 H8 83.3(13) . . . no
N1 H5 H8 83.3(13) . . . no
C1 H5 C2 102.9(12) 1_554 1_554 1_554 no
C1 H5 C3 99.5(15) 1_554 1_554 1_554 no
C1 H5 C4 131.9(20) 1_554 1_554 1_554 no
C1 H5 C5 174.9(39) 1_554 1_554 1_554 no
C1 H5 C6 61.3(8) 1_554 1_554 1_554 no
C1 H5 C6 61.3(8) 1_554 1_554 1_554 no
C1 H5 C7 168.8(15) 1_554 1_554 1_554 no
C1 H5 C7 38.4(6) 1_554 1_554 1_554 no
C1 H5 C8 50.8(8) 1_554 1_554 1_554 no
C1 H5 C8 50.8(8) 1_554 1_554 1_554 no
C1 H5 H1 85.3(13) 1_554 1_554 1_554 no
C1 H5 H1 85.3(13) 1_554 1_554 1_554 no
C1 H5 H2 64.5(13) 1_554 1_554 1_554 no
C1 H5 H2 64.4(13) 1_554 1_554 1_554 no
C1 H5 H4 78.9(18) 1_554 1_554 1_554 no
C1 H5 H6 147.0(24) 1_554 1_554 1_554 no
C1 H5 H6 147.0(24) 1_554 1_554 1_554 no
C1 H5 H8 127.3(16) 1_554 1_554 1_554 no
C1 H5 H8 127.3(16) 1_554 1_554 1_554 no
C2 H5 C3 3.4(5) . . . no
C2 H5 C4 29.0(8) . . . no
C2 H5 C5 71.9(31) . . . no
C2 H5 C6 90.9(8) . . . no
C2 H5 C6 90.9(8) . . . no
C2 H5 C7 65.9(10) . . . no
C2 H5 C7 141.3(15) . . . no
C2 H5 C8 146.7(12) . . . no
C2 H5 C8 146.7(12) . . . no
C2 H5 H1 61.1(9) . . . no
C2 H5 H1 61.2(9) . . . no
C2 H5 H2 93.3(12) . . . no
C2 H5 H2 93.3(12) . . . no
C2 H5 H4 24.0(13) . . . no
C2 H5 H6 94.3(29) . . . no
C2 H5 H6 94.3(29) . . . no
C2 H5 H8 123.0(15) . . . no
C2 H5 H8 123.0(15) . . . no
C3 H5 C4 32.4(8) . . . no
C3 H5 C5 75.4(33) . . . no
C3 H5 C6 89.2(9) . . . no
C3 H5 C6 89.2(9) . . . no
C3 H5 C7 69.3(14) . . . no
C3 H5 C7 137.9(19) . . . no
C3 H5 C8 143.8(16) . . . no
C3 H5 C8 143.8(16) . . . no
C3 H5 H1 60.4(9) . . . no
C3 H5 H1 60.4(9) . . . no
C3 H5 H2 91.8(12) . . . no
C3 H5 H2 91.8(12) . . . no
C3 H5 H4 20.5(11) . . . no
C3 H5 H6 97.3(31) . . . no
C3 H5 H6 97.3(31) . . . no
C3 H5 H8 126.1(19) . . . no
C3 H5 H8 126.1(19) . . . no
C4 H5 C5 43.0(25) . . . no
C4 H5 C6 104.5(10) . . . no
C4 H5 C6 104.5(10) . . . no
C4 H5 C7 36.9(11) . . . no
C4 H5 C7 170.3(22) . . . no
C4 H5 C8 162.2(3) . . . no
C4 H5 C8 162.2(3) . . . no
C4 H5 H1 70.9(12) . . . no
C4 H5 H1 70.9(12) . . . no
C4 H5 H2 105.0(14) . . . no
C4 H5 H2 105.0(14) . . . no
C4 H5 H4 52.9(16) . . . no
C4 H5 H6 69.0(29) . . . no
C4 H5 H6 68.9(29) . . . no
C4 H5 H8 96.6(18) . . . no
C4 H5 H8 96.6(18) . . . no
C5 H5 C6 118.0(10) . . . no
C5 H5 C6 118.0(10) . . . no
C5 H5 C7 6.1(23) . . . no
C5 H5 C7 146.7(36) . . . no
C5 H5 C8 133.8(32) . . . no
C5 H5 C8 133.8(32) . . . no
C5 H5 H1 92.1(21) . . . no
C5 H5 H1 92.1(21) . . . no
C5 H5 H2 115.2(14) . . . no
C5 H5 H2 115.2(14) . . . no
C5 H5 H4 95.9(38) . . . no
C5 H5 H6 35.8(22) . . . no
C5 H5 H6 35.8(22) . . . no
C5 H5 H8 57.3(25) . . . no
C5 H5 H8 57.3(25) . . . no
C6 H5 C6 121.4(15) 3_664 3_664 3_664 no
C6 H5 C7 116.9(9) 3_664 3_664 3_664 no
C6 H5 C7 71.5(9) 3_664 3_664 3_664 no
C6 H5 C8 91.7(12) 3_664 3_664 3_664 no
C6 H5 C8 59.8(7) 3_664 3_664 3_664 no
C6 H5 H1 33.7(9) 3_664 3_664 3_664 no
C6 H5 H1 131.1(15) 3_664 3_664 3_664 no
C6 H5 H2 4.5(6) 3_664 3_664 3_664 no
C6 H5 H2 125.1(19) 3_664 3_664 3_664 no
C6 H5 H4 79.4(10) 3_664 3_664 3_664 no
C6 H5 H6 147.3(21) 3_664 3_664 3_664 no
C6 H5 H6 90.8(14) 3_664 3_664 3_664 no
C6 H5 H8 91.4(8) 3_664 3_664 3_664 no
C6 H5 H8 133.6(13) 3_664 3_664 3_664 no
C6 H5 C7 116.9(9) 3_764 3_764 3_764 no
C6 H5 C7 71.4(9) 3_764 3_764 3_764 no
C6 H5 C8 59.8(7) 3_764 3_764 3_764 no
C6 H5 C8 91.7(12) 3_764 3_764 3_764 no
C6 H5 H1 131.1(15) 3_764 3_764 3_764 no
C6 H5 H1 33.7(9) 3_764 3_764 3_764 no
C6 H5 H2 125.1(19) 3_764 3_764 3_764 no
C6 H5 H2 4.5(6) 3_764 3_764 3_764 no
C6 H5 H4 79.4(10) 3_764 3_764 3_764 no
C6 H5 H6 90.8(14) 3_764 3_764 3_764 no
C6 H5 H6 147.3(21) 3_764 3_764 3_764 no
C6 H5 H8 133.6(13) 3_764 3_764 3_764 no
C6 H5 H8 91.4(8) 3_764 3_764 3_764 no
C7 H5 C7 152.8(14) . . . no
C7 H5 C8 139.3(12) . . . no
C7 H5 C8 139.3(12) . . . no
C7 H5 H1 88.9(14) . . . no
C7 H5 H1 88.9(14) . . . no
C7 H5 H2 114.5(14) . . . no
C7 H5 H2 114.5(14) . . . no
C7 H5 H4 89.8(20) . . . no
C7 H5 H6 39.6(23) . . . no
C7 H5 H6 39.6(23) . . . no
C7 H5 H8 62.7(11) . . . no
C7 H5 H8 62.7(11) . . . no
C7 H5 C8 20.4(3) 1_554 1_554 1_554 no
C7 H5 C8 20.4(3) 1_554 1_554 1_554 no
C7 H5 H1 104.8(14) 1_554 1_554 1_554 no
C7 H5 H1 104.8(14) 1_554 1_554 1_554 no
C7 H5 H2 71.7(14) 1_554 1_554 1_554 no
C7 H5 H2 71.7(14) 1_554 1_554 1_554 no
C7 H5 H4 117.3(22) 1_554 1_554 1_554 no
C7 H5 H6 119.3(28) 1_554 1_554 1_554 no
C7 H5 H6 119.3(28) 1_554 1_554 1_554 no
C7 H5 H8 92.4(13) 1_554 1_554 1_554 no
C7 H5 H8 92.4(13) 1_554 1_554 1_554 no
C8 H5 C8 35.6(5) 1_554 1_554 1_554 no
C8 H5 H1 125.1(16) 1_554 1_554 1_554 no
C8 H5 H1 93.1(11) 1_554 1_554 1_554 no
C8 H5 H2 91.8(16) 1_554 1_554 1_554 no
C8 H5 H2 58.7(12) 1_554 1_554 1_554 no
C8 H5 H4 125.3(21) 1_554 1_554 1_554 no
C8 H5 H6 101.1(25) 1_554 1_554 1_554 no
C8 H5 H6 118.9(28) 1_554 1_554 1_554 no
C8 H5 H8 90.1(13) 1_554 1_554 1_554 no
C8 H5 H8 76.6(12) 1_554 1_554 1_554 no
C8 H5 H1 93.1(11) 2_754 2_754 2_754 no
C8 H5 H1 125.1(16) 2_754 2_754 2_754 no
C8 H5 H2 58.7(12) 2_754 2_754 2_754 no
C8 H5 H2 91.8(16) 2_754 2_754 2_754 no
C8 H5 H4 125.3(21) 2_754 2_754 2_754 no
C8 H5 H6 118.9(28) 2_754 2_754 2_754 no
C8 H5 H6 101.1(25) 2_754 2_754 2_754 no
C8 H5 H8 76.6(12) 2_754 2_754 2_754 no
C8 H5 H8 90.1(13) 2_754 2_754 2_754 no
H1 H5 H1 117.3(17) 3_664 3_664 3_664 no
H1 H5 H2 34.4(12) 3_664 3_664 3_664 no
H1 H5 H2 135.6(18) 3_664 3_664 3_664 no
H1 H5 H4 58.7(8) 3_664 3_664 3_664 no
H1 H5 H6 127.7(32) 3_664 3_664 3_664 no
H1 H5 H6 78.6(17) 3_664 3_664 3_664 no
H1 H5 H8 94.7(10) 3_664 3_664 3_664 no
