#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:26:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180079 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/25/7052521.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_7052521
_publ_section_title
;
 Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3
 adducts with a C--H⋯O supramolecular synthon. Implications for
 non-linear optics
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1520
_journal_paper_doi               10.1039/b104646m
_journal_volume                  25
_journal_year                    2001
_chemical_formula_moiety         'C12 H12 Cl2 N2 O'
_chemical_formula_sum            'C12 H12 Cl2 N2 O'
_chemical_formula_weight         271.15
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_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                 105.23(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.313(1)
_cell_length_b                   6.668(2)
_cell_length_c                   13.644(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14
_cell_measurement_theta_min      10
_cell_volume                     642.0(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_publication_material  'teXsan for Windows(MSC,1997-1999)'
_computing_structure_refinement  'teXsan for Windows(MSC,1997-1999)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      -0.00151
_diffrn_orient_matrix_UB_12      0.02184
_diffrn_orient_matrix_UB_13      -0.07272
_diffrn_orient_matrix_UB_21      0.14110
_diffrn_orient_matrix_UB_22      -0.01352
_diffrn_orient_matrix_UB_23      0.01811
_diffrn_orient_matrix_UB_31      0.01318
_diffrn_orient_matrix_UB_32      0.14775
_diffrn_orient_matrix_UB_33      0.01244
_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  0.02800
_diffrn_reflns_av_sigmaI/netI    0.055
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8137
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         39.95
_diffrn_reflns_theta_min         3.06
_diffrn_standards_decay_%        -1.03
_diffrn_standards_interval_count 0
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.489
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_meas      ?
_exptl_crystal_description       NONE
_exptl_crystal_F_000             280
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.693
_refine_ls_goodness_of_fit_ref   2.690
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1726
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0380
_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) + 0.00006|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0410
_refine_ls_wR_factor_ref         0.0410
_reflns_number_gt                1726
_reflns_number_total             4195
_reflns_threshold_expression     I>3.00σ(I)
_cod_data_source_file            b104646m.txt
_cod_data_source_block           '_1Cl.HCl__'
_cod_original_cell_volume        641.9(2)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7052521
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,1/2+y,   -z'
'   -x,   -y,   -z'
'   +x,1/2-y,   +z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Cl(1) 0.09847(7) 0.2500 0.38177(3) 0.0938(1) 0.500 S Uani d ?
Cl(2) 0.62592(4) -0.2500 0.85940(2) 0.04899(8) 0.500 S Uani d ?
O(1) 0.30200(10) 0.2500 0.85862(6) 0.0691(3) 0.500 S Uani d ?
N(1) 0.58356(12) 0.2500 0.97793(7) 0.0436(2) 0.500 S Uani d ?
N(2) 0.57346(11) 0.2500 0.80609(6) 0.0396(2) 0.500 S Uani d ?
C(1) 0.4735(1) 0.2500 0.87969(8) 0.0471(3) 0.500 S Uani d ?
C(2) 0.7739(1) 0.2500 1.00455(8) 0.0403(3) 0.500 S Uani d ?
C(3) 0.8670(1) 0.2500 0.92964(8) 0.0417(3) 0.500 S Uani d ?
C(4) 0.7657(1) 0.2500 0.82921(8) 0.0410(3) 0.500 S Uani d ?
C(5) 0.8686(2) 0.2500 1.11530(9) 0.0543(3) 0.500 S Uani d ?
C(6) 0.8570(2) 0.2500 0.74445(10) 0.0606(4) 0.500 S Uani d ?
C(7) 0.4578(1) 0.2500 0.70112(8) 0.0436(3) 0.500 S Uani d ?
C(8) 0.4028(2) 0.0717(2) 0.65378(7) 0.0685(3) 1.000 . Uani d ?
C(9) 0.2919(2) 0.0722(2) 0.55401(8) 0.0768(3) 1.000 . Uani d ?
C(10) 0.2380(2) 0.2500 0.50635(9) 0.0590(4) 0.500 S Uani d ?
H(1) 0.525(2) 0.2500 1.0286(11) 0.064(4) 0.500 S Uiso d ?
H(2) 0.817(2) 0.154(2) 1.1512(8) 0.108(5) 1.000 . Uiso d ?
H(3) 0.992(2) 0.2500 1.1277(10) 0.062(4) 0.500 S Uiso d ?
H(4) 0.995(2) 0.2500 0.9479(8) 0.049(3) 0.500 S Uiso d ?
H(5) 0.984(2) 0.2500 0.7646(11) 0.072(4) 0.500 S Uiso d ?
H(6) 0.814(2) 0.139(2) 0.7012(8) 0.096(4) 1.000 . Uiso d ?
H(7) 0.439(2) -0.051(2) 0.6914(8) 0.098(4) 1.000 . Uiso d ?
H(8) 0.255(2) -0.053(2) 0.5211(8) 0.104(4) 1.000 . 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 24 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 4 0.132 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
? ? ?
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
C5 CL1 C6 67.30(4) 1_454 1_454 1_454 ?
C5 CL1 C6 67.26(4) 1_454 1_454 1_454 ?
C5 CL1 C8 161.07(3) 1_454 1_454 1_454 ?
C5 CL1 C8 161.07(3) 1_454 1_454 1_454 ?
C5 CL1 C9 152.73(4) 1_454 1_454 1_454 ?
C5 CL1 C9 152.72(4) 1_454 1_454 1_454 ?
C5 CL1 C9 93.01(4) 1_454 1_454 1_454 ?
C5 CL1 C9 93.03(4) 1_454 1_454 1_454 ?
C5 CL1 C10 172.39(10) 1_454 1_454 1_454 ?
C5 CL1 H2 15.1(4) 1_454 1_454 1_454 no
C5 CL1 H2 15.1(4) 1_454 1_454 1_454 no
C5 CL1 H3 13.9(4) 1_454 1_454 1_454 no
C5 CL1 H5 60.4(3) 1_454 1_454 1_454 no
C5 CL1 H5 60.4(3) 1_454 1_454 1_454 no
C5 CL1 H6 72.7(3) 1_454 1_454 1_454 no
C5 CL1 H6 72.8(3) 1_454 1_454 1_454 no
C5 CL1 H7 87.1(3) 1_454 1_454 1_454 no
C5 CL1 H7 87.1(3) 1_454 1_454 1_454 no
C5 CL1 H8 133.4(5) 1_454 1_454 1_454 no
C5 CL1 H8 133.4(5) 1_454 1_454 1_454 no
C5 CL1 H8 101.0(3) 1_454 1_454 1_454 no
C5 CL1 H8 101.0(3) 1_454 1_454 1_454 no
C6 CL1 C6 122.36(6) 2_646 2_646 2_646 ?
C6 CL1 C8 93.82(4) 2_646 2_646 2_646 ?
C6 CL1 C8 126.21(5) 2_646 2_646 2_646 ?
C6 CL1 C9 85.46(5) 2_646 2_646 2_646 ?
C6 CL1 C9 134.10(6) 2_646 2_646 2_646 ?
C6 CL1 C9 138.42(5) 2_646 2_646 2_646 ?
C6 CL1 C9 76.76(5) 2_646 2_646 2_646 ?
C6 CL1 C10 110.14(5) 2_646 2_646 2_646 ?
C6 CL1 H2 60.8(4) 2_646 2_646 2_646 no
C6 CL1 H2 81.2(4) 2_646 2_646 2_646 no
C6 CL1 H3 63.64(9) 2_646 2_646 2_646 no
C6 CL1 H5 13.5(4) 2_646 2_646 2_646 no
C6 CL1 H5 123.0(3) 2_646 2_646 2_646 no
C6 CL1 H6 122.7(3) 2_646 2_646 2_646 no
C6 CL1 H6 7.5(3) 2_646 2_646 2_646 no
C6 CL1 H7 90.0(3) 2_646 2_646 2_646 no
C6 CL1 H7 54.3(3) 2_646 2_646 2_646 no
C6 CL1 H8 66.9(5) 2_646 2_646 2_646 no
C6 CL1 H8 150.4(5) 2_646 2_646 2_646 no
C6 CL1 H8 131.9(4) 2_646 2_646 2_646 no
C6 CL1 H8 90.1(4) 2_646 2_646 2_646 no
C6 CL1 C8 126.25(5) 2_656 2_656 2_656 ?
C6 CL1 C8 93.86(4) 2_656 2_656 2_656 ?
C6 CL1 C9 134.14(6) 2_656 2_656 2_656 ?
C6 CL1 C9 85.49(5) 2_656 2_656 2_656 ?
C6 CL1 C9 76.75(5) 2_656 2_656 2_656 ?
C6 CL1 C9 138.41(5) 2_656 2_656 2_656 ?
C6 CL1 C10 110.18(5) 2_656 2_656 2_656 ?
C6 CL1 H2 81.1(4) 2_656 2_656 2_656 no
C6 CL1 H2 60.7(4) 2_656 2_656 2_656 no
C6 CL1 H3 63.61(9) 2_656 2_656 2_656 no
C6 CL1 H5 123.0(3) 2_656 2_656 2_656 no
C6 CL1 H5 13.5(4) 2_656 2_656 2_656 no
C6 CL1 H6 7.5(3) 2_656 2_656 2_656 no
C6 CL1 H6 122.7(3) 2_656 2_656 2_656 no
C6 CL1 H7 54.3(3) 2_656 2_656 2_656 no
C6 CL1 H7 90.0(3) 2_656 2_656 2_656 no
C6 CL1 H8 150.4(5) 2_656 2_656 2_656 no
C6 CL1 H8 66.9(5) 2_656 2_656 2_656 no
C6 CL1 H8 90.1(4) 2_656 2_656 2_656 no
C6 CL1 H8 131.9(4) 2_656 2_656 2_656 no
C8 CL1 C8 34.81(5) . . . ?
C8 CL1 C9 8.85(4) . . . ?
C8 CL1 C9 43.66(5) . . . ?
C8 CL1 C9 102.78(4) . . . ?
C8 CL1 C9 83.53(4) . . . ?
C8 CL1 C10 17.40(3) . . . ?