H1 H5 H8 137.3(16) 3_664 3_664 3_664 no
H1 H5 H2 135.6(18) 3_764 3_764 3_764 no
H1 H5 H2 34.4(12) 3_764 3_764 3_764 no
H1 H5 H4 58.7(8) 3_764 3_764 3_764 no
H1 H5 H6 78.6(17) 3_764 3_764 3_764 no
H1 H5 H6 127.7(32) 3_764 3_764 3_764 no
H1 H5 H8 137.3(16) 3_764 3_764 3_764 no
H1 H5 H8 94.7(10) 3_764 3_764 3_764 no
H2 H5 H2 128.7(25) 4_464 4_464 4_464 no
H2 H5 H4 83.0(13) 4_464 4_464 4_464 no
H2 H5 H6 143.1(24) 4_464 4_464 4_464 no
H2 H5 H6 86.8(15) 4_464 4_464 4_464 no
H2 H5 H8 86.8(11) 4_464 4_464 4_464 no
H2 H5 H8 129.3(15) 4_464 4_464 4_464 no
H2 H5 H4 83.0(13) 3_764 3_764 3_764 no
H2 H5 H6 86.8(15) 3_764 3_764 3_764 no
H2 H5 H6 143.1(24) 3_764 3_764 3_764 no
H2 H5 H8 129.3(15) 3_764 3_764 3_764 no
H2 H5 H8 86.8(11) 3_764 3_764 3_764 no
H4 H5 H6 115.1(33) . . . no
H4 H5 H6 115.1(33) . . . no
H4 H5 H8 143.3(20) . . . no
H4 H5 H8 143.3(20) . . . no
H6 H5 H6 56.6(34) . . . no
H6 H5 H8 59.0(20) . . . no
H6 H5 H8 28.8(21) . . . no
H6 H5 H8 28.8(21) 2_755 2_755 2_755 no
H6 H5 H8 59.0(20) 2_755 2_755 2_755 no
H8 H5 H8 44.9(15) 4_454 4_454 4_454 no
Cl1 H6 O1 99.4(8) . . . no
Cl1 H6 N1 71.1(9) . . . no
Cl1 H6 C3 70.3(7) . . . no
Cl1 H6 C4 74.1(10) . . . no
Cl1 H6 C5 110.8(23) . . . no
Cl1 H6 C7 82.1(11) . . . no
Cl1 H6 C8 68.0(9) . . . no
Cl1 H6 C8 102.9(13) . . . no
Cl1 H6 C9 80.3(9) . . . no
Cl1 H6 C9 93.6(9) . . . no
Cl1 H6 C10 70.9(7) . . . no
Cl1 H6 H1 30.4(9) . . . no
Cl1 H6 H2 60.6(9) . . . no
Cl1 H6 H4 75.5(8) . . . no
Cl1 H6 H5 108.9(18) . . . no
Cl1 H6 H6 143.6(6) . . . no
Cl1 H6 H7 48.9(7) . . . no
Cl1 H6 H7 110.1(13) . . . no
Cl1 H6 H8 153.0(16) . . . no
Cl1 H6 H8 103.3(15) . . . no
Cl1 H6 H9 56.6(10) . . . no
O1 H6 N1 108.9(9) 1_554 1_554 1_554 no
O1 H6 C3 62.8(6) 1_554 1_554 1_554 no
O1 H6 C4 79.8(11) 1_554 1_554 1_554 no
O1 H6 C5 54.6(27) 1_554 1_554 1_554 no
O1 H6 C7 137.0(10) 1_554 1_554 1_554 no
O1 H6 C8 157.1(11) 1_554 1_554 1_554 no
O1 H6 C8 131.4(9) 1_554 1_554 1_554 no
O1 H6 C9 173.0(11) 1_554 1_554 1_554 no
O1 H6 C9 121.9(14) 1_554 1_554 1_554 no
O1 H6 C10 119.9(12) 1_554 1_554 1_554 no
O1 H6 H1 69.1(9) 1_554 1_554 1_554 no
O1 H6 H2 48.4(9) 1_554 1_554 1_554 no
O1 H6 H4 46.8(10) 1_554 1_554 1_554 no
O1 H6 H5 18.7(17) 1_554 1_554 1_554 no
O1 H6 H6 79.1(5) 1_554 1_554 1_554 no
O1 H6 H7 145.6(11) 1_554 1_554 1_554 no
O1 H6 H7 116.5(10) 1_554 1_554 1_554 no
O1 H6 H8 107.4(14) 1_554 1_554 1_554 no
O1 H6 H8 126.5(19) 1_554 1_554 1_554 no
O1 H6 H9 116.0(16) 1_554 1_554 1_554 no
N1 H6 C3 47.4(5) . . . no
N1 H6 C4 29.1(7) . . . no
N1 H6 C5 64.0(26) . . . no
N1 H6 C7 30.8(5) . . . no
N1 H6 C8 49.7(8) . . . no
N1 H6 C8 43.1(7) . . . no
N1 H6 C9 64.3(10) . . . no
N1 H6 C9 128.7(16) . . . no
N1 H6 C10 121.4(15) . . . no
N1 H6 H1 83.6(11) . . . no
N1 H6 H2 116.3(11) . . . no
N1 H6 H4 63.3(10) . . . no
N1 H6 H5 96.2(25) . . . no
N1 H6 H6 75.1(8) . . . no
N1 H6 H7 53.8(10) . . . no
N1 H6 H7 42.1(7) . . . no
N1 H6 H8 102.3(15) . . . no
N1 H6 H8 124.1(20) . . . no
N1 H6 H9 114.2(19) . . . no
C3 H6 C4 19.4(4) . . . no
C3 H6 C5 40.5(17) . . . no
C3 H6 C7 78.0(10) . . . no
C3 H6 C8 94.5(12) . . . no
C3 H6 C8 85.2(10) . . . no
C3 H6 C9 110.8(13) . . . no
C3 H6 C9 163.9(13) . . . no
C3 H6 C10 140.8(11) . . . no
C3 H6 H1 58.1(7) . . . no
C3 H6 H2 77.6(8) . . . no
C3 H6 H4 16.1(8) . . . no
C3 H6 H5 54.9(22) . . . no
C3 H6 H6 77.1(6) . . . no
C3 H6 H7 90.1(12) . . . no
C3 H6 H7 76.2(9) . . . no
C3 H6 H8 125.2(13) . . . no
C3 H6 H8 170.2(22) . . . no
C3 H6 H9 126.3(14) . . . no
C4 H6 C5 42.1(18) . . . no
C4 H6 C7 59.1(12) . . . no
C4 H6 C8 78.3(15) . . . no
C4 H6 C8 66.0(12) . . . no
C4 H6 C9 93.4(16) . . . no
C4 H6 C9 157.0(22) . . . no
C4 H6 C10 142.0(18) . . . no
C4 H6 H1 71.3(10) . . . no
C4 H6 H2 95.9(12) . . . no
C4 H6 H4 34.7(9) . . . no
C4 H6 H5 68.4(23) . . . no
C4 H6 H6 69.9(10) . . . no
C4 H6 H7 78.4(16) . . . no
C4 H6 H7 58.1(11) . . . no
C4 H6 H8 113.3(16) . . . no
C4 H6 H8 153.1(25) . . . no
C4 H6 H9 129.5(20) . . . no
C5 H6 C7 84.5(30) . . . no
C5 H6 C8 110.5(35) . . . no
C5 H6 C8 77.2(28) . . . no
C5 H6 C9 118.9(34) . . . no
C5 H6 C9 155.5(28) . . . no
C5 H6 C10 174.2(40) . . . no
C5 H6 H1 93.7(20) . . . no
C5 H6 H2 96.4(27) . . . no
C5 H6 H4 38.3(15) . . . no
C5 H6 H5 36.6(24) . . . no
C5 H6 H6 39.4(20) . . . no
C5 H6 H7 117.8(35) . . . no
C5 H6 H7 62.6(26) . . . no
C5 H6 H8 87.9(22) . . . no
C5 H6 H8 145.2(29) . . . no
C5 H6 H9 164.9(27) . . . no
C7 H6 C8 26.7(5) . . . no
C7 H6 C8 20.7(3) . . . no
C7 H6 C9 36.0(5) . . . no
C7 H6 C9 100.6(12) . . . no
C7 H6 C10 101.4(12) . . . no
C7 H6 H1 105.5(14) . . . no
C7 H6 H2 140.6(15) . . . no
C7 H6 H4 93.8(12) . . . no
C7 H6 H5 120.7(26) . . . no
C7 H6 H6 75.5(7) . . . no
C7 H6 H7 41.7(9) . . . no
C7 H6 H7 31.1(6) . . . no
C7 H6 H8 80.5(13) . . . no
C7 H6 H8 94.0(17) . . . no
C7 H6 H9 100.7(18) . . . no
C8 H6 C8 41.8(6) . . . no
C8 H6 C9 17.4(2) . . . no
C8 H6 C9 79.1(9) . . . no
C8 H6 C10 75.3(8) . . . no
C8 H6 H1 97.3(13) . . . no
C8 H6 H2 127.7(15) . . . no
C8 H6 H4 110.4(15) . . . no
C8 H6 H5 145.7(29) . . . no
C8 H6 H6 99.6(6) . . . no
C8 H6 H7 19.5(6) . . . no
C8 H6 H7 55.7(8) . . . no
C8 H6 H8 87.6(13) . . . no
C8 H6 H8 76.0(15) . . . no
C8 H6 H9 74.0(15) . . . no
C8 H6 C9 42.6(5) 2_755 2_755 2_755 no
C8 H6 C9 99.1(10) 2_755 2_755 2_755 no
C8 H6 C10 108.1(11) 2_755 2_755 2_755 no
C8 H6 H1 124.8(14) 2_755 2_755 2_755 no
C8 H6 H2 159.3(14) 2_755 2_755 2_755 no
C8 H6 H4 98.9(11) 2_755 2_755 2_755 no
C8 H6 H5 112.8(22) 2_755 2_755 2_755 no