C8 CL1 H2 151.4(4) . . . no
C8 CL1 H2 173.0(4) . . . no
C8 CL1 H3 152.6(3) . . . no
C8 CL1 H5 101.4(3) . . . no
C8 CL1 H5 135.8(3) . . . no
C8 CL1 H6 119.6(3) . . . no
C8 CL1 H6 88.3(3) . . . no
C8 CL1 H7 91.7(3) . . . no
C8 CL1 H7 80.2(3) . . . no
C8 CL1 H8 28.7(5) . . . no
C8 CL1 H8 63.5(5) . . . no
C8 CL1 H8 92.7(3) . . . no
C8 CL1 H8 79.6(3) . . . no
C8 CL1 C9 43.65(5) 4 4 4 ?
C8 CL1 C9 8.85(4) 4 4 4 ?
C8 CL1 C9 83.55(4) 4 4 4 ?
C8 CL1 C9 102.76(4) 4 4 4 ?
C8 CL1 C10 17.41(3) 4 4 4 ?
C8 CL1 H2 173.0(4) 4 4 4 no
C8 CL1 H2 151.4(4) 4 4 4 no
C8 CL1 H3 152.6(3) 4 4 4 no
C8 CL1 H5 135.7(3) 4 4 4 no
C8 CL1 H5 101.5(3) 4 4 4 no
C8 CL1 H6 88.4(3) 4 4 4 no
C8 CL1 H6 119.6(3) 4 4 4 no
C8 CL1 H7 80.3(3) 4 4 4 no
C8 CL1 H7 91.7(3) 4 4 4 no
C8 CL1 H8 63.5(5) 4 4 4 no
C8 CL1 H8 28.7(5) 4 4 4 no
C8 CL1 H8 79.6(3) 4 4 4 no
C8 CL1 H8 92.7(3) 4 4 4 no
C9 CL1 C9 52.51(8) . . . ?
C9 CL1 C9 107.42(5) . . . ?
C9 CL1 C9 78.79(6) . . . ?
C9 CL1 C10 26.25(4) . . . ?
C9 CL1 H2 142.6(4) . . . no
C9 CL1 H2 164.5(4) . . . no
C9 CL1 H3 146.5(3) . . . no
C9 CL1 H5 92.7(3) . . . no
C9 CL1 H5 144.3(3) . . . no
C9 CL1 H6 127.2(3) . . . no
C9 CL1 H6 80.3(3) . . . no
C9 CL1 H7 94.6(3) . . . no
C9 CL1 H7 77.6(3) . . . no
C9 CL1 H8 19.8(5) . . . no
C9 CL1 H8 72.3(5) . . . no
C9 CL1 H8 96.2(3) . . . no
C9 CL1 H8 76.8(3) . . . no
C9 CL1 C9 78.81(6) 4 4 4 ?
C9 CL1 C9 107.39(5) 4 4 4 ?
C9 CL1 C10 26.26(4) 4 4 4 ?
C9 CL1 H2 164.5(4) 4 4 4 no
C9 CL1 H2 142.6(4) 4 4 4 no
C9 CL1 H3 146.5(3) 4 4 4 no
C9 CL1 H5 144.3(3) 4 4 4 no
C9 CL1 H5 92.7(3) 4 4 4 no
C9 CL1 H6 80.3(3) 4 4 4 no
C9 CL1 H6 127.2(3) 4 4 4 no
C9 CL1 H7 77.6(3) 4 4 4 no
C9 CL1 H7 94.6(3) 4 4 4 no
C9 CL1 H8 72.3(5) 4 4 4 no
C9 CL1 H8 19.8(5) 4 4 4 no
C9 CL1 H8 76.8(3) 4 4 4 no
C9 CL1 H8 96.2(3) 4 4 4 no
C9 CL1 C9 67.78(6) 2_556 2_556 2_556 ?
C9 CL1 C10 93.30(8) 2_556 2_556 2_556 ?
C9 CL1 H2 90.5(3) 2_556 2_556 2_556 no
C9 CL1 H2 78.3(4) 2_556 2_556 2_556 no
C9 CL1 H3 104.5(4) 2_556 2_556 2_556 no
C9 CL1 H5 125.2(4) 2_556 2_556 2_556 no
C9 CL1 H5 67.1(4) 2_556 2_556 2_556 no
C9 CL1 H6 81.2(4) 2_556 2_556 2_556 no
C9 CL1 H6 145.2(4) 2_556 2_556 2_556 no
C9 CL1 H7 126.7(4) 2_556 2_556 2_556 no
C9 CL1 H7 165.5(4) 2_556 2_556 2_556 no
C9 CL1 H8 116.3(4) 2_556 2_556 2_556 no
C9 CL1 H8 68.9(4) 2_556 2_556 2_556 no
C9 CL1 H8 13.6(4) 2_556 2_556 2_556 no
C9 CL1 H8 56.8(4) 2_556 2_556 2_556 no
C9 CL1 C10 93.28(8) 3_556 3_556 3_556 ?
C9 CL1 H2 78.3(4) 3_556 3_556 3_556 no
C9 CL1 H2 90.6(3) 3_556 3_556 3_556 no
C9 CL1 H3 104.5(4) 3_556 3_556 3_556 no
C9 CL1 H5 67.1(4) 3_556 3_556 3_556 no
C9 CL1 H5 125.2(4) 3_556 3_556 3_556 no
C9 CL1 H6 145.2(4) 3_556 3_556 3_556 no
C9 CL1 H6 81.2(4) 3_556 3_556 3_556 no
C9 CL1 H7 165.5(4) 3_556 3_556 3_556 no
C9 CL1 H7 126.7(4) 3_556 3_556 3_556 no
C9 CL1 H8 68.8(4) 3_556 3_556 3_556 no
C9 CL1 H8 116.3(4) 3_556 3_556 3_556 no
C9 CL1 H8 56.8(4) 3_556 3_556 3_556 no
C9 CL1 H8 13.6(4) 3_556 3_556 3_556 no
C10 CL1 H2 168.6(4) . . . no
C10 CL1 H2 168.6(4) . . . no
C10 CL1 H3 158.5(4) . . . no
C10 CL1 H5 118.6(3) . . . no
C10 CL1 H5 118.6(3) . . . no
C10 CL1 H6 104.1(3) . . . no
C10 CL1 H6 104.1(3) . . . no
C10 CL1 H7 85.8(3) . . . no
C10 CL1 H7 85.8(3) . . . no
C10 CL1 H8 46.1(5) . . . no
C10 CL1 H8 46.1(5) . . . no
C10 CL1 H8 86.1(3) . . . no
C10 CL1 H8 86.0(3) . . . no
H2 CL1 H2 22.0(8) 1_454 1_454 1_454 no
H2 CL1 H3 26.6(5) 1_454 1_454 1_454 no
H2 CL1 H5 51.1(5) 1_454 1_454 1_454 no
H2 CL1 H5 72.7(5) 1_454 1_454 1_454 no
H2 CL1 H6 87.1(5) 1_454 1_454 1_454 no
H2 CL1 H6 67.4(5) 1_454 1_454 1_454 no
H2 CL1 H7 100.5(4) 1_454 1_454 1_454 no
H2 CL1 H7 93.1(4) 1_454 1_454 1_454 no
H2 CL1 H8 122.9(6) 1_454 1_454 1_454 no
H2 CL1 H8 144.8(6) 1_454 1_454 1_454 no
H2 CL1 H8 95.4(5) 1_454 1_454 1_454 no
H2 CL1 H8 87.1(5) 1_454 1_454 1_454 no
H2 CL1 H3 26.6(5) 4_454 4_454 4_454 no
H2 CL1 H5 72.7(5) 4_454 4_454 4_454 no
H2 CL1 H5 51.1(5) 4_454 4_454 4_454 no
H2 CL1 H6 67.3(5) 4_454 4_454 4_454 no
H2 CL1 H6 87.1(5) 4_454 4_454 4_454 no
H2 CL1 H7 93.1(4) 4_454 4_454 4_454 no
H2 CL1 H7 100.5(4) 4_454 4_454 4_454 no
H2 CL1 H8 144.9(6) 4_454 4_454 4_454 no
H2 CL1 H8 122.8(6) 4_454 4_454 4_454 no
H2 CL1 H8 87.1(5) 4_454 4_454 4_454 no
H2 CL1 H8 95.5(5) 4_454 4_454 4_454 no
H3 CL1 H5 60.1(3) 1_454 1_454 1_454 no
H3 CL1 H5 60.0(3) 1_454 1_454 1_454 no
H3 CL1 H6 67.6(4) 1_454 1_454 1_454 no
H3 CL1 H6 67.7(4) 1_454 1_454 1_454 no
H3 CL1 H7 74.0(5) 1_454 1_454 1_454 no
H3 CL1 H7 74.0(5) 1_454 1_454 1_454 no
H3 CL1 H8 130.2(5) 1_454 1_454 1_454 no
H3 CL1 H8 130.1(5) 1_454 1_454 1_454 no
H3 CL1 H8 113.7(5) 1_454 1_454 1_454 no
H3 CL1 H8 113.7(5) 1_454 1_454 1_454 no
H5 CL1 H5 119.9(6) 2_646 2_646 2_646 no
H5 CL1 H6 125.4(4) 2_646 2_646 2_646 no
H5 CL1 H6 20.9(5) 2_646 2_646 2_646 no
H5 CL1 H7 100.7(5) 2_646 2_646 2_646 no
H5 CL1 H7 67.1(5) 2_646 2_646 2_646 no
H5 CL1 H8 73.1(6) 2_646 2_646 2_646 no
H5 CL1 H8 162.9(6) 2_646 2_646 2_646 no
H5 CL1 H8 119.8(6) 2_646 2_646 2_646 no
H5 CL1 H8 80.7(5) 2_646 2_646 2_646 no
H5 CL1 H6 20.9(5) 2_656 2_656 2_656 no
H5 CL1 H6 125.4(4) 2_656 2_656 2_656 no
H5 CL1 H7 67.1(5) 2_656 2_656 2_656 no
H5 CL1 H7 100.8(5) 2_656 2_656 2_656 no
H5 CL1 H8 162.9(6) 2_656 2_656 2_656 no
H5 CL1 H8 73.1(6) 2_656 2_656 2_656 no
H5 CL1 H8 80.7(5) 2_656 2_656 2_656 no
H5 CL1 H8 119.8(6) 2_656 2_656 2_656 no
H6 CL1 H6 121.9(7) 2_656 2_656 2_656 no
H6 CL1 H7 48.1(5) 2_656 2_656 2_656 no
H6 CL1 H7 85.1(5) 2_656 2_656 2_656 no
H6 CL1 H8 142.9(6) 2_656 2_656 2_656 no
H6 CL1 H8 62.5(6) 2_656 2_656 2_656 no
H6 CL1 H8 94.1(5) 2_656 2_656 2_656 no
H6 CL1 H8 137.4(6) 2_656 2_656 2_656 no
H6 CL1 H7 85.0(5) 3_656 3_656 3_656 no
H6 CL1 H7 48.1(5) 3_656 3_656 3_656 no
H6 CL1 H8 62.5(6) 3_656 3_656 3_656 no
H6 CL1 H8 142.9(6) 3_656 3_656 3_656 no
H6 CL1 H8 137.5(6) 3_656 3_656 3_656 no
H6 CL1 H8 94.1(5) 3_656 3_656 3_656 no
H7 CL1 H7 38.9(7) 2_656 2_656 2_656 no
H7 CL1 H8 100.8(5) 2_656 2_656 2_656 no
H7 CL1 H8 73.0(5) 2_656 2_656 2_656 no
H7 CL1 H8 137.4(6) 2_656 2_656 2_656 no
H7 CL1 H8 171.3(4) 2_656 2_656 2_656 no
H7 CL1 H8 73.0(5) 3_656 3_656 3_656 no
H7 CL1 H8 100.8(5) 3_656 3_656 3_656 no
H7 CL1 H8 171.3(4) 3_656 3_656 3_656 no
H7 CL1 H8 137.4(6) 3_656 3_656 3_656 no
H8 CL1 H8 92.2(9) . . . no
H8 CL1 H8 103.1(4) . . . no
H8 CL1 H8 71.3(6) . . . no
H8 CL1 H8 71.3(6) 4 4 4 no
H8 CL1 H8 103.1(4) 4 4 4 no
H8 CL1 H8 44.7(8) 2_556 2_556 2_556 no
O1 CL2 N1 64.08(3) 2_647 2_647 2_647 ?
O1 CL2 N1 64.04(3) 2_647 2_647 2_647 ?
O1 CL2 N1 37.22(3) 2_647 2_647 2_647 ?
O1 CL2 N2 101.36(3) 2_647 2_647 2_647 ?
O1 CL2 N2 101.32(3) 2_647 2_647 2_647 ?
O1 CL2 C1 83.25(4) 2_647 2_647 2_647 ?
O1 CL2 C1 83.21(4) 2_647 2_647 2_647 ?
O1 CL2 C1 18.41(3) 2_647 2_647 2_647 ?
O1 CL2 C2 62.03(3) 2_647 2_647 2_647 ?
O1 CL2 C2 62.00(3) 2_647 2_647 2_647 ?
O1 CL2 C2 54.88(3) 2_647 2_647 2_647 ?
O1 CL2 C3 79.00(3) 2_647 2_647 2_647 ?
O1 CL2 C3 78.96(3) 2_647 2_647 2_647 ?
O1 CL2 C4 98.79(3) 2_647 2_647 2_647 ?
O1 CL2 C4 98.75(3) 2_647 2_647 2_647 ?
O1 CL2 C5 77.44(4) 2_647 2_647 2_647 ?
O1 CL2 C5 92.15(4) 2_647 2_647 2_647 ?
O1 CL2 C7 119.80(3) 2_647 2_647 2_647 ?
O1 CL2 C7 119.77(3) 2_647 2_647 2_647 ?
O1 CL2 C8 136.06(3) 2_647 2_647 2_647 ?
O1 CL2 C8 136.04(3) 2_647 2_647 2_647 ?
O1 CL2 H1 38.1(6) 2_647 2_647 2_647 no
O1 CL2 H2 85.2(3) 2_647 2_647 2_647 no
O1 CL2 H2 85.2(3) 2_647 2_647 2_647 no
O1 CL2 H3 93.9(5) 2_647 2_647 2_647 no
O1 CL2 H4 46.8(3) 2_647 2_647 2_647 no
O1 CL2 H6 127.0(3) 2_647 2_647 2_647 no
O1 CL2 H6 127.0(3) 2_647 2_647 2_647 no
O1 CL2 H7 141.1(4) 2_647 2_647 2_647 no
O1 CL2 H7 141.1(4) 2_647 2_647 2_647 no
N1 CL2 N1 125.30(5) . . . ?
N1 CL2 N1 64.33(3) . . . ?
N1 CL2 N2 37.50(3) . . . ?
N1 CL2 N2 160.43(4) . . . ?
N1 CL2 C1 21.39(3) . . . ?
N1 CL2 C1 137.53(4) . . . ?
N1 CL2 C1 62.66(3) . . . ?
N1 CL2 C2 20.16(3) . . . ?
N1 CL2 C2 125.90(4) . . . ?
N1 CL2 C2 68.50(3) . . . ?
N1 CL2 C3 36.12(4) . . . ?
N1 CL2 C3 139.54(4) . . . ?
N1 CL2 C4 43.38(4) . . . ?
N1 CL2 C4 160.90(4) . . . ?
N1 CL2 C5 76.57(3) . . . ?
N1 CL2 C5 99.02(3) . . . ?
N1 CL2 C7 56.08(3) . . . ?
N1 CL2 C7 158.05(3) . . . ?
N1 CL2 C8 74.46(4) . . . ?
N1 CL2 C8 143.15(4) . . . ?
N1 CL2 H1 64.48(11) . . . no
N1 CL2 H2 90.0(4) . . . no
N1 CL2 H2 69.7(4) . . . no
N1 CL2 H3 99.8(2) . . . no
N1 CL2 H4 78.7(1) . . . no
N1 CL2 H6 74.1(3) . . . no
N1 CL2 H6 157.1(3) . . . no
N1 CL2 H7 81.2(5) . . . no
N1 CL2 H7 136.4(5) . . . no
N1 CL2 N1 64.32(3) 1_545 1_545 1_545 ?
N1 CL2 N2 160.43(4) 1_545 1_545 1_545 ?
N1 CL2 N2 37.50(3) 1_545 1_545 1_545 ?
N1 CL2 C1 137.53(4) 1_545 1_545 1_545 ?
N1 CL2 C1 21.39(3) 1_545 1_545 1_545 ?
N1 CL2 C1 62.64(3) 1_545 1_545 1_545 ?
N1 CL2 C2 125.89(4) 1_545 1_545 1_545 ?
N1 CL2 C2 20.16(3) 1_545 1_545 1_545 ?
N1 CL2 C2 68.50(3) 1_545 1_545 1_545 ?
N1 CL2 C3 139.54(4) 1_545 1_545 1_545 ?
N1 CL2 C3 36.11(4) 1_545 1_545 1_545 ?
N1 CL2 C4 160.90(4) 1_545 1_545 1_545 ?
N1 CL2 C4 43.38(4) 1_545 1_545 1_545 ?
N1 CL2 C5 76.59(3) 1_545 1_545 1_545 ?
N1 CL2 C5 99.00(3) 1_545 1_545 1_545 ?
N1 CL2 C7 158.06(3) 1_545 1_545 1_545 ?
N1 CL2 C7 56.08(3) 1_545 1_545 1_545 ?
N1 CL2 C8 143.18(4) 1_545 1_545 1_545 ?
N1 CL2 C8 74.48(4) 1_545 1_545 1_545 ?
N1 CL2 H1 64.47(11) 1_545 1_545 1_545 no
N1 CL2 H2 69.7(4) 1_545 1_545 1_545 no
N1 CL2 H2 90.0(4) 1_545 1_545 1_545 no
N1 CL2 H3 99.8(2) 1_545 1_545 1_545 no
N1 CL2 H4 78.6(1) 1_545 1_545 1_545 no
N1 CL2 H6 157.1(3) 1_545 1_545 1_545 no
N1 CL2 H6 74.1(3) 1_545 1_545 1_545 no
N1 CL2 H7 136.5(5) 1_545 1_545 1_545 no
N1 CL2 H7 81.2(5) 1_545 1_545 1_545 no
N1 CL2 N2 96.13(3) 2_647 2_647 2_647 ?
N1 CL2 N2 96.12(3) 2_647 2_647 2_647 ?
N1 CL2 C1 73.24(3) 2_647 2_647 2_647 ?
N1 CL2 C1 73.22(3) 2_647 2_647 2_647 ?
N1 CL2 C1 18.81(3) 2_647 2_647 2_647 ?
N1 CL2 C2 75.62(3) 2_647 2_647 2_647 ?
N1 CL2 C2 75.61(3) 2_647 2_647 2_647 ?
N1 CL2 C2 17.66(3) 2_647 2_647 2_647 ?
N1 CL2 C3 96.15(4) 2_647 2_647 2_647 ?
N1 CL2 C3 96.14(4) 2_647 2_647 2_647 ?
N1 CL2 C4 107.71(3) 2_647 2_647 2_647 ?
N1 CL2 C4 107.69(3) 2_647 2_647 2_647 ?
N1 CL2 C5 40.22(4) 2_647 2_647 2_647 ?
N1 CL2 C5 129.37(4) 2_647 2_647 2_647 ?
N1 CL2 C7 104.79(3) 2_647 2_647 2_647 ?
N1 CL2 C7 104.78(3) 2_647 2_647 2_647 ?
N1 CL2 C8 111.33(4) 2_647 2_647 2_647 ?
N1 CL2 C8 111.32(4) 2_647 2_647 2_647 ?
N1 CL2 H1 0.9(6) 2_647 2_647 2_647 no
N1 CL2 H2 48.8(3) 2_647 2_647 2_647 no
N1 CL2 H2 48.9(3) 2_647 2_647 2_647 no
N1 CL2 H3 131.1(5) 2_647 2_647 2_647 no
N1 CL2 H4 84.0(3) 2_647 2_647 2_647 no
N1 CL2 H6 137.7(3) 2_647 2_647 2_647 no
N1 CL2 H6 137.7(3) 2_647 2_647 2_647 no
N1 CL2 H7 112.6(4) 2_647 2_647 2_647 no
N1 CL2 H7 112.6(4) 2_647 2_647 2_647 no
N2 CL2 N2 155.37(5) . . . ?