C8 H6 H6 57.8(6) 2_755 2_755 2_755 no
C8 H6 H7 60.0(10) 2_755 2_755 2_755 no
C8 H6 H7 15.0(4) 2_755 2_755 2_755 no
C8 H6 H8 61.2(11) 2_755 2_755 2_755 no
C8 H6 H8 89.2(16) 2_755 2_755 2_755 no
C8 H6 H9 112.3(17) 2_755 2_755 2_755 no
C9 H6 C9 65.0(7) . . . no
C9 H6 C10 66.7(7) . . . no
C9 H6 H1 110.6(13) . . . no
C9 H6 H2 135.1(14) . . . no
C9 H6 H4 126.9(15) . . . no
C9 H6 H5 155.3(26) . . . no
C9 H6 H6 97.0(5) . . . no
C9 H6 H7 32.2(6) . . . no
C9 H6 H7 57.6(7) . . . no
C9 H6 H8 73.5(12) . . . no
C9 H6 H8 60.0(14) . . . no
C9 H6 H9 69.7(13) . . . no
C9 H6 C10 23.2(2) 3_754 3_754 3_754 no
C9 H6 H1 107.7(10) 3_754 3_754 3_754 no
C9 H6 H2 94.6(12) 3_754 3_754 3_754 no
C9 H6 H4 160.7(14) 3_754 3_754 3_754 no
C9 H6 H5 134.6(32) 3_754 3_754 3_754 no
C9 H6 H6 118.3(6) 3_754 3_754 3_754 no
C9 H6 H7 79.0(9) 3_754 3_754 3_754 no
C9 H6 H7 110.9(11) 3_754 3_754 3_754 no
C9 H6 H8 69.7(10) 3_754 3_754 3_754 no
C9 H6 H8 12.5(10) 3_754 3_754 3_754 no
C9 H6 H9 37.8(8) 3_754 3_754 3_754 no
C10 H6 H1 85.3(9) 3_754 3_754 3_754 no
C10 H6 H2 79.5(11) 3_754 3_754 3_754 no
C10 H6 H4 140.5(11) 3_754 3_754 3_754 no
C10 H6 H5 137.7(29) 3_754 3_754 3_754 no
C10 H6 H6 141.3(5) 3_754 3_754 3_754 no
C10 H6 H7 67.7(8) 3_754 3_754 3_754 no
C10 H6 H7 122.5(12) 3_754 3_754 3_754 no
C10 H6 H8 92.6(10) 3_754 3_754 3_754 no
C10 H6 H8 34.8(11) 3_754 3_754 3_754 no
C10 H6 H9 14.6(7) 3_754 3_754 3_754 no
H1 H6 H2 35.1(11) 3_764 3_764 3_764 no
H1 H6 H4 55.4(6) 3_764 3_764 3_764 no
H1 H6 H5 80.2(16) 3_764 3_764 3_764 no
H1 H6 H6 133.1(7) 3_764 3_764 3_764 no
H1 H6 H7 78.8(12) 3_764 3_764 3_764 no
H1 H6 H7 125.5(13) 3_764 3_764 3_764 no
H1 H6 H8 174.0(18) 3_764 3_764 3_764 no
H1 H6 H8 119.9(16) 3_764 3_764 3_764 no
H1 H6 H9 71.3(10) 3_764 3_764 3_764 no
H2 H6 H4 66.2(10) 3_764 3_764 3_764 no
H2 H6 H5 66.0(18) 3_764 3_764 3_764 no
H2 H6 H6 127.4(10) 3_764 3_764 3_764 no
H2 H6 H7 108.2(14) 3_764 3_764 3_764 no
H2 H6 H7 153.8(12) 3_764 3_764 3_764 no
H2 H6 H8 138.9(18) 3_764 3_764 3_764 no
H2 H6 H8 106.1(18) 3_764 3_764 3_764 no
H2 H6 H9 70.6(13) 3_764 3_764 3_764 no
H4 H6 H5 40.9(21) . . . no
H4 H6 H6 77.7(6) . . . no
H4 H6 H7 104.2(14) . . . no
H4 H6 H7 88.0(10) . . . no
H4 H6 H8 126.1(13) . . . no
H4 H6 H8 171.9(22) . . . no
H4 H6 H9 126.7(13) . . . no
H5 H6 H6 61.7(17) . . . no
H5 H6 H7 144.9(28) . . . no
H5 H6 H7 97.9(22) . . . no
H5 H6 H8 97.8(22) . . . no
H5 H6 H8 134.9(35) . . . no
H5 H6 H9 134.7(29) . . . no
H6 H6 H7 117.1(8) 2_755 2_755 2_755 no
H6 H6 H7 44.6(8) 2_755 2_755 2_755 no
H6 H6 H8 48.8(9) 2_755 2_755 2_755 no
H6 H6 H8 106.5(12) 2_755 2_755 2_755 no
H6 H6 H9 155.5(9) 2_755 2_755 2_755 no
H7 H6 H7 72.6(13) . . . no
H7 H6 H8 105.6(15) . . . no
H7 H6 H8 80.2(16) . . . no
H7 H6 H9 62.0(14) . . . no
H7 H6 H8 60.3(12) 2_755 2_755 2_755 no
H7 H6 H8 99.8(16) 2_755 2_755 2_755 no
H7 H6 H9 127.3(18) 2_755 2_755 2_755 no
H8 H6 H8 57.8(18) 4_454 4_454 4_454 no
H8 H6 H9 106.9(13) 4_454 4_454 4_454 no
H8 H6 H9 49.2(14) 3_754 3_754 3_754 no
Cl1 H7 O1 99.0(6) . . . no
Cl1 H7 N1 84.0(8) . . . no
Cl1 H7 C1 84.2(6) . . . no
Cl1 H7 C4 68.0(6) . . . no
Cl1 H7 C5 72.1(7) . . . no
Cl1 H7 C6 75.9(6) . . . no
Cl1 H7 C7 115.1(12) . . . no
Cl1 H7 C8 145.8(24) . . . no
Cl1 H7 C8 127.1(10) . . . no
Cl1 H7 C8 69.2(6) . . . no
Cl1 H7 C9 160.8(14) . . . no
Cl1 H7 C9 145.8(11) . . . no
Cl1 H7 C10 159.2(13) . . . no
Cl1 H7 C10 75.3(7) . . . no
Cl1 H7 H2 80.9(8) . . . no
Cl1 H7 H2 93.0(8) . . . no
Cl1 H7 H3 60.8(19) . . . no
Cl1 H7 H6 70.7(10) . . . no
Cl1 H7 H6 84.8(10) . . . no
Cl1 H7 H7 61.2(6) . . . no
Cl1 H7 H8 147.6(17) . . . no
Cl1 H7 H8 92.9(13) . . . no
Cl1 H7 H8 100.9(12) . . . no
Cl1 H7 H9 62.2(9) . . . no
O1 H7 N1 41.4(4) . . . no
O1 H7 C1 20.5(2) . . . no
O1 H7 C4 62.4(5) . . . no
O1 H7 C5 83.9(6) . . . no
O1 H7 C6 61.3(5) . . . no
O1 H7 C7 50.9(6) . . . no
O1 H7 C8 71.6(14) . . . no
O1 H7 C8 57.7(5) . . . no
O1 H7 C8 131.6(9) . . . no
O1 H7 C9 97.0(10) . . . no
O1 H7 C9 72.0(5) . . . no
O1 H7 C10 87.6(7) . . . no
O1 H7 C10 157.6(11) . . . no
O1 H7 H2 74.2(7) . . . no
O1 H7 H2 51.0(7) . . . no
O1 H7 H3 68.0(10) . . . no
O1 H7 H6 96.6(10) . . . no
O1 H7 H6 82.9(9) . . . no
O1 H7 H7 127.4(5) . . . no
O1 H7 H8 112.6(16) . . . no
O1 H7 H8 129.6(12) . . . no
O1 H7 H8 136.8(14) . . . no
O1 H7 H9 150.6(13) . . . no
N1 H7 C1 24.3(2) . . . no
N1 H7 C4 22.5(3) . . . no
N1 H7 C5 42.5(5) . . . no
N1 H7 C6 94.3(7) . . . no
N1 H7 C7 33.3(4) . . . no
N1 H7 C8 67.1(14) . . . no
N1 H7 C8 46.1(5) . . . no
N1 H7 C8 151.4(9) . . . no
N1 H7 C9 101.3(11) . . . no
N1 H7 C9 67.4(6) . . . no
N1 H7 C10 88.2(8) . . . no
N1 H7 C10 116.2(11) . . . no
N1 H7 H2 109.5(8) . . . no
N1 H7 H2 90.0(9) . . . no
N1 H7 H3 93.3(9) . . . no
N1 H7 H6 55.2(9) . . . no
N1 H7 H6 43.0(8) . . . no
N1 H7 H7 142.9(5) . . . no
N1 H7 H8 124.5(14) . . . no
N1 H7 H8 92.5(12) . . . no
N1 H7 H8 175.2(13) . . . no
N1 H7 H9 110.8(13) . . . no
C1 H7 C4 42.7(3) . . . no
C1 H7 C5 65.7(5) . . . no
C1 H7 C6 70.7(5) . . . no
C1 H7 C7 47.1(5) . . . no
C1 H7 C8 76.8(14) . . . no
C1 H7 C8 57.9(5) . . . no
C1 H7 C8 136.9(8) . . . no
C1 H7 C9 108.2(10) . . . no
C1 H7 C9 77.1(6) . . . no
C1 H7 C10 96.5(7) . . . no
C1 H7 C10 138.5(11) . . . no
C1 H7 H2 85.7(7) . . . no
C1 H7 H2 65.7(8) . . . no
C1 H7 H3 72.1(7) . . . no
C1 H7 H6 78.3(9) . . . no
C1 H7 H6 67.3(8) . . . no
C1 H7 H7 129.9(5) . . . no
C1 H7 H8 128.1(16) . . . no
C1 H7 H8 116.8(12) . . . no
C1 H7 H8 155.4(15) . . . no
C1 H7 H9 130.1(13) . . . no
C4 H7 C5 24.1(2) . . . no