N2 CL2 C1 22.90(4) . . . ?
N2 CL2 C1 156.12(4) . . . ?
N2 CL2 C1 99.25(3) . . . ?
N2 CL2 C2 43.17(3) . . . ?
N2 CL2 C2 161.46(3) . . . ?
N2 CL2 C2 92.62(3) . . . ?
N2 CL2 C3 37.84(3) . . . ?
N2 CL2 C3 159.34(4) . . . ?
N2 CL2 C4 22.41(3) . . . ?
N2 CL2 C4 156.12(4) . . . ?
N2 CL2 C5 87.83(3) . . . ?
N2 CL2 C5 94.32(3) . . . ?
N2 CL2 C7 20.95(3) . . . ?
N2 CL2 C7 134.43(3) . . . ?
N2 CL2 C8 40.73(4) . . . ?
N2 CL2 C8 114.65(4) . . . ?
N2 CL2 H1 95.97(12) . . . no
N2 CL2 H2 97.3(4) . . . no
N2 CL2 H2 75.2(4) . . . no
N2 CL2 H3 93.97(10) . . . no
N2 CL2 H4 101.25(4) . . . no
N2 CL2 H6 42.2(3) . . . no
N2 CL2 H6 125.1(3) . . . no
N2 CL2 H7 48.1(5) . . . no
N2 CL2 H7 107.3(5) . . . no
N2 CL2 C1 156.12(4) 1_545 1_545 1_545 ?
N2 CL2 C1 22.90(4) 1_545 1_545 1_545 ?
N2 CL2 C1 99.22(3) 1_545 1_545 1_545 ?
N2 CL2 C2 161.45(3) 1_545 1_545 1_545 ?
N2 CL2 C2 43.16(3) 1_545 1_545 1_545 ?
N2 CL2 C2 92.62(3) 1_545 1_545 1_545 ?
N2 CL2 C3 159.34(4) 1_545 1_545 1_545 ?
N2 CL2 C3 37.83(3) 1_545 1_545 1_545 ?
N2 CL2 C4 156.11(4) 1_545 1_545 1_545 ?
N2 CL2 C4 22.41(3) 1_545 1_545 1_545 ?
N2 CL2 C5 87.84(3) 1_545 1_545 1_545 ?
N2 CL2 C5 94.29(3) 1_545 1_545 1_545 ?
N2 CL2 C7 134.45(3) 1_545 1_545 1_545 ?
N2 CL2 C7 20.96(3) 1_545 1_545 1_545 ?
N2 CL2 C8 114.68(4) 1_545 1_545 1_545 ?
N2 CL2 C8 40.76(4) 1_545 1_545 1_545 ?
N2 CL2 H1 95.95(12) 1_545 1_545 1_545 no
N2 CL2 H2 75.2(4) 1_545 1_545 1_545 no
N2 CL2 H2 97.3(4) 1_545 1_545 1_545 no
N2 CL2 H3 93.95(10) 1_545 1_545 1_545 no
N2 CL2 H4 101.21(4) 1_545 1_545 1_545 no
N2 CL2 H6 125.1(3) 1_545 1_545 1_545 no
N2 CL2 H6 42.2(3) 1_545 1_545 1_545 no
N2 CL2 H7 107.3(5) 1_545 1_545 1_545 no
N2 CL2 H7 48.1(5) 1_545 1_545 1_545 no
C1 CL2 C1 139.90(6) . . . ?
C1 CL2 C1 77.69(3) . . . ?
C1 CL2 C2 37.34(3) . . . ?
C1 CL2 C2 144.87(4) . . . ?
C1 CL2 C2 70.66(3) . . . ?
C1 CL2 C3 44.44(4) . . . ?
C1 CL2 C3 160.91(4) . . . ?
C1 CL2 C4 39.74(4) . . . ?
C1 CL2 C4 177.71(4) . . . ?
C1 CL2 C5 70.12(3) . . . ?
C1 CL2 C5 109.05(3) . . . ?
C1 CL2 C7 36.70(4) . . . ?
C1 CL2 C7 140.29(4) . . . ?
C1 CL2 C8 53.72(4) . . . ?
C1 CL2 C8 122.54(4) . . . ?
C1 CL2 H1 73.07(12) . . . no
C1 CL2 H2 81.9(4) . . . no
C1 CL2 H2 59.5(4) . . . no
C1 CL2 H3 109.23(6) . . . no
C1 CL2 H4 98.89(11) . . . no
C1 CL2 H6 65.0(3) . . . no
C1 CL2 H6 147.3(3) . . . no
C1 CL2 H7 60.2(5) . . . no
C1 CL2 H7 115.5(5) . . . no
C1 CL2 C1 77.66(3) 1_545 1_545 1_545 ?
C1 CL2 C2 144.86(4) 1_545 1_545 1_545 ?
C1 CL2 C2 37.33(3) 1_545 1_545 1_545 ?
C1 CL2 C2 70.66(3) 1_545 1_545 1_545 ?
C1 CL2 C3 160.90(4) 1_545 1_545 1_545 ?
C1 CL2 C3 44.43(4) 1_545 1_545 1_545 ?
C1 CL2 C4 177.71(4) 1_545 1_545 1_545 ?
C1 CL2 C4 39.75(4) 1_545 1_545 1_545 ?
C1 CL2 C5 70.14(3) 1_545 1_545 1_545 ?
C1 CL2 C5 109.02(3) 1_545 1_545 1_545 ?
C1 CL2 C7 140.30(4) 1_545 1_545 1_545 ?
C1 CL2 C7 36.71(4) 1_545 1_545 1_545 ?
C1 CL2 C8 122.57(4) 1_545 1_545 1_545 ?
C1 CL2 C8 53.74(4) 1_545 1_545 1_545 ?
C1 CL2 H1 73.05(12) 1_545 1_545 1_545 no
C1 CL2 H2 59.5(4) 1_545 1_545 1_545 no
C1 CL2 H2 81.9(4) 1_545 1_545 1_545 no
C1 CL2 H3 109.21(6) 1_545 1_545 1_545 no
C1 CL2 H4 98.84(11) 1_545 1_545 1_545 no
C1 CL2 H6 147.3(3) 1_545 1_545 1_545 no
C1 CL2 H6 65.0(3) 1_545 1_545 1_545 no
C1 CL2 H7 115.5(5) 1_545 1_545 1_545 no
C1 CL2 H7 60.2(5) 1_545 1_545 1_545 no
C1 CL2 C2 67.69(3) 2_647 2_647 2_647 ?
C1 CL2 C2 67.67(3) 2_647 2_647 2_647 ?
C1 CL2 C2 36.47(4) 2_647 2_647 2_647 ?
C1 CL2 C3 87.38(4) 2_647 2_647 2_647 ?
C1 CL2 C3 87.35(4) 2_647 2_647 2_647 ?
C1 CL2 C4 103.90(3) 2_647 2_647 2_647 ?
C1 CL2 C4 103.87(3) 2_647 2_647 2_647 ?
C1 CL2 C5 59.04(4) 2_647 2_647 2_647 ?
C1 CL2 C5 110.55(4) 2_647 2_647 2_647 ?
C1 CL2 C7 113.47(3) 2_647 2_647 2_647 ?
C1 CL2 C7 113.45(3) 2_647 2_647 2_647 ?
C1 CL2 C8 125.01(4) 2_647 2_647 2_647 ?
C1 CL2 C8 125.00(4) 2_647 2_647 2_647 ?
C1 CL2 H1 19.7(6) 2_647 2_647 2_647 no
C1 CL2 H2 67.1(3) 2_647 2_647 2_647 no
C1 CL2 H2 67.1(3) 2_647 2_647 2_647 no
C1 CL2 H3 112.3(5) 2_647 2_647 2_647 no
C1 CL2 H4 65.2(3) 2_647 2_647 2_647 no
C1 CL2 H6 135.0(3) 2_647 2_647 2_647 no
C1 CL2 H6 134.9(3) 2_647 2_647 2_647 no
C1 CL2 H7 128.0(4) 2_647 2_647 2_647 no
C1 CL2 H7 128.0(4) 2_647 2_647 2_647 no
C2 CL2 C2 118.30(4) . . . ?
C2 CL2 C2 84.22(3) . . . ?
C2 CL2 C3 20.54(4) . . . ?
C2 CL2 C3 125.43(4) . . . ?
C2 CL2 C4 36.98(4) . . . ?
C2 CL2 C4 144.78(4) . . . ?
C2 CL2 C5 95.73(3) . . . ?
C2 CL2 C5 79.10(3) . . . ?
C2 CL2 C7 64.10(3) . . . ?
C2 CL2 C7 177.51(3) . . . ?
C2 CL2 C8 83.87(4) . . . ?
C2 CL2 C8 157.77(3) . . . ?
C2 CL2 H1 76.0(3) . . . no
C2 CL2 H2 109.3(4) . . . no
C2 CL2 H2 89.7(4) . . . no
C2 CL2 H3 79.9(2) . . . no
C2 CL2 H4 61.85(8) . . . no
C2 CL2 H6 67.4(3) . . . no
C2 CL2 H6 140.4(3) . . . no
C2 CL2 H7 91.2(5) . . . no
C2 CL2 H7 150.4(5) . . . no
C2 CL2 C2 84.22(3) 1_545 1_545 1_545 ?
C2 CL2 C3 125.43(4) 1_545 1_545 1_545 ?
C2 CL2 C3 20.53(4) 1_545 1_545 1_545 ?
C2 CL2 C4 144.79(4) 1_545 1_545 1_545 ?
C2 CL2 C4 36.97(4) 1_545 1_545 1_545 ?
C2 CL2 C5 95.75(3) 1_545 1_545 1_545 ?
C2 CL2 C5 79.08(3) 1_545 1_545 1_545 ?
C2 CL2 C7 177.51(3) 1_545 1_545 1_545 ?
C2 CL2 C7 64.10(3) 1_545 1_545 1_545 ?
C2 CL2 C8 157.79(3) 1_545 1_545 1_545 ?
C2 CL2 C8 83.89(4) 1_545 1_545 1_545 ?
C2 CL2 H1 76.0(3) 1_545 1_545 1_545 no
C2 CL2 H2 89.7(4) 1_545 1_545 1_545 no
C2 CL2 H2 109.3(4) 1_545 1_545 1_545 no
C2 CL2 H3 79.9(2) 1_545 1_545 1_545 no
C2 CL2 H4 61.82(8) 1_545 1_545 1_545 no
C2 CL2 H6 140.5(3) 1_545 1_545 1_545 no
C2 CL2 H6 67.4(3) 1_545 1_545 1_545 no
C2 CL2 H7 150.4(5) 1_545 1_545 1_545 no
C2 CL2 H7 91.2(5) 1_545 1_545 1_545 no
C2 CL2 C3 103.92(3) 2_647 2_647 2_647 ?
C2 CL2 C3 103.92(3) 2_647 2_647 2_647 ?
C2 CL2 C4 109.55(3) 2_647 2_647 2_647 ?
C2 CL2 C4 109.55(3) 2_647 2_647 2_647 ?
C2 CL2 C5 22.57(4) 2_647 2_647 2_647 ?
C2 CL2 C5 147.02(4) 2_647 2_647 2_647 ?
C2 CL2 C7 95.51(3) 2_647 2_647 2_647 ?
C2 CL2 C7 95.51(3) 2_647 2_647 2_647 ?
C2 CL2 C8 97.51(4) 2_647 2_647 2_647 ?
C2 CL2 C8 97.51(4) 2_647 2_647 2_647 ?
C2 CL2 H1 16.8(6) 2_647 2_647 2_647 no
C2 CL2 H2 32.0(3) 2_647 2_647 2_647 no
C2 CL2 H2 32.0(3) 2_647 2_647 2_647 no
C2 CL2 H3 148.8(5) 2_647 2_647 2_647 no
C2 CL2 H4 101.7(3) 2_647 2_647 2_647 no
C2 CL2 H6 134.3(3) 2_647 2_647 2_647 no
C2 CL2 H6 134.3(3) 2_647 2_647 2_647 no
C2 CL2 H7 97.5(4) 2_647 2_647 2_647 no
C2 CL2 H7 97.5(4) 2_647 2_647 2_647 no
C3 CL2 C3 124.02(5) . . . ?
C3 CL2 C4 21.37(4) . . . ?
C3 CL2 C4 136.95(4) . . . ?
C3 CL2 C5 112.13(3) . . . ?
C3 CL2 C5 65.10(3) . . . ?
C3 CL2 C7 57.04(3) . . . ?
C3 CL2 C7 158.89(4) . . . ?
C3 CL2 C8 75.82(4) . . . ?
C3 CL2 C8 144.79(4) . . . ?
C3 CL2 H1 96.6(3) . . . no
C3 CL2 H2 125.1(4) . . . no
C3 CL2 H2 103.3(4) . . . no
C3 CL2 H3 65.51(11) . . . no
C3 CL2 H4 63.70(6) . . . no
C3 CL2 H6 48.4(3) . . . no
C3 CL2 H6 121.7(3) . . . no
C3 CL2 H7 83.0(5) . . . no
C3 CL2 H7 138.7(5) . . . no
C3 CL2 C4 136.96(4) 1_545 1_545 1_545 ?
C3 CL2 C4 21.36(4) 1_545 1_545 1_545 ?
C3 CL2 C5 112.14(3) 1_545 1_545 1_545 ?
C3 CL2 C5 65.09(3) 1_545 1_545 1_545 ?
C3 CL2 C7 158.89(4) 1_545 1_545 1_545 ?
C3 CL2 C7 57.05(3) 1_545 1_545 1_545 ?
C3 CL2 C8 144.81(4) 1_545 1_545 1_545 ?
C3 CL2 C8 75.84(4) 1_545 1_545 1_545 ?
C3 CL2 H1 96.5(3) 1_545 1_545 1_545 no
C3 CL2 H2 103.3(4) 1_545 1_545 1_545 no
C3 CL2 H2 125.1(4) 1_545 1_545 1_545 no
C3 CL2 H3 65.49(11) 1_545 1_545 1_545 no
C3 CL2 H4 63.67(6) 1_545 1_545 1_545 no
C3 CL2 H6 121.7(3) 1_545 1_545 1_545 no
C3 CL2 H6 48.4(3) 1_545 1_545 1_545 no
C3 CL2 H7 138.7(5) 1_545 1_545 1_545 no
C3 CL2 H7 83.0(5) 1_545 1_545 1_545 no
C4 CL2 C4 140.47(5) . . . ?
C4 CL2 C5 109.13(3) . . . ?
C4 CL2 C5 72.11(3) . . . ?
C4 CL2 C7 37.56(3) . . . ?
C4 CL2 C7 141.37(4) . . . ?
C4 CL2 C8 55.17(4) . . . ?
C4 CL2 C8 124.09(4) . . . ?
C4 CL2 H1 107.84(10) . . . no
C4 CL2 H2 119.4(4) . . . no
C4 CL2 H2 97.1(4) . . . no
C4 CL2 H3 71.86(7) . . . no
C4 CL2 H4 83.37(11) . . . no
C4 CL2 H6 31.2(3) . . . no
C4 CL2 H6 114.3(3) . . . no
C4 CL2 H7 62.2(5) . . . no
C4 CL2 H7 117.6(5) . . . no
C4 CL2 C5 109.14(3) 1_545 1_545 1_545 ?
C4 CL2 C5 72.09(3) 1_545 1_545 1_545 ?
C4 CL2 C7 141.39(4) 1_545 1_545 1_545 ?
C4 CL2 C7 37.57(3) 1_545 1_545 1_545 ?
C4 CL2 C8 124.12(4) 1_545 1_545 1_545 ?
C4 CL2 C8 55.19(4) 1_545 1_545 1_545 ?
C4 CL2 H1 107.83(10) 1_545 1_545 1_545 no
C4 CL2 H2 97.1(4) 1_545 1_545 1_545 no
C4 CL2 H2 119.5(4) 1_545 1_545 1_545 no
C4 CL2 H3 71.84(7) 1_545 1_545 1_545 no
C4 CL2 H4 83.33(11) 1_545 1_545 1_545 no
C4 CL2 H6 114.3(3) 1_545 1_545 1_545 no
C4 CL2 H6 31.2(3) 1_545 1_545 1_545 no
C4 CL2 H7 117.6(5) 1_545 1_545 1_545 no
C4 CL2 H7 62.2(5) 1_545 1_545 1_545 no
C5 CL2 C5 169.59(6) 2_647 2_647 2_647 ?
C5 CL2 C7 83.19(3) 2_647 2_647 2_647 ?
C5 CL2 C7 83.20(3) 2_647 2_647 2_647 ?
C5 CL2 C8 79.52(4) 2_647 2_647 2_647 ?
C5 CL2 C8 79.53(4) 2_647 2_647 2_647 ?
C5 CL2 H1 39.3(6) 2_647 2_647 2_647 no
C5 CL2 H2 13.6(4) 2_647 2_647 2_647 no
C5 CL2 H2 13.6(4) 2_647 2_647 2_647 no
C5 CL2 H3 171.3(5) 2_647 2_647 2_647 no
C5 CL2 H4 124.3(3) 2_647 2_647 2_647 no
C5 CL2 H6 123.4(3) 2_647 2_647 2_647 no
C5 CL2 H6 123.4(3) 2_647 2_647 2_647 no
C5 CL2 H7 77.9(4) 2_647 2_647 2_647 no
C5 CL2 H7 77.9(4) 2_647 2_647 2_647 no
C5 CL2 C7 102.33(3) 2_747 2_747 2_747 ?
C5 CL2 C7 102.31(3) 2_747 2_747 2_747 ?
C5 CL2 C8 108.63(4) 2_747 2_747 2_747 ?
C5 CL2 C8 108.62(4) 2_747 2_747 2_747 ?
C5 CL2 H1 130.3(6) 2_747 2_747 2_747 no
C5 CL2 H2 168.4(4) 2_747 2_747 2_747 no
C5 CL2 H2 168.4(4) 2_747 2_747 2_747 no
C5 CL2 H3 1.7(5) 2_747 2_747 2_747 no
C5 CL2 H4 45.3(3) 2_747 2_747 2_747 no
C5 CL2 H6 63.1(3) 2_747 2_747 2_747 no
C5 CL2 H6 63.1(3) 2_747 2_747 2_747 no
C5 CL2 H7 111.0(4) 2_747 2_747 2_747 no
C5 CL2 H7 111.0(4) 2_747 2_747 2_747 no
C7 CL2 C7 113.49(4) . . . ?
C7 CL2 C8 19.78(3) . . . ?
C7 CL2 C8 93.70(4) . . . ?
C7 CL2 H1 104.3(3) . . . no
C7 CL2 H2 88.8(4) . . . no
C7 CL2 H2 69.6(4) . . . no
C7 CL2 H3 101.4(2) . . . no
C7 CL2 H4 120.63(8) . . . no
C7 CL2 H6 40.4(3) . . . no
C7 CL2 H6 111.3(3) . . . no
C7 CL2 H7 27.1(5) . . . no
C7 CL2 H7 86.4(5) . . . no
C7 CL2 C8 93.72(4) 1_545 1_545 1_545 ?
C7 CL2 C8 19.80(3) 1_545 1_545 1_545 ?
C7 CL2 H1 104.3(3) 1_545 1_545 1_545 no
C7 CL2 H2 69.6(4) 1_545 1_545 1_545 no
C7 CL2 H2 88.8(4) 1_545 1_545 1_545 no
C7 CL2 H3 101.4(2) 1_545 1_545 1_545 no
C7 CL2 H4 120.60(8) 1_545 1_545 1_545 no
C7 CL2 H6 111.3(3) 1_545 1_545 1_545 no
C7 CL2 H6 40.4(3) 1_545 1_545 1_545 no
C7 CL2 H7 86.4(5) 1_545 1_545 1_545 no
C7 CL2 H7 27.2(5) 1_545 1_545 1_545 no
C8 CL2 C8 73.92(5) . . . ?