C4 H7 C6 104.6(6) . . . no
C4 H7 C7 47.2(6) . . . no
C4 H7 C8 78.8(17) . . . no
C4 H7 C8 59.1(5) . . . no
C4 H7 C8 136.8(9) . . . no
C4 H7 C9 110.9(11) . . . no
C4 H7 C9 78.9(6) . . . no
C4 H7 C10 98.4(8) . . . no
C4 H7 C10 95.8(9) . . . no
C4 H7 H2 119.8(7) . . . no
C4 H7 H2 106.1(8) . . . no
C4 H7 H3 98.2(13) . . . no
C4 H7 H6 36.2(7) . . . no
C4 H7 H6 30.8(5) . . . no
C4 H7 H7 129.1(5) . . . no
C4 H7 H8 132.8(14) . . . no
C4 H7 H8 77.9(11) . . . no
C4 H7 H8 160.6(15) . . . no
C4 H7 H9 88.8(11) . . . no
C5 H7 C6 127.5(7) . . . no
C5 H7 C7 51.8(7) . . . no
C5 H7 C8 74.2(18) . . . no
C5 H7 C8 59.7(5) . . . no
C5 H7 C8 130.3(9) . . . no
C5 H7 C9 99.2(10) . . . no
C5 H7 C9 74.1(6) . . . no
C5 H7 C10 89.1(7) . . . no
C5 H7 C10 73.7(7) . . . no
C5 H7 H2 141.9(7) . . . no
C5 H7 H2 130.2(9) . . . no
C5 H7 H3 118.5(17) . . . no
C5 H7 H6 12.7(6) . . . no
C5 H7 H6 12.8(5) . . . no
C5 H7 H7 125.7(5) . . . no
C5 H7 H8 116.7(15) . . . no
C5 H7 H8 53.8(9) . . . no
C5 H7 H8 138.8(13) . . . no
C5 H7 H9 69.3(9) . . . no
C6 H7 C7 112.1(10) 3_765 3_765 3_765 no
C6 H7 C8 122.3(21) 3_765 3_765 3_765 no
C6 H7 C8 116.9(8) 3_765 3_765 3_765 no
C6 H7 C8 70.3(6) 3_765 3_765 3_765 no
C6 H7 C9 121.6(14) 3_765 3_765 3_765 no
C6 H7 C9 122.7(9) 3_765 3_765 3_765 no
C6 H7 C10 124.1(10) 3_765 3_765 3_765 no
C6 H7 C10 134.9(9) 3_765 3_765 3_765 no
C6 H7 H2 15.5(4) 3_765 3_765 3_765 no
C6 H7 H2 18.2(6) 3_765 3_765 3_765 no
C6 H7 H3 15.2(18) 3_765 3_765 3_765 no
C6 H7 H6 136.2(10) 3_765 3_765 3_765 no
C6 H7 H6 135.2(9) 3_765 3_765 3_765 no
C6 H7 H7 66.5(5) 3_765 3_765 3_765 no
C6 H7 H8 112.7(18) 3_765 3_765 3_765 no
C6 H7 H8 166.2(12) 3_765 3_765 3_765 no
C6 H7 H8 87.0(11) 3_765 3_765 3_765 no
C6 H7 H9 127.1(10) 3_765 3_765 3_765 no
C7 H7 C8 33.8(10) . . . no
C7 H7 C8 12.8(3) . . . no
C7 H7 C8 175.3(10) . . . no
C7 H7 C9 68.0(8) . . . no
C7 H7 C9 34.1(4) . . . no
C7 H7 C10 54.9(6) . . . no
C7 H7 C10 111.2(11) . . . no
C7 H7 H2 123.8(12) . . . no
C7 H7 H2 99.4(12) . . . no
C7 H7 H3 118.0(12) . . . no
C7 H7 H6 61.0(11) . . . no
C7 H7 H6 42.8(10) . . . no
C7 H7 H7 176.1(7) . . . no
C7 H7 H8 91.2(13) . . . no
C7 H7 H8 79.7(12) . . . no
C7 H7 H8 142.1(12) . . . no
C7 H7 H9 114.1(14) . . . no
C8 H7 C8 21.0(11) . . . no
C8 H7 C8 141.5(17) . . . no
C8 H7 C9 34.2(9) . . . no
C8 H7 C9 0.4(10) . . . no
C8 H7 C10 21.1(10) . . . no
C8 H7 C10 100.7(16) . . . no
C8 H7 H2 124.9(23) . . . no
C8 H7 H2 104.4(22) . . . no
C8 H7 H3 135.4(28) . . . no
C8 H7 H6 77.7(20) . . . no
C8 H7 H6 61.7(18) . . . no
C8 H7 H7 150.0(14) . . . no
C8 H7 H8 57.4(15) . . . no
C8 H7 H8 71.4(18) . . . no
C8 H7 H8 108.3(17) . . . no
C8 H7 H9 110.4(19) . . . no
C8 H7 C8 162.6(8) 2_755 2_755 2_755 no
C8 H7 C9 55.2(6) 2_755 2_755 2_755 no
C8 H7 C9 21.3(2) 2_755 2_755 2_755 no
C8 H7 C10 42.2(3) 2_755 2_755 2_755 no
C8 H7 C10 108.1(8) 2_755 2_755 2_755 no
C8 H7 H2 125.7(10) 2_755 2_755 2_755 no
C8 H7 H2 101.6(11) 2_755 2_755 2_755 no
C8 H7 H3 125.6(13) 2_755 2_755 2_755 no
C8 H7 H6 66.8(9) 2_755 2_755 2_755 no
C8 H7 H6 48.8(8) 2_755 2_755 2_755 no
C8 H7 H7 171.1(4) 2_755 2_755 2_755 no
C8 H7 H8 78.4(12) 2_755 2_755 2_755 no
C8 H7 H8 76.2(10) 2_755 2_755 2_755 no
C8 H7 H8 129.3(11) 2_755 2_755 2_755 no
C8 H7 H9 113.9(10) 2_755 2_755 2_755 no
C8 H7 C9 107.4(9) 2_855 2_855 2_855 no
C8 H7 C9 141.3(7) 2_855 2_855 2_855 no
C8 H7 C10 120.4(7) 2_855 2_855 2_855 no
C8 H7 C10 67.4(5) 2_855 2_855 2_855 no
C8 H7 H2 57.8(7) 2_855 2_855 2_855 no
C8 H7 H2 82.0(9) 2_855 2_855 2_855 no
C8 H7 H3 65.4(9) 2_855 2_855 2_855 no
C8 H7 H6 120.3(11) 2_855 2_855 2_855 no
C8 H7 H6 138.3(11) 2_855 2_855 2_855 no
C8 H7 H7 8.5(4) 2_855 2_855 2_855 no
C8 H7 H8 84.1(13) 2_855 2_855 2_855 no
C8 H7 H8 98.5(9) 2_855 2_855 2_855 no
C8 H7 H8 33.2(8) 2_855 2_855 2_855 no
C8 H7 H9 65.7(7) 2_855 2_855 2_855 no
C9 H7 C9 33.9(5) . . . no
C9 H7 C10 13.1(3) . . . no
C9 H7 C10 85.9(7) . . . no
C9 H7 H2 113.9(14) . . . no
C9 H7 H2 105.4(14) . . . no
C9 H7 H3 136.3(27) . . . no
C9 H7 H6 96.9(12) . . . no
C9 H7 H6 86.6(11) . . . no
C9 H7 H7 115.9(8) . . . no
C9 H7 H8 23.3(10) . . . no
C9 H7 H8 68.5(10) . . . no
C9 H7 H8 74.1(11) . . . no
C9 H7 H9 98.9(11) . . . no
C9 H7 C10 20.9(2) 2_755 2_755 2_755 no
C9 H7 C10 100.3(6) 2_755 2_755 2_755 no
C9 H7 H2 125.2(10) 2_755 2_755 2_755 no
C9 H7 H2 104.8(11) 2_755 2_755 2_755 no
C9 H7 H3 135.8(19) 2_755 2_755 2_755 no
C9 H7 H6 77.6(9) 2_755 2_755 2_755 no
C9 H7 H6 61.7(8) 2_755 2_755 2_755 no
C9 H7 H7 149.8(4) 2_755 2_755 2_755 no
C9 H7 H8 57.2(11) 2_755 2_755 2_755 no
C9 H7 H8 71.0(9) 2_755 2_755 2_755 no
C9 H7 H8 108.0(10) 2_755 2_755 2_755 no
C9 H7 H9 110.1(9) 2_755 2_755 2_755 no
C10 H7 C10 91.0(6) . . . no
C10 H7 H2 120.0(11) . . . no
C10 H7 H2 106.4(12) . . . no
C10 H7 H3 139.2(24) . . . no
C10 H7 H6 89.0(9) . . . no
C10 H7 H6 76.4(8) . . . no
C10 H7 H7 128.9(5) . . . no
C10 H7 H8 36.3(10) . . . no
C10 H7 H8 68.1(9) . . . no
C10 H7 H8 87.2(9) . . . no
C10 H7 H9 103.3(9) . . . no
C10 H7 H2 125.0(9) 3_754 3_754 3_754 no
C10 H7 H2 149.3(11) 3_754 3_754 3_754 no
C10 H7 H3 123.9(17) 3_754 3_754 3_754 no
C10 H7 H6 60.9(8) 3_754 3_754 3_754 no
C10 H7 H6 75.0(8) 3_754 3_754 3_754 no
C10 H7 H7 69.4(5) 3_754 3_754 3_754 no
C10 H7 H8 77.7(15) 3_754 3_754 3_754 no
C10 H7 H8 31.9(7) 3_754 3_754 3_754 no
C10 H7 H8 65.5(10) 3_754 3_754 3_754 no
C10 H7 H9 13.3(7) 3_754 3_754 3_754 no
H2 H7 H2 24.4(10) 4_565 4_565 4_565 no
H2 H7 H3 23.9(18) 4_565 4_565 4_565 no
H2 H7 H6 148.4(11) 4_565 4_565 4_565 no