C8 CL2 H1 110.6(5) . . . no
C8 CL2 H2 80.8(4) . . . no
C8 CL2 H2 66.7(4) . . . no
C8 CL2 H3 107.3(4) . . . no
C8 CL2 H4 138.2(1) . . . no
C8 CL2 H6 46.5(3) . . . no
C8 CL2 H6 96.9(3) . . . no
C8 CL2 H7 7.4(5) . . . no
C8 CL2 H7 66.6(5) . . . no
C8 CL2 H1 110.6(5) 4_545 4_545 4_545 no
C8 CL2 H2 66.7(4) 4_545 4_545 4_545 no
C8 CL2 H2 80.8(4) 4_545 4_545 4_545 no
C8 CL2 H3 107.3(4) 4_545 4_545 4_545 no
C8 CL2 H4 138.2(1) 4_545 4_545 4_545 no
C8 CL2 H6 96.9(3) 4_545 4_545 4_545 no
C8 CL2 H6 46.5(3) 4_545 4_545 4_545 no
C8 CL2 H7 66.6(5) 4_545 4_545 4_545 no
C8 CL2 H7 7.4(5) 4_545 4_545 4_545 no
H1 CL2 H2 48.0(7) 2_647 2_647 2_647 no
H1 CL2 H2 48.0(7) 2_647 2_647 2_647 no
H1 CL2 H3 132.0(8) 2_647 2_647 2_647 no
H1 CL2 H4 84.9(7) 2_647 2_647 2_647 no
H1 CL2 H6 137.6(3) 2_647 2_647 2_647 no
H1 CL2 H6 137.6(3) 2_647 2_647 2_647 no
H1 CL2 H7 111.9(6) 2_647 2_647 2_647 no
H1 CL2 H7 111.9(6) 2_647 2_647 2_647 no
H2 CL2 H2 22.5(8) 2_647 2_647 2_647 no
H2 CL2 H3 168.7(4) 2_647 2_647 2_647 no
H2 CL2 H4 130.9(4) 2_647 2_647 2_647 no
H2 CL2 H6 127.0(5) 2_647 2_647 2_647 no
H2 CL2 H6 109.9(5) 2_647 2_647 2_647 no
H2 CL2 H7 77.5(5) 2_647 2_647 2_647 no
H2 CL2 H7 65.8(5) 2_647 2_647 2_647 no
H2 CL2 H3 168.7(4) 3_657 3_657 3_657 no
H2 CL2 H4 130.9(4) 3_657 3_657 3_657 no
H2 CL2 H6 109.8(5) 3_657 3_657 3_657 no
H2 CL2 H6 127.1(5) 3_657 3_657 3_657 no
H2 CL2 H7 65.8(5) 3_657 3_657 3_657 no
H2 CL2 H7 77.5(5) 3_657 3_657 3_657 no
H3 CL2 H4 47.1(6) 2_747 2_747 2_747 no
H3 CL2 H6 62.0(4) 2_747 2_747 2_747 no
H3 CL2 H6 62.0(4) 2_747 2_747 2_747 no
H3 CL2 H7 109.5(6) 2_747 2_747 2_747 no
H3 CL2 H7 109.5(6) 2_747 2_747 2_747 no
H4 CL2 H6 95.6(4) 2_747 2_747 2_747 no
H4 CL2 H6 95.6(4) 2_747 2_747 2_747 no
H4 CL2 H7 144.6(5) 2_747 2_747 2_747 no
H4 CL2 H7 144.6(5) 2_747 2_747 2_747 no
H6 CL2 H6 84.6(6) . . . no
H6 CL2 H7 50.7(5) . . . no
H6 CL2 H7 91.8(6) . . . no
H6 CL2 H7 91.8(6) 4_545 4_545 4_545 no
H6 CL2 H7 50.7(5) 4_545 4_545 4_545 no
H7 CL2 H7 59.2(10) . . . no
CL2 O1 N1 53.51(5) 2_657 2_657 2_657 ?
CL2 O1 N1 58.08(3) 2_657 2_657 2_657 ?
CL2 O1 N1 58.11(3) 2_657 2_657 2_657 ?
CL2 O1 N2 115.07(5) 2_657 2_657 2_657 ?
CL2 O1 C1 84.18(11) 2_657 2_657 2_657 ?
CL2 O1 C2 64.15(4) 2_657 2_657 2_657 ?
CL2 O1 C2 60.73(3) 2_657 2_657 2_657 ?
CL2 O1 C2 60.76(3) 2_657 2_657 2_657 ?
CL2 O1 C3 83.87(4) 2_657 2_657 2_657 ?
CL2 O1 C3 67.35(4) 2_657 2_657 2_657 ?
CL2 O1 C4 103.74(4) 2_657 2_657 2_657 ?
CL2 O1 C4 88.37(4) 2_657 2_657 2_657 ?
CL2 O1 C5 81.80(4) 2_657 2_657 2_657 ?
CL2 O1 C5 81.84(4) 2_657 2_657 2_657 ?
CL2 O1 C6 110.43(5) 2_657 2_657 2_657 ?
CL2 O1 C7 148.01(5) 2_657 2_657 2_657 ?
CL2 O1 C8 150.39(4) 2_657 2_657 2_657 ?
CL2 O1 C8 150.40(4) 2_657 2_657 2_657 ?
CL2 O1 H1 31.9(6) 2_657 2_657 2_657 no
CL2 O1 H1 68.7(4) 2_657 2_657 2_657 no
CL2 O1 H1 68.7(4) 2_657 2_657 2_657 no
CL2 O1 H2 90.4(4) 2_657 2_657 2_657 no
CL2 O1 H2 90.4(4) 2_657 2_657 2_657 no
CL2 O1 H3 83.3(3) 2_657 2_657 2_657 no
CL2 O1 H3 83.4(3) 2_657 2_657 2_657 no
CL2 O1 H4 58.0(4) 2_657 2_657 2_657 no
CL2 O1 H5 114.5(6) 2_657 2_657 2_657 no
CL2 O1 H6 116.6(3) 2_657 2_657 2_657 no
CL2 O1 H6 116.6(3) 2_657 2_657 2_657 no
CL2 O1 H7 135.0(4) 2_657 2_657 2_657 no
CL2 O1 H7 135.0(4) 2_657 2_657 2_657 no
N1 O1 N1 65.10(4) . . . ?
N1 O1 N1 65.13(4) . . . ?
N1 O1 N2 61.56(6) . . . ?
N1 O1 C1 30.67(11) . . . ?
N1 O1 C2 10.64(5) . . . ?
N1 O1 C2 82.73(4) . . . ?
N1 O1 C2 82.77(4) . . . ?
N1 O1 C3 30.36(5) . . . ?
N1 O1 C3 120.86(7) . . . ?
N1 O1 C4 50.23(6) . . . ?
N1 O1 C4 141.88(7) . . . ?
N1 O1 C5 101.61(4) . . . ?
N1 O1 C5 101.66(4) . . . ?
N1 O1 C6 163.94(8) . . . ?
N1 O1 C7 94.50(7) . . . ?
N1 O1 C8 104.23(7) . . . ?
N1 O1 C8 104.24(7) . . . ?
N1 O1 H1 21.6(6) . . . no
N1 O1 H1 63.8(3) . . . no
N1 O1 H1 63.9(3) . . . no
N1 O1 H2 104.1(4) . . . no
N1 O1 H2 104.1(4) . . . no
N1 O1 H3 111.4(3) . . . no
N1 O1 H3 111.4(3) . . . no
N1 O1 H4 111.5(4) . . . no
N1 O1 H5 168.0(6) . . . no
N1 O1 H6 165.2(3) . . . no
N1 O1 H6 165.2(3) . . . no
N1 O1 H7 96.3(3) . . . no
N1 O1 H7 96.4(3) . . . no
N1 O1 N1 113.97(5) 2_647 2_647 2_647 ?
N1 O1 N2 95.96(4) 2_647 2_647 2_647 ?
N1 O1 C1 79.30(6) 2_647 2_647 2_647 ?
N1 O1 C2 69.52(3) 2_647 2_647 2_647 ?
N1 O1 C2 19.54(3) 2_647 2_647 2_647 ?
N1 O1 C2 118.69(5) 2_647 2_647 2_647 ?
N1 O1 C3 79.14(3) 2_647 2_647 2_647 ?
N1 O1 C3 85.35(4) 2_647 2_647 2_647 ?
N1 O1 C4 89.81(4) 2_647 2_647 2_647 ?
N1 O1 C4 96.75(4) 2_647 2_647 2_647 ?
N1 O1 C5 36.63(4) 2_647 2_647 2_647 ?
N1 O1 C5 138.29(6) 2_647 2_647 2_647 ?
N1 O1 C6 107.99(4) 2_647 2_647 2_647 ?
N1 O1 C7 112.22(4) 2_647 2_647 2_647 ?
N1 O1 C8 96.45(4) 2_647 2_647 2_647 ?
N1 O1 C8 135.85(5) 2_647 2_647 2_647 ?
N1 O1 H1 58.74(12) 2_647 2_647 2_647 no
N1 O1 H1 13.0(4) 2_647 2_647 2_647 no
N1 O1 H1 121.1(3) 2_647 2_647 2_647 no
N1 O1 H2 147.5(4) 2_647 2_647 2_647 no
N1 O1 H2 40.8(4) 2_647 2_647 2_647 no
N1 O1 H3 46.4(3) 2_647 2_647 2_647 no
N1 O1 H3 135.2(3) 2_647 2_647 2_647 no
N1 O1 H4 80.3(2) 2_647 2_647 2_647 no
N1 O1 H5 109.9(3) 2_647 2_647 2_647 no
N1 O1 H6 100.7(3) 2_647 2_647 2_647 no
N1 O1 H6 121.3(3) 2_647 2_647 2_647 no
N1 O1 H7 79.9(4) 2_647 2_647 2_647 no
N1 O1 H7 145.1(4) 2_647 2_647 2_647 no
N1 O1 N2 95.97(4) 2_657 2_657 2_657 ?
N1 O1 C1 79.33(6) 2_657 2_657 2_657 ?
N1 O1 C2 69.55(3) 2_657 2_657 2_657 ?
N1 O1 C2 118.68(5) 2_657 2_657 2_657 ?
N1 O1 C2 19.55(3) 2_657 2_657 2_657 ?
N1 O1 C3 79.16(3) 2_657 2_657 2_657 ?
N1 O1 C3 85.34(4) 2_657 2_657 2_657 ?
N1 O1 C4 89.82(4) 2_657 2_657 2_657 ?
N1 O1 C4 96.73(4) 2_657 2_657 2_657 ?
N1 O1 C5 138.27(6) 2_657 2_657 2_657 ?
N1 O1 C5 36.64(4) 2_657 2_657 2_657 ?
N1 O1 C6 107.96(4) 2_657 2_657 2_657 ?
N1 O1 C7 112.20(4) 2_657 2_657 2_657 ?
N1 O1 C8 135.84(5) 2_657 2_657 2_657 ?
N1 O1 C8 96.43(4) 2_657 2_657 2_657 ?
N1 O1 H1 58.77(12) 2_657 2_657 2_657 no
N1 O1 H1 121.1(3) 2_657 2_657 2_657 no
N1 O1 H1 13.0(4) 2_657 2_657 2_657 no
N1 O1 H2 40.8(4) 2_657 2_657 2_657 no
N1 O1 H2 147.5(4) 2_657 2_657 2_657 no
N1 O1 H3 135.2(3) 2_657 2_657 2_657 no
N1 O1 H3 46.4(3) 2_657 2_657 2_657 no
N1 O1 H4 80.3(2) 2_657 2_657 2_657 no
N1 O1 H5 109.8(3) 2_657 2_657 2_657 no
N1 O1 H6 121.3(3) 2_657 2_657 2_657 no
N1 O1 H6 100.6(3) 2_657 2_657 2_657 no
N1 O1 H7 145.0(4) 2_657 2_657 2_657 no
N1 O1 H7 79.9(4) 2_657 2_657 2_657 no
N2 O1 C1 30.89(10) . . . ?
N2 O1 C2 50.92(5) . . . ?
N2 O1 C2 113.09(4) . . . ?
N2 O1 C2 113.10(4) . . . ?
N2 O1 C3 31.21(5) . . . ?
N2 O1 C3 177.57(7) . . . ?
N2 O1 C4 11.33(4) . . . ?
N2 O1 C4 156.56(7) . . . ?
N2 O1 C5 112.51(4) . . . ?
N2 O1 C5 112.51(4) . . . ?
N2 O1 C6 134.50(7) . . . ?
N2 O1 C7 32.93(5) . . . ?
N2 O1 C8 47.62(5) . . . ?
N2 O1 C8 47.63(5) . . . ?
N2 O1 H1 83.2(6) . . . no
N2 O1 H1 84.3(4) . . . no
N2 O1 H1 84.3(4) . . . no
N2 O1 H2 105.5(4) . . . no
N2 O1 H2 105.5(4) . . . no
N2 O1 H3 122.5(3) . . . no
N2 O1 H3 122.5(3) . . . no
N2 O1 H4 173.1(4) . . . no
N2 O1 H5 130.4(6) . . . no
N2 O1 H6 126.9(3) . . . no
N2 O1 H6 126.9(3) . . . no
N2 O1 H7 49.5(3) . . . no
N2 O1 H7 49.6(3) . . . no
C1 O1 C2 20.03(10) . . . ?
C1 O1 C2 98.84(7) . . . ?
C1 O1 C2 98.86(7) . . . ?
C1 O1 C3 0.31(10) . . . ?
C1 O1 C3 151.53(13) . . . ?
C1 O1 C4 19.56(10) . . . ?
C1 O1 C4 172.55(13) . . . ?
C1 O1 C5 109.85(5) . . . ?
C1 O1 C5 109.88(5) . . . ?
C1 O1 C6 165.39(13) . . . ?
C1 O1 C7 63.83(11) . . . ?
C1 O1 C8 75.67(11) . . . ?
C1 O1 C8 75.69(11) . . . ?
C1 O1 H1 52.3(6) . . . no
C1 O1 H1 71.6(4) . . . no
C1 O1 H1 71.7(4) . . . no
C1 O1 H2 107.3(4) . . . no
C1 O1 H2 107.3(4) . . . no
C1 O1 H3 121.6(3) . . . no
C1 O1 H3 121.7(3) . . . no
C1 O1 H4 142.2(4) . . . no
C1 O1 H5 161.3(6) . . . no
C1 O1 H6 155.9(3) . . . no
C1 O1 H6 155.9(3) . . . no
C1 O1 H7 71.8(3) . . . no
C1 O1 H7 71.8(3) . . . no
C2 O1 C2 88.32(4) . . . ?
C2 O1 C2 88.35(4) . . . ?
C2 O1 C3 19.72(4) . . . ?
C2 O1 C3 131.50(6) . . . ?
C2 O1 C4 39.59(4) . . . ?
C2 O1 C4 152.52(6) . . . ?
C2 O1 C5 104.96(4) . . . ?
C2 O1 C5 105.00(4) . . . ?
C2 O1 C6 174.58(7) . . . ?
C2 O1 C7 83.86(6) . . . ?
C2 O1 C8 94.33(5) . . . ?
C2 O1 C8 94.34(5) . . . ?
C2 O1 H1 32.2(6) . . . no
C2 O1 H1 65.8(3) . . . no
C2 O1 H1 65.8(3) . . . no
C2 O1 H2 105.8(4) . . . no
C2 O1 H2 105.7(4) . . . no
C2 O1 H3 115.8(3) . . . no
C2 O1 H3 115.8(3) . . . no
C2 O1 H4 122.1(4) . . . no
C2 O1 H5 178.6(6) . . . no
C2 O1 H6 168.4(3) . . . no
C2 O1 H6 168.4(3) . . . no
C2 O1 H7 87.8(3) . . . no
C2 O1 H7 87.8(3) . . . no
C2 O1 C2 116.02(6) 2_647 2_647 2_647 ?
C2 O1 C3 98.68(4) 2_647 2_647 2_647 ?
C2 O1 C3 67.86(3) 2_647 2_647 2_647 ?
C2 O1 C4 108.33(4) 2_647 2_647 2_647 ?
C2 O1 C4 77.40(4) 2_647 2_647 2_647 ?
C2 O1 C5 22.23(4) 2_647 2_647 2_647 ?
C2 O1 C5 129.87(6) 2_647 2_647 2_647 ?
C2 O1 C6 88.81(4) 2_647 2_647 2_647 ?
C2 O1 C7 121.53(3) 2_647 2_647 2_647 ?
C2 O1 C8 100.83(4) 2_647 2_647 2_647 ?
C2 O1 C8 143.14(5) 2_647 2_647 2_647 ?
C2 O1 H1 72.1(3) 2_647 2_647 2_647 no
C2 O1 H1 29.1(4) 2_647 2_647 2_647 no
C2 O1 H1 129.3(4) 2_647 2_647 2_647 no
C2 O1 H2 138.8(4) 2_647 2_647 2_647 no
C2 O1 H2 29.9(4) 2_647 2_647 2_647 no
C2 O1 H3 29.0(3) 2_647 2_647 2_647 no
C2 O1 H3 122.7(3) 2_647 2_647 2_647 no
C2 O1 H4 64.38(13) 2_647 2_647 2_647 no
C2 O1 H5 91.0(3) 2_647 2_647 2_647 no
C2 O1 H6 82.6(3) 2_647 2_647 2_647 no
C2 O1 H6 102.1(3) 2_647 2_647 2_647 no
C2 O1 H7 85.5(4) 2_647 2_647 2_647 no
C2 O1 H7 158.0(4) 2_647 2_647 2_647 no
C2 O1 C3 98.70(4) 2_657 2_657 2_657 ?
C2 O1 C3 67.85(3) 2_657 2_657 2_657 ?
C2 O1 C4 108.35(4) 2_657 2_657 2_657 ?
C2 O1 C4 77.38(4) 2_657 2_657 2_657 ?
C2 O1 C5 129.86(6) 2_657 2_657 2_657 ?
C2 O1 C5 22.24(4) 2_657 2_657 2_657 ?
C2 O1 C6 88.78(4) 2_657 2_657 2_657 ?
C2 O1 C7 121.51(3) 2_657 2_657 2_657 ?
C2 O1 C8 143.12(5) 2_657 2_657 2_657 ?
C2 O1 C8 100.81(4) 2_657 2_657 2_657 ?
C2 O1 H1 72.2(3) 2_657 2_657 2_657 no
C2 O1 H1 129.3(4) 2_657 2_657 2_657 no
C2 O1 H1 29.1(4) 2_657 2_657 2_657 no
C2 O1 H2 29.9(4) 2_657 2_657 2_657 no
C2 O1 H2 138.8(4) 2_657 2_657 2_657 no
C2 O1 H3 122.7(3) 2_657 2_657 2_657 no
C2 O1 H3 29.0(3) 2_657 2_657 2_657 no
C2 O1 H4 64.37(13) 2_657 2_657 2_657 no
C2 O1 H5 90.9(3) 2_657 2_657 2_657 no
C2 O1 H6 102.1(3) 2_657 2_657 2_657 no
C2 O1 H6 82.6(3) 2_657 2_657 2_657 no
C2 O1 H7 158.0(4) 2_657 2_657 2_657 no
C2 O1 H7 85.5(4) 2_657 2_657 2_657 no
C3 O1 C3 151.22(7) . . . ?
C3 O1 C4 19.88(4) . . . ?
C3 O1 C4 172.24(6) . . . ?
C3 O1 C5 109.79(4) . . . ?
C3 O1 C5 109.82(4) . . . ?
C3 O1 C6 165.71(6) . . . ?
C3 O1 C7 64.14(5) . . . ?
C3 O1 C8 75.96(5) . . . ?
C3 O1 C8 75.98(5) . . . ?