H2 H7 H6 150.6(9) 4_565 4_565 4_565 no
H2 H7 H7 55.7(7) 4_565 4_565 4_565 no
H2 H7 H8 100.6(17) 4_565 4_565 4_565 no
H2 H7 H8 156.2(12) 4_565 4_565 4_565 no
H2 H7 H8 71.6(11) 4_565 4_565 4_565 no
H2 H7 H9 120.4(11) 4_565 4_565 4_565 no
H2 H7 H3 33.0(19) 3_765 3_765 3_765 no
H2 H7 H6 142.0(11) 3_765 3_765 3_765 no
H2 H7 H6 133.0(12) 3_765 3_765 3_765 no
H2 H7 H7 80.1(8) 3_765 3_765 3_765 no
H2 H7 H8 101.3(19) 3_765 3_765 3_765 no
H2 H7 H8 173.8(14) 3_765 3_765 3_765 no
H2 H7 H8 89.9(13) 3_765 3_765 3_765 no
H2 H7 H9 144.2(12) 3_765 3_765 3_765 no
H3 H7 H6 124.6(21) 3_765 3_765 3_765 no
H3 H7 H6 128.7(16) 3_765 3_765 3_765 no
H3 H7 H7 59.8(9) 3_765 3_765 3_765 no
H3 H7 H8 124.5(25) 3_765 3_765 3_765 no
H3 H7 H8 152.2(23) 3_765 3_765 3_765 no
H3 H7 H8 89.2(15) 3_765 3_765 3_765 no
H3 H7 H9 114.0(18) 3_765 3_765 3_765 no
H6 H7 H6 18.3(9) . . . no
H6 H7 H7 117.1(8) . . . no
H6 H7 H8 110.7(17) . . . no
H6 H7 H8 42.6(10) . . . no
H6 H7 H8 126.2(14) . . . no
H6 H7 H9 57.0(10) . . . no
H6 H7 H7 135.4(8) 2_755 2_755 2_755 no
H6 H7 H8 105.2(15) 2_755 2_755 2_755 no
H6 H7 H8 49.5(10) 2_755 2_755 2_755 no
H6 H7 H8 136.8(13) 2_755 2_755 2_755 no
H6 H7 H9 73.5(10) 2_755 2_755 2_755 no
H7 H7 H8 92.6(12) 2_855 2_855 2_855 no
H7 H7 H8 101.2(9) 2_855 2_855 2_855 no
H7 H7 H8 41.7(9) 2_855 2_855 2_855 no
H7 H7 H9 65.6(7) 2_855 2_855 2_855 no
H8 H7 H8 72.6(10) . . . no
H8 H7 H8 50.9(17) . . . no
H8 H7 H9 90.7(17) . . . no
H8 H7 H8 87.2(8) 3_754 3_754 3_754 no
H8 H7 H9 39.2(9) 3_754 3_754 3_754 no
H8 H7 H9 71.8(13) 2_855 2_855 2_855 no
C5 H8 C7 156.2(18) 3_755 3_755 3_755 no
C5 H8 C7 45.9(6) 3_755 3_755 3_755 no
C5 H8 C8 158.2(25) 3_755 3_755 3_755 no
C5 H8 C8 142.1(14) 3_755 3_755 3_755 no
C5 H8 C8 62.1(9) 3_755 3_755 3_755 no
C5 H8 C9 140.8(33) 3_755 3_755 3_755 no
C5 H8 C9 81.1(11) 3_755 3_755 3_755 no
C5 H8 C9 123.0(13) 3_755 3_755 3_755 no
C5 H8 C9 82.9(12) 3_755 3_755 3_755 no
C5 H8 C9 71.4(9) 3_755 3_755 3_755 no
C5 H8 C10 109.0(16) 3_755 3_755 3_755 no
C5 H8 C10 82.6(11) 3_755 3_755 3_755 no
C5 H8 C10 85.2(11) 3_755 3_755 3_755 no
C5 H8 H5 13.6(10) 3_755 3_755 3_755 no
C5 H8 H6 15.9(6) 3_755 3_755 3_755 no
C5 H8 H6 9.0(8) 3_755 3_755 3_755 no
C5 H8 H7 143.9(21) 3_755 3_755 3_755 no
C5 H8 H7 62.7(10) 3_755 3_755 3_755 no
C5 H8 H7 103.4(13) 3_755 3_755 3_755 no
C5 H8 H8 92.3(17) 3_755 3_755 3_755 no
C5 H8 H8 115.4(7) 3_755 3_755 3_755 no
C5 H8 H8 95.0(18) 3_755 3_755 3_755 no
C5 H8 H8 64.6(7) 3_755 3_755 3_755 no
C5 H8 H9 85.2(15) 3_755 3_755 3_755 no
C5 H8 H9 95.0(13) 3_755 3_755 3_755 no
C7 H8 C7 151.8(16) . . . no
C7 H8 C8 15.3(5) . . . no
C7 H8 C8 21.4(3) . . . no
C7 H8 C8 131.7(15) . . . no
C7 H8 C9 21.1(19) . . . no
C7 H8 C9 79.9(12) . . . no
C7 H8 C9 43.1(6) . . . no
C7 H8 C9 115.5(14) . . . no
C7 H8 C9 120.4(13) . . . no
C7 H8 C10 57.8(11) . . . no
C7 H8 C10 84.5(12) . . . no
C7 H8 C10 117.5(14) . . . no
C7 H8 H5 143.7(17) . . . no
C7 H8 H6 162.8(20) . . . no
C7 H8 H6 151.0(21) . . . no
C7 H8 H7 40.7(10) . . . no
C7 H8 H7 124.0(14) . . . no
C7 H8 H7 86.4(11) . . . no
C7 H8 H8 67.1(15) . . . no
C7 H8 H8 51.9(7) . . . no
C7 H8 H8 101.5(19) . . . no
C7 H8 H8 128.1(7) . . . no
C7 H8 H9 81.4(14) . . . no
C7 H8 H9 75.1(11) . . . no
C7 H8 C8 155.5(22) 3_755 3_755 3_755 no
C7 H8 C8 137.4(14) 3_755 3_755 3_755 no
C7 H8 C8 20.7(3) 3_755 3_755 3_755 no
C7 H8 C9 139.4(36) 3_755 3_755 3_755 no
C7 H8 C9 126.9(12) 3_755 3_755 3_755 no
C7 H8 C9 119.5(13) 3_755 3_755 3_755 no
C7 H8 C9 37.2(6) 3_755 3_755 3_755 no
C7 H8 C9 75.9(9) 3_755 3_755 3_755 no
C7 H8 C10 107.2(18) 3_755 3_755 3_755 no
C7 H8 C10 123.7(12) 3_755 3_755 3_755 no
C7 H8 C10 41.4(6) 3_755 3_755 3_755 no
C7 H8 H5 59.5(12) 3_755 3_755 3_755 no
C7 H8 H6 45.2(11) 3_755 3_755 3_755 no
C7 H8 H6 45.9(14) 3_755 3_755 3_755 no
C7 H8 H7 144.7(19) 3_755 3_755 3_755 no
C7 H8 H7 32.6(7) 3_755 3_755 3_755 no
C7 H8 H7 106.5(13) 3_755 3_755 3_755 no
C7 H8 H8 138.1(20) 3_755 3_755 3_755 no
C7 H8 H8 111.3(6) 3_755 3_755 3_755 no
C7 H8 H8 50.6(11) 3_755 3_755 3_755 no
C7 H8 H8 68.7(6) 3_755 3_755 3_755 no
C7 H8 H9 88.0(18) 3_755 3_755 3_755 no
C7 H8 H9 132.2(13) 3_755 3_755 3_755 no
C8 H8 C8 36.7(8) . . . no
C8 H8 C8 139.3(22) . . . no
C8 H8 C9 36.3(19) . . . no
C8 H8 C9 77.1(16) . . . no
C8 H8 C9 58.4(11) . . . no
C8 H8 C9 118.9(20) . . . no
C8 H8 C9 105.1(15) . . . no
C8 H8 C10 73.0(16) . . . no
C8 H8 C10 76.7(16) . . . no
C8 H8 C10 114.8(19) . . . no
C8 H8 H5 144.8(23) . . . no
C8 H8 H6 153.9(23) . . . no
C8 H8 H6 158.3(28) . . . no
C8 H8 H7 25.5(9) . . . no
C8 H8 H7 135.9(20) . . . no
C8 H8 H7 71.1(12) . . . no
C8 H8 H8 66.4(18) . . . no
C8 H8 H8 67.2(12) . . . no
C8 H8 H8 106.7(24) . . . no
C8 H8 H8 112.8(12) . . . no
C8 H8 H9 96.6(19) . . . no
C8 H8 H9 65.2(14) . . . no
C8 H8 C8 117.1(13) 2_755 2_755 2_755 no
C8 H8 C9 2.7(25) 2_755 2_755 2_755 no
C8 H8 C9 85.1(11) 2_755 2_755 2_755 no
C8 H8 C9 21.7(3) 2_755 2_755 2_755 no
C8 H8 C9 107.9(13) 2_755 2_755 2_755 no
C8 H8 C9 141.8(14) 2_755 2_755 2_755 no
C8 H8 C10 36.4(9) 2_755 2_755 2_755 no
C8 H8 C10 96.0(12) 2_755 2_755 2_755 no
C8 H8 C10 117.6(13) 2_755 2_755 2_755 no
C8 H8 H5 134.2(14) 2_755 2_755 2_755 no
C8 H8 H6 157.2(15) 2_755 2_755 2_755 no
C8 H8 H6 134.1(17) 2_755 2_755 2_755 no
C8 H8 H7 62.1(12) 2_755 2_755 2_755 no
C8 H8 H7 105.7(12) 2_755 2_755 2_755 no
C8 H8 H7 107.8(13) 2_755 2_755 2_755 no
C8 H8 H8 71.1(15) 2_755 2_755 2_755 no
C8 H8 H8 30.5(7) 2_755 2_755 2_755 no
C8 H8 H8 93.1(17) 2_755 2_755 2_755 no
C8 H8 H8 149.5(7) 2_755 2_755 2_755 no
C8 H8 H9 60.3(12) 2_755 2_755 2_755 no
C8 H8 H9 89.9(12) 2_755 2_755 2_755 no
C8 H8 C9 119.2(35) 3_755 3_755 3_755 no
C8 H8 C9 141.8(14) 3_755 3_755 3_755 no
C8 H8 C9 100.8(13) 3_755 3_755 3_755 no
C8 H8 C9 23.2(4) 3_755 3_755 3_755 no
C8 H8 C9 93.3(12) 3_755 3_755 3_755 no
C8 H8 C10 90.3(16) 3_755 3_755 3_755 no
C8 H8 C10 143.6(14) 3_755 3_755 3_755 no
C8 H8 C10 37.6(6) 3_755 3_755 3_755 no
C8 H8 H5 75.0(13) 3_755 3_755 3_755 no
C8 H8 H6 64.8(12) 3_755 3_755 3_755 no
C8 H8 H6 59.3(15) 3_755 3_755 3_755 no
C8 H8 H7 142.5(22) 3_755 3_755 3_755 no
C8 H8 H7 16.7(5) 3_755 3_755 3_755 no
C8 H8 H7 119.1(15) 3_755 3_755 3_755 no
C8 H8 H8 148.4(20) 3_755 3_755 3_755 no
C8 H8 H8 93.3(7) 3_755 3_755 3_755 no
C8 H8 H8 32.9(9) 3_755 3_755 3_755 no
C8 H8 H8 86.7(7) 3_755 3_755 3_755 no
C8 H8 H9 75.2(18) 3_755 3_755 3_755 no
C8 H8 H9 152.8(14) 3_755 3_755 3_755 no
C9 H8 C9 82.4(34) . . . no
C9 H8 C9 22.2(19) . . . no
C9 H8 C9 110.6(36) . . . no
C9 H8 C9 141.2(33) . . . no
C9 H8 C10 36.8(17) . . . no
C9 H8 C10 93.4(35) . . . no
C9 H8 C10 120.3(37) . . . no
C9 H8 H5 132.3(34) . . . no
C9 H8 H6 155.4(35) . . . no
C9 H8 H6 133.1(35) . . . no
C9 H8 H7 61.7(26) . . . no
C9 H8 H7 107.4(32) . . . no
C9 H8 H7 107.3(30) . . . no
C9 H8 H8 68.3(34) . . . no
C9 H8 H8 31.1(27) . . . no
C9 H8 H8 95.8(38) . . . no
C9 H8 H8 148.9(27) . . . no
C9 H8 H9 60.4(22) . . . no
C9 H8 H9 87.6(33) . . . no
C9 H8 C9 90.1(12) 3_754 3_754 3_754 no
C9 H8 C9 164.0(14) 3_754 3_754 3_754 no
C9 H8 C9 84.0(10) 3_754 3_754 3_754 no
C9 H8 C10 92.2(18) 3_754 3_754 3_754 no
C9 H8 C10 20.1(3) 3_754 3_754 3_754 no
C9 H8 C10 155.5(13) 3_754 3_754 3_754 no
C9 H8 H5 67.7(11) 3_754 3_754 3_754 no
C9 H8 H6 82.9(13) 3_754 3_754 3_754 no
C9 H8 H6 82.8(16) 3_754 3_754 3_754 no
C9 H8 H7 74.6(16) 3_754 3_754 3_754 no
C9 H8 H7 133.8(14) 3_754 3_754 3_754 no
C9 H8 H7 77.4(12) 3_754 3_754 3_754 no
C9 H8 H8 14.0(7) 3_754 3_754 3_754 no
C9 H8 H8 93.3(6) 3_754 3_754 3_754 no
C9 H8 H8 170.8(19) 3_754 3_754 3_754 no
C9 H8 H8 86.7(6) 3_754 3_754 3_754 no
C9 H8 H9 92.6(21) 3_754 3_754 3_754 no
C9 H8 H9 29.7(7) 3_754 3_754 3_754 no
C9 H8 C9 98.7(13) 2_755 2_755 2_755 no
C9 H8 C9 163.4(16) 2_755 2_755 2_755 no
C9 H8 C10 14.7(6) 2_755 2_755 2_755 no
C9 H8 C10 106.2(14) 2_755 2_755 2_755 no
C9 H8 C10 114.4(14) 2_755 2_755 2_755 no
C9 H8 H5 118.7(13) 2_755 2_755 2_755 no
C9 H8 H6 138.9(15) 2_755 2_755 2_755 no
C9 H8 H6 114.3(17) 2_755 2_755 2_755 no
C9 H8 H7 83.8(15) 2_755 2_755 2_755 no
C9 H8 H7 86.9(11) 2_755 2_755 2_755 no
C9 H8 H7 129.5(15) 2_755 2_755 2_755 no
C9 H8 H8 76.9(16) 2_755 2_755 2_755 no
C9 H8 H8 8.8(8) 2_755 2_755 2_755 no
C9 H8 H8 85.0(17) 2_755 2_755 2_755 no
C9 H8 H8 171.2(8) 2_755 2_755 2_755 no
C9 H8 H9 38.8(10) 2_755 2_755 2_755 no
C9 H8 H9 104.3(14) 2_755 2_755 2_755 no
C9 H8 C9 90.8(12) 3_755 3_755 3_755 no
C9 H8 C10 93.1(18) 3_755 3_755 3_755 no
C9 H8 C10 155.0(13) 3_755 3_755 3_755 no
C9 H8 C10 20.2(3) 3_755 3_755 3_755 no
C9 H8 H5 96.3(15) 3_755 3_755 3_755 no
C9 H8 H6 81.7(14) 3_755 3_755 3_755 no
C9 H8 H6 81.5(17) 3_755 3_755 3_755 no
C9 H8 H7 119.3(20) 3_755 3_755 3_755 no
C9 H8 H7 34.8(7) 3_755 3_755 3_755 no
C9 H8 H7 106.3(14) 3_755 3_755 3_755 no
C9 H8 H8 170.4(20) 3_755 3_755 3_755 no
C9 H8 H8 93.7(7) 3_755 3_755 3_755 no
C9 H8 H8 14.8(6) 3_755 3_755 3_755 no
C9 H8 H8 86.3(7) 3_755 3_755 3_755 no
C9 H8 H9 86.2(21) 3_755 3_755 3_755 no
C9 H8 H9 153.6(13) 3_755 3_755 3_755 no
C9 H8 C10 176.1(25) 2_855 2_855 2_855 no
C9 H8 C10 65.3(8) 2_855 2_855 2_855 no
C9 H8 C10 72.4(9) 2_855 2_855 2_855 no
C9 H8 H5 73.3(9) 2_855 2_855 2_855 no
C9 H8 H6 55.7(9) 2_855 2_855 2_855 no
C9 H8 H6 80.4(13) 2_855 2_855 2_855 no
C9 H8 H7 79.7(13) 2_855 2_855 2_855 no
C9 H8 H7 108.3(14) 2_855 2_855 2_855 no
C9 H8 H7 34.0(6) 2_855 2_855 2_855 no
C9 H8 H8 95.6(15) 2_855 2_855 2_855 no
C9 H8 H8 172.3(8) 2_855 2_855 2_855 no
C9 H8 H8 102.8(16) 2_855 2_855 2_855 no
C9 H8 H8 7.7(8) 2_855 2_855 2_855 no
C9 H8 H9 156.6(19) 2_855 2_855 2_855 no
C9 H8 H9 63.9(8) 2_855 2_855 2_855 no
C10 H8 C10 110.8(20) . . . no
C10 H8 C10 111.5(20) . . . no
C10 H8 H5 106.2(16) . . . no
C10 H8 H6 124.8(18) . . . no
C10 H8 H6 100.1(19) . . . no
C10 H8 H7 98.4(20) . . . no
C10 H8 H7 75.1(15) . . . no
C10 H8 H7 144.0(21) . . . no
C10 H8 H8 80.5(21) . . . no
C10 H8 H8 6.4(13) . . . no
C10 H8 H8 81.1(20) . . . no
C10 H8 H8 173.6(13) . . . no
C10 H8 H9 24.1(9) . . . no
C10 H8 H9 112.2(21) . . . no
C10 H8 C10 137.7(11) 3_754 3_754 3_754 no
C10 H8 H5 70.8(11) 3_754 3_754 3_754 no
C10 H8 H6 78.8(12) 3_754 3_754 3_754 no
C10 H8 H6 87.2(16) 3_754 3_754 3_754 no
C10 H8 H7 65.6(15) 3_754 3_754 3_754 no
C10 H8 H7 144.1(14) 3_754 3_754 3_754 no
C10 H8 H7 58.0(10) 3_754 3_754 3_754 no
C10 H8 H8 30.3(8) 3_754 3_754 3_754 no
C10 H8 H8 110.9(7) 3_754 3_754 3_754 no
C10 H8 H8 168.0(19) 3_754 3_754 3_754 no
C10 H8 H8 69.1(7) 3_754 3_754 3_754 no
C10 H8 H9 112.6(23) 3_754 3_754 3_754 no
C10 H8 H9 13.8(6) 3_754 3_754 3_754 no
C10 H8 H5 98.5(14) 3_755 3_755 3_755 no
C10 H8 H6 78.5(13) 3_755 3_755 3_755 no
C10 H8 H6 86.8(17) 3_755 3_755 3_755 no
C10 H8 H7 106.5(17) 3_755 3_755 3_755 no
C10 H8 H7 52.6(9) 3_755 3_755 3_755 no
C10 H8 H7 86.2(11) 3_755 3_755 3_755 no
C10 H8 H8 167.9(19) 3_755 3_755 3_755 no
C10 H8 H8 111.0(6) 3_755 3_755 3_755 no
C10 H8 H8 30.4(8) 3_755 3_755 3_755 no
C10 H8 H8 69.0(6) 3_755 3_755 3_755 no
C10 H8 H9 106.5(22) 3_755 3_755 3_755 no
C10 H8 H9 133.5(12) 3_755 3_755 3_755 no
H5 H8 H6 23.2(10) 3_755 3_755 3_755 no
H5 H8 H6 16.4(15) 3_755 3_755 3_755 no
H5 H8 H7 135.2(21) 3_755 3_755 3_755 no
H5 H8 H7 73.6(13) 3_755 3_755 3_755 no
H5 H8 H7 101.5(13) 3_755 3_755 3_755 no
H5 H8 H8 78.7(16) 3_755 3_755 3_755 no
H5 H8 H8 112.4(7) 3_755 3_755 3_755 no
H5 H8 H8 107.9(20) 3_755 3_755 3_755 no
H5 H8 H8 67.6(7) 3_755 3_755 3_755 no
H5 H8 H9 84.0(15) 3_755 3_755 3_755 no
H5 H8 H9 83.9(14) 3_755 3_755 3_755 no
H6 H8 H6 24.7(13) 4 4 4 no
H6 H8 H7 131.9(19) 4 4 4 no
H6 H8 H7 70.1(13) 4 4 4 no
H6 H8 H7 88.4(12) 4 4 4 no
H6 H8 H8 95.9(18) 4 4 4 no
H6 H8 H8 131.2(9) 4 4 4 no
H6 H8 H8 95.7(20) 4 4 4 no
H6 H8 H8 48.8(9) 4 4 4 no
H6 H8 H9 100.9(16) 4 4 4 no
H6 H8 H9 89.2(14) 4 4 4 no
H6 H8 H7 151.2(25) 3_755 3_755 3_755 no
H6 H8 H7 57.2(15) 3_755 3_755 3_755 no
H6 H8 H7 112.3(17) 3_755 3_755 3_755 no
H6 H8 H8 92.5(20) 3_755 3_755 3_755 no
H6 H8 H8 106.5(12) 3_755 3_755 3_755 no
H6 H8 H8 92.1(22) 3_755 3_755 3_755 no
H6 H8 H8 73.5(12) 3_755 3_755 3_755 no
H6 H8 H9 76.2(17) 3_755 3_755 3_755 no
H6 H8 H9 100.3(18) 3_755 3_755 3_755 no
H7 H8 H7 150.2(24) . . . no
H7 H8 H7 45.6(12) . . . no
H7 H8 H8 69.1(18) . . . no
H7 H8 H8 92.6(12) . . . no
H7 H8 H8 112.5(24) . . . no
H7 H8 H8 87.4(12) . . . no
H7 H8 H9 121.8(22) . . . no
H7 H8 H9 52.0(14) . . . no
H7 H8 H7 135.8(18) 3_755 3_755 3_755 no
H7 H8 H8 135.7(20) 3_755 3_755 3_755 no
H7 H8 H8 78.8(9) 3_755 3_755 3_755 no
H7 H8 H8 38.3(11) 3_755 3_755 3_755 no
H7 H8 H8 101.2(9) 3_755 3_755 3_755 no
H7 H8 H9 58.6(17) 3_755 3_755 3_755 no
H7 H8 H9 157.5(16) 3_755 3_755 3_755 no
H7 H8 H8 82.9(15) 2_855 2_855 2_855 no
H7 H8 H8 138.3(9) 2_855 2_855 2_855 no
H7 H8 H8 111.7(18) 2_855 2_855 2_855 no
H7 H8 H8 41.7(9) 2_855 2_855 2_855 no
H7 H8 H9 165.5(25) 2_855 2_855 2_855 no
H7 H8 H9 48.4(9) 2_855 2_855 2_855 no
H8 H8 H8 80.8(13) 3_754 3_754 3_754 no
H8 H8 H8 161.6(26) 3_754 3_754 3_754 no
H8 H8 H8 99.2(13) 3_754 3_754 3_754 no
H8 H8 H9 85.0(24) 3_754 3_754 3_754 no
H8 H8 H9 34.9(9) 3_754 3_754 3_754 no
H8 H8 H8 80.8(13) 2_755 2_755 2_755 no
H8 H8 H8 180.00000(10) 2_755 2_755 2_755 no
H8 H8 H9 30.4(13) 2_755 2_755 2_755 no
H8 H8 H9 110.7(7) 2_755 2_755 2_755 no
H8 H8 H8 99.2(13) 3_755 3_755 3_755 no
H8 H8 H9 78.7(23) 3_755 3_755 3_755 no
H8 H8 H9 159.5(20) 3_755 3_755 3_755 no
H8 H8 H9 149.6(13) 2_855 2_855 2_855 no
H8 H8 H9 69.3(7) 2_855 2_855 2_855 no
H9 H8 H9 119.9(26) . . . no
Cl1 H9 C5 65.4(5) 3_755 3_755 3_755 no
Cl1 H9 C5 65.4(5) 3_755 3_755 3_755 no
Cl1 H9 C7 176.7(18) 3_755 3_755 3_755 no
Cl1 H9 C8 157.9(5) 3_755 3_755 3_755 no
Cl1 H9 C8 64.7(8) 3_755 3_755 3_755 no
Cl1 H9 C8 157.9(5) 3_755 3_755 3_755 no
Cl1 H9 C8 64.7(8) 3_755 3_755 3_755 no
Cl1 H9 C9 143.6(8) 3_755 3_755 3_755 no
Cl1 H9 C9 143.6(8) 3_755 3_755 3_755 no
Cl1 H9 C10 167.8(41) 3_755 3_755 3_755 no
Cl1 H9 H2 59.7(9) 3_755 3_755 3_755 no
Cl1 H9 H2 59.7(9) 3_755 3_755 3_755 no
Cl1 H9 H6 68.2(10) 3_755 3_755 3_755 no
Cl1 H9 H6 68.2(10) 3_755 3_755 3_755 no
Cl1 H9 H7 51.7(8) 3_755 3_755 3_755 no
Cl1 H9 H7 51.7(8) 3_755 3_755 3_755 no
Cl1 H9 H8 119.4(14) 3_755 3_755 3_755 no
Cl1 H9 H8 87.6(14) 3_755 3_755 3_755 no
Cl1 H9 H8 119.4(14) 3_755 3_755 3_755 no
Cl1 H9 H8 87.6(14) 3_755 3_755 3_755 no
C5 H9 C5 124.2(10) 3_655 3_655 3_655 no
C5 H9 C7 115.4(6) 3_655 3_655 3_655 no
C5 H9 C8 136.7(9) 3_655 3_655 3_655 no
C5 H9 C8 55.2(3) 3_655 3_655 3_655 no
C5 H9 C8 94.3(3) 3_655 3_655 3_655 no
C5 H9 C8 120.0(11) 3_655 3_655 3_655 no
C5 H9 C9 151.0(13) 3_655 3_655 3_655 no
C5 H9 C9 81.0(2) 3_655 3_655 3_655 no
C5 H9 C10 116.9(7) 3_655 3_655 3_655 no
C5 H9 H2 78.6(9) 3_655 3_655 3_655 no
C5 H9 H2 54.6(7) 3_655 3_655 3_655 no
C5 H9 H6 3.5(6) 3_655 3_655 3_655 no
C5 H9 H6 127.6(13) 3_655 3_655 3_655 no
C5 H9 H7 61.2(7) 3_655 3_655 3_655 no
C5 H9 H7 104.4(11) 3_655 3_655 3_655 no
C5 H9 H8 173.3(25) 3_655 3_655 3_655 no
C5 H9 H8 82.5(9) 3_655 3_655 3_655 no
C5 H9 H8 58.0(11) 3_655 3_655 3_655 no
C5 H9 H8 119.6(13) 3_655 3_655 3_655 no
C5 H9 C7 115.4(6) 3_755 3_755 3_755 no
C5 H9 C8 94.3(3) 3_755 3_755 3_755 no
C5 H9 C8 120.0(11) 3_755 3_755 3_755 no
C5 H9 C8 136.7(9) 3_755 3_755 3_755 no
C5 H9 C8 55.2(3) 3_755 3_755 3_755 no
C5 H9 C9 81.0(2) 3_755 3_755 3_755 no
C5 H9 C9 151.0(13) 3_755 3_755 3_755 no
C5 H9 C10 116.9(7) 3_755 3_755 3_755 no
C5 H9 H2 54.6(7) 3_755 3_755 3_755 no
C5 H9 H2 78.6(9) 3_755 3_755 3_755 no
C5 H9 H6 127.6(13) 3_755 3_755 3_755 no
C5 H9 H6 3.5(6) 3_755 3_755 3_755 no
C5 H9 H7 104.4(11) 3_755 3_755 3_755 no
C5 H9 H7 61.2(7) 3_755 3_755 3_755 no
C5 H9 H8 57.9(11) 3_755 3_755 3_755 no
C5 H9 H8 119.6(13) 3_755 3_755 3_755 no
C5 H9 H8 173.3(25) 3_755 3_755 3_755 no
C5 H9 H8 82.5(9) 3_755 3_755 3_755 no
C7 H9 C8 21.7(2) . . . no
C7 H9 C8 112.9(9) . . . no
C7 H9 C8 21.7(2) . . . no
C7 H9 C8 112.9(9) . . . no
C7 H9 C9 35.9(6) . . . no
C7 H9 C9 35.9(6) . . . no
C7 H9 C10 8.9(24) . . . no
C7 H9 H2 123.5(15) . . . no
C7 H9 H2 123.5(15) . . . no
C7 H9 H6 112.4(10) . . . no
C7 H9 H6 112.4(10) . . . no
C7 H9 H7 125.5(13) . . . no
C7 H9 H7 125.5(13) . . . no
C7 H9 H8 60.2(14) . . . no
C7 H9 H8 89.3(11) . . . no
C7 H9 H8 60.2(14) . . . no
C7 H9 H8 89.3(11) . . . no
C8 H9 C8 124.9(13) . . . no
C8 H9 C8 43.3(5) . . . no
C8 H9 C8 97.2(8) . . . no
C8 H9 C9 14.4(4) . . . no
C8 H9 C9 57.4(9) . . . no
C8 H9 C10 22.9(8) . . . no
C8 H9 H2 116.7(14) . . . no
C8 H9 H2 127.4(17) . . . no
C8 H9 H6 133.9(13) . . . no
C8 H9 H6 91.2(8) . . . no
C8 H9 H7 132.8(16) . . . no
C8 H9 H7 112.0(11) . . . no
C8 H9 H8 38.5(13) . . . no
C8 H9 H8 95.9(12) . . . no
C8 H9 H8 81.6(15) . . . no
C8 H9 H8 80.9(10) . . . no
C8 H9 C8 97.2(8) 4_455 4_455 4_455 no
C8 H9 C8 74.6(10) 4_455 4_455 4_455 no
C8 H9 C9 128.4(19) 4_455 4_455 4_455 no
C8 H9 C9 85.1(10) 4_455 4_455 4_455 no
C8 H9 C10 106.1(27) 4_455 4_455 4_455 no
C8 H9 H2 118.4(11) 4_455 4_455 4_455 no
C8 H9 H2 102.4(9) 4_455 4_455 4_455 no
C8 H9 H6 54.0(11) 4_455 4_455 4_455 no
C8 H9 H6 121.0(17) 4_455 4_455 4_455 no
C8 H9 H7 15.6(5) 4_455 4_455 4_455 no
C8 H9 H7 62.5(10) 4_455 4_455 4_455 no
C8 H9 H8 130.4(24) 4_455 4_455 4_455 no
C8 H9 H8 30.8(8) 4_455 4_455 4_455 no
C8 H9 H8 66.7(16) 4_455 4_455 4_455 no
C8 H9 H8 64.5(11) 4_455 4_455 4_455 no
C8 H9 C8 124.9(13) 2_755 2_755 2_755 no
C8 H9 C9 57.4(9) 2_755 2_755 2_755 no
C8 H9 C9 14.4(4) 2_755 2_755 2_755 no
C8 H9 C10 22.9(8) 2_755 2_755 2_755 no
C8 H9 H2 127.4(17) 2_755 2_755 2_755 no
C8 H9 H2 116.7(14) 2_755 2_755 2_755 no
C8 H9 H6 91.2(8) 2_755 2_755 2_755 no
C8 H9 H6 133.9(13) 2_755 2_755 2_755 no
C8 H9 H7 112.0(11) 2_755 2_755 2_755 no
C8 H9 H7 132.8(16) 2_755 2_755 2_755 no
C8 H9 H8 81.6(15) 2_755 2_755 2_755 no
C8 H9 H8 80.9(10) 2_755 2_755 2_755 no
C8 H9 H8 38.5(13) 2_755 2_755 2_755 no
C8 H9 H8 95.9(12) 2_755 2_755 2_755 no
C8 H9 C9 85.1(10) 3_755 3_755 3_755 no
C8 H9 C9 128.4(19) 3_755 3_755 3_755 no
C8 H9 C10 106.1(27) 3_755 3_755 3_755 no
C8 H9 H2 102.4(9) 3_755 3_755 3_755 no
C8 H9 H2 118.4(11) 3_755 3_755 3_755 no
C8 H9 H6 121.0(17) 3_755 3_755 3_755 no
C8 H9 H6 54.0(11) 3_755 3_755 3_755 no
C8 H9 H7 62.5(10) 3_755 3_755 3_755 no
C8 H9 H7 15.6(5) 3_755 3_755 3_755 no
C8 H9 H8 66.7(16) 3_755 3_755 3_755 no
C8 H9 H8 64.5(11) 3_755 3_755 3_755 no
C8 H9 H8 130.4(24) 3_755 3_755 3_755 no
C8 H9 H8 30.8(8) 3_755 3_755 3_755 no
C9 H9 C9 71.3(12) . . . no
C9 H9 C10 35.9(7) . . . no
C9 H9 H2 112.1(15) . . . no
C9 H9 H2 128.8(21) . . . no
C9 H9 H6 148.3(16) . . . no
C9 H9 H6 77.8(6) . . . no
C9 H9 H7 131.6(22) . . . no
C9 H9 H7 100.5(13) . . . no
C9 H9 H8 24.2(12) . . . no
C9 H9 H8 97.7(17) . . . no
C9 H9 H8 95.4(17) . . . no
C9 H9 H8 73.8(13) . . . no
C9 H9 C10 35.9(7) 2_755 2_755 2_755 no
C9 H9 H2 128.8(21) 2_755 2_755 2_755 no
C9 H9 H2 112.1(15) 2_755 2_755 2_755 no
C9 H9 H6 77.8(6) 2_755 2_755 2_755 no
C9 H9 H6 148.3(16) 2_755 2_755 2_755 no
C9 H9 H7 100.5(13) 2_755 2_755 2_755 no
C9 H9 H7 131.6(22) 2_755 2_755 2_755 no
C9 H9 H8 95.4(17) 2_755 2_755 2_755 no
C9 H9 H8 73.8(13) 2_755 2_755 2_755 no
C9 H9 H8 24.2(12) 2_755 2_755 2_755 no
C9 H9 H8 97.7(17) 2_755 2_755 2_755 no
C10 H9 H2 132.1(37) . . . no
C10 H9 H2 132.1(37) . . . no
C10 H9 H6 113.7(10) . . . no
C10 H9 H6 113.7(10) . . . no
C10 H9 H7 117.8(32) . . . no
C10 H9 H7 117.8(32) . . . no
C10 H9 H8 59.6(13) . . . no
C10 H9 H8 81.1(29) . . . no
C10 H9 H8 59.6(13) . . . no
C10 H9 H8 81.1(29) . . . no
H2 H9 H2 24.9(11) 1_545 1_545 1_545 no
H2 H9 H6 81.7(13) 1_545 1_545 1_545 no
H2 H9 H6 57.6(12) 1_545 1_545 1_545 no
H2 H9 H7 109.5(13) 1_545 1_545 1_545 no
H2 H9 H7 98.9(12) 1_545 1_545 1_545 no
H2 H9 H8 99.6(17) 1_545 1_545 1_545 no
H2 H9 H8 146.7(15) 1_545 1_545 1_545 no
H2 H9 H8 122.6(21) 1_545 1_545 1_545 no
H2 H9 H8 133.1(13) 1_545 1_545 1_545 no
H2 H9 H6 57.6(12) 2_745 2_745 2_745 no
H2 H9 H6 81.7(13) 2_745 2_745 2_745 no
H2 H9 H7 98.9(12) 2_745 2_745 2_745 no
H2 H9 H7 109.4(13) 2_745 2_745 2_745 no
H2 H9 H8 122.6(21) 2_745 2_745 2_745 no
H2 H9 H8 133.1(13) 2_745 2_745 2_745 no
H2 H9 H8 99.6(17) 2_745 2_745 2_745 no
H2 H9 H8 146.7(15) 2_745 2_745 2_745 no
H6 H9 H6 131.1(18) 4_455 4_455 4_455 no
H6 H9 H7 61.0(13) 4_455 4_455 4_455 no
H6 H9 H7 105.5(17) 4_455 4_455 4_455 no
H6 H9 H8 171.9(25) 4_455 4_455 4_455 no
H6 H9 H8 80.4(14) 4_455 4_455 4_455 no
H6 H9 H8 54.6(13) 4_455 4_455 4_455 no
H6 H9 H8 118.4(19) 4_455 4_455 4_455 no
H6 H9 H7 105.5(17) 3_755 3_755 3_755 no
H6 H9 H7 61.0(13) 3_755 3_755 3_755 no
H6 H9 H8 54.6(13) 3_755 3_755 3_755 no
H6 H9 H8 118.4(19) 3_755 3_755 3_755 no
H6 H9 H8 171.9(25) 3_755 3_755 3_755 no
H6 H9 H8 80.4(14) 3_755 3_755 3_755 no
H7 H9 H7 48.8(14) 4_455 4_455 4_455 no
H7 H9 H8 125.3(25) 4_455 4_455 4_455 no
H7 H9 H8 37.3(10) 4_455 4_455 4_455 no
H7 H9 H8 82.2(18) 4_455 4_455 4_455 no
H7 H9 H8 59.8(13) 4_455 4_455 4_455 no
H7 H9 H8 82.2(18) 3_755 3_755 3_755 no
H7 H9 H8 59.8(13) 3_755 3_755 3_755 no
H7 H9 H8 125.3(25) 3_755 3_755 3_755 no
H7 H9 H8 37.3(10) 3_755 3_755 3_755 no
H8 H9 H8 102.0(21) . . . no
H8 H9 H8 119.1(26) . . . no
H8 H9 H8 66.4(16) . . . no
H8 H9 H8 66.4(16) 4_455 4_455 4_455 no
H8 H9 H8 41.4(14) 4_455 4_455 4_455 no
H8 H9 H8 102.0(21) 2_755 2_755 2_755 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 H1 2.01(6) . . no
Cl1 H3 2.66(9) . . no
Cl1 H7 2.68(3) . . no
Cl1 H7 2.68(3) . . no
O1 C1 1.215(3) . . ?
N1 C1 1.399(3) . . ?
N1 C4 1.353(3) . . ?
N1 C7 1.455(3) . . ?
N2 C1 1.374(3) . . ?
N2 C2 1.335(3) . . ?
N2 H1 1.07(5) . . no
C2 C3 1.376(3) . . ?
C2 C6 1.493(3) . . ?
C2 H1 1.91(6) . . no
C3 C4 1.386(3) . . ?
C3 H4 0.90(4) . . no
C4 C5 1.476(3) . . ?
C4 H4 1.97(4) . . no
C5 H5 0.91(6) . . no
C5 H6 0.90(3) . . no
C5 H6 0.90(3) . . no
C6 H2 1.01(3) . . no
C6 H2 1.01(3) . . no
C6 H3 1.02(9) . . no
C7 C8 1.374(2) . . ?
C7 C8 1.374(2) . . ?
C8 C9 1.394(3) . . ?
C8 H7 1.04(3) . . no
C9 C10 1.370(3) . . ?
C9 H8 0.96(5) . . no
C10 H9 0.95(4) . . 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_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
? ? ? ? ? ? ? ?
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
? ? ? ? ? ? ? ? ? ?