C3 O1 H1 52.0(6) . . . no
C3 O1 H1 71.5(4) . . . no
C3 O1 H1 71.6(4) . . . no
C3 O1 H2 107.3(4) . . . no
C3 O1 H2 107.3(4) . . . no
C3 O1 H3 121.6(3) . . . no
C3 O1 H3 121.6(3) . . . no
C3 O1 H4 141.9(4) . . . no
C3 O1 H5 161.6(6) . . . no
C3 O1 H6 156.2(3) . . . no
C3 O1 H6 156.2(3) . . . no
C3 O1 H7 72.1(3) . . . no
C3 O1 H7 72.1(3) . . . no
C3 O1 C4 171.09(6) 1_455 1_455 1_455 ?
C3 O1 C4 21.02(4) 1_455 1_455 1_455 ?
C3 O1 C5 67.46(4) 1_455 1_455 1_455 ?
C3 O1 C5 67.45(4) 1_455 1_455 1_455 ?
C3 O1 C6 43.08(5) 1_455 1_455 1_455 ?
C3 O1 C7 144.64(6) 1_455 1_455 1_455 ?
C3 O1 C8 130.25(5) 1_455 1_455 1_455 ?
C3 O1 C8 130.24(5) 1_455 1_455 1_455 ?
C3 O1 H1 99.3(6) 1_455 1_455 1_455 no
C3 O1 H1 96.8(4) 1_455 1_455 1_455 no
C3 O1 H1 96.8(4) 1_455 1_455 1_455 no
C3 O1 H2 74.2(4) 1_455 1_455 1_455 no
C3 O1 H2 74.2(4) 1_455 1_455 1_455 no
C3 O1 H3 57.2(3) 1_455 1_455 1_455 no
C3 O1 H3 57.2(3) 1_455 1_455 1_455 no
C3 O1 H4 9.4(4) 1_455 1_455 1_455 no
C3 O1 H5 47.1(6) 1_455 1_455 1_455 no
C3 O1 H6 50.8(3) 1_455 1_455 1_455 no
C3 O1 H6 50.8(3) 1_455 1_455 1_455 no
C3 O1 H7 128.9(3) 1_455 1_455 1_455 no
C3 O1 H7 128.9(3) 1_455 1_455 1_455 no
C4 O1 C4 167.89(7) . . . ?
C4 O1 C5 112.31(4) . . . ?
C4 O1 C5 112.32(4) . . . ?
C4 O1 C6 145.83(7) . . . ?
C4 O1 C7 44.26(5) . . . ?
C4 O1 C8 57.71(5) . . . ?
C4 O1 C8 57.72(5) . . . ?
C4 O1 H1 71.8(6) . . . no
C4 O1 H1 79.3(4) . . . no
C4 O1 H1 79.3(4) . . . no
C4 O1 H2 106.7(4) . . . no
C4 O1 H2 106.7(4) . . . no
C4 O1 H3 123.5(3) . . . no
C4 O1 H3 123.5(3) . . . no
C4 O1 H4 161.7(4) . . . no
C4 O1 H5 141.8(6) . . . no
C4 O1 H6 137.8(3) . . . no
C4 O1 H6 137.8(3) . . . no
C4 O1 H7 57.1(3) . . . no
C4 O1 H7 57.2(3) . . . no
C4 O1 C5 68.91(4) 1_455 1_455 1_455 ?
C4 O1 C5 68.89(4) 1_455 1_455 1_455 ?
C4 O1 C6 22.06(5) 1_455 1_455 1_455 ?
C4 O1 C7 123.62(6) 1_455 1_455 1_455 ?
C4 O1 C8 111.22(5) 1_455 1_455 1_455 ?
C4 O1 C8 111.21(5) 1_455 1_455 1_455 ?
C4 O1 H1 120.3(6) 1_455 1_455 1_455 no
C4 O1 H1 105.6(4) 1_455 1_455 1_455 no
C4 O1 H1 105.6(4) 1_455 1_455 1_455 no
C4 O1 H2 72.7(4) 1_455 1_455 1_455 no
C4 O1 H2 72.7(4) 1_455 1_455 1_455 no
C4 O1 H3 57.2(3) 1_455 1_455 1_455 no
C4 O1 H3 57.1(3) 1_455 1_455 1_455 no
C4 O1 H4 30.4(4) 1_455 1_455 1_455 no
C4 O1 H5 26.1(6) 1_455 1_455 1_455 no
C4 O1 H6 30.8(3) 1_455 1_455 1_455 no
C4 O1 H6 30.8(3) 1_455 1_455 1_455 no
C4 O1 H7 113.9(3) 1_455 1_455 1_455 no
C4 O1 H7 113.9(3) 1_455 1_455 1_455 no
C5 O1 C5 134.90(8) 2_647 2_647 2_647 ?
C5 O1 C6 73.52(4) 2_647 2_647 2_647 ?
C5 O1 C7 108.03(4) 2_647 2_647 2_647 ?
C5 O1 C8 84.88(5) 2_647 2_647 2_647 ?
C5 O1 C8 125.26(6) 2_647 2_647 2_647 ?
C5 O1 H1 93.8(2) 2_647 2_647 2_647 no
C5 O1 H1 39.4(3) 2_647 2_647 2_647 no
C5 O1 H1 150.3(4) 2_647 2_647 2_647 no
C5 O1 H2 141.0(4) 2_647 2_647 2_647 no
C5 O1 H2 9.4(4) 2_647 2_647 2_647 no
C5 O1 H3 11.8(3) 2_647 2_647 2_647 no
C5 O1 H3 124.2(3) 2_647 2_647 2_647 no
C5 O1 H4 67.83(5) 2_647 2_647 2_647 no
C5 O1 H5 74.6(2) 2_647 2_647 2_647 no
C5 O1 H6 64.5(3) 2_647 2_647 2_647 no
C5 O1 H6 86.4(3) 2_647 2_647 2_647 no
C5 O1 H7 72.0(4) 2_647 2_647 2_647 no
C5 O1 H7 141.8(4) 2_647 2_647 2_647 no
C5 O1 C6 73.48(4) 2_657 2_657 2_657 ?
C5 O1 C7 108.01(4) 2_657 2_657 2_657 ?
C5 O1 C8 125.24(6) 2_657 2_657 2_657 ?
C5 O1 C8 84.85(5) 2_657 2_657 2_657 ?
C5 O1 H1 93.9(2) 2_657 2_657 2_657 no
C5 O1 H1 150.3(4) 2_657 2_657 2_657 no
C5 O1 H1 39.4(3) 2_657 2_657 2_657 no
C5 O1 H2 9.4(4) 2_657 2_657 2_657 no
C5 O1 H2 140.9(4) 2_657 2_657 2_657 no
C5 O1 H3 124.2(3) 2_657 2_657 2_657 no
C5 O1 H3 11.8(3) 2_657 2_657 2_657 no
C5 O1 H4 67.83(5) 2_657 2_657 2_657 no
C5 O1 H5 74.6(2) 2_657 2_657 2_657 no
C5 O1 H6 86.4(3) 2_657 2_657 2_657 no
C5 O1 H6 64.5(3) 2_657 2_657 2_657 no
C5 O1 H7 141.8(4) 2_657 2_657 2_657 no
C5 O1 H7 72.0(4) 2_657 2_657 2_657 no
C6 O1 C7 101.57(6) 1_455 1_455 1_455 ?
C6 O1 C8 90.73(6) 1_455 1_455 1_455 ?
C6 O1 C8 90.71(6) 1_455 1_455 1_455 ?
C6 O1 H1 142.3(6) 1_455 1_455 1_455 no
C6 O1 H1 112.9(3) 1_455 1_455 1_455 no
C6 O1 H1 112.8(3) 1_455 1_455 1_455 no
C6 O1 H2 73.6(4) 1_455 1_455 1_455 no
C6 O1 H2 73.7(4) 1_455 1_455 1_455 no
C6 O1 H3 62.3(3) 1_455 1_455 1_455 no
C6 O1 H3 62.3(3) 1_455 1_455 1_455 no
C6 O1 H4 52.4(4) 1_455 1_455 1_455 no
C6 O1 H5 4.1(6) 1_455 1_455 1_455 no
C6 O1 H6 13.3(3) 1_455 1_455 1_455 no
C6 O1 H6 13.3(3) 1_455 1_455 1_455 no
C6 O1 H7 96.6(3) 1_455 1_455 1_455 no
C6 O1 H7 96.6(3) 1_455 1_455 1_455 no
C7 O1 C8 23.64(4) . . . ?
C7 O1 C8 23.64(4) . . . ?
C7 O1 H1 116.1(6) . . . no
C7 O1 H1 99.2(4) . . . no
C7 O1 H1 99.2(4) . . . no
C7 O1 H2 98.7(4) . . . no
C7 O1 H2 98.7(4) . . . no
C7 O1 H3 112.6(3) . . . no
C7 O1 H3 112.6(3) . . . no
C7 O1 H4 154.0(4) . . . no
C7 O1 H5 97.5(6) . . . no
C7 O1 H6 94.7(3) . . . no
C7 O1 H6 94.7(3) . . . no
C7 O1 H7 36.5(4) . . . no
C7 O1 H7 36.5(4) . . . no
C8 O1 C8 42.31(7) . . . ?
C8 O1 H1 124.0(6) . . . no
C8 O1 H1 84.3(4) . . . no
C8 O1 H1 122.8(4) . . . no
C8 O1 H2 116.0(4) . . . no
C8 O1 H2 75.5(4) . . . no
C8 O1 H3 89.0(3) . . . no
C8 O1 H3 125.7(3) . . . no
C8 O1 H4 138.3(3) . . . no
C8 O1 H5 86.9(5) . . . no
C8 O1 H6 80.4(3) . . . no
C8 O1 H6 88.7(3) . . . no
C8 O1 H7 16.5(4) . . . no
C8 O1 H7 57.9(4) . . . no
C8 O1 H1 124.1(6) 4 4 4 no
C8 O1 H1 122.8(4) 4 4 4 no
C8 O1 H1 84.3(4) 4 4 4 no
C8 O1 H2 75.5(4) 4 4 4 no
C8 O1 H2 116.0(4) 4 4 4 no
C8 O1 H3 125.7(3) 4 4 4 no
C8 O1 H3 88.9(3) 4 4 4 no
C8 O1 H4 138.3(3) 4 4 4 no
C8 O1 H5 86.9(5) 4 4 4 no
C8 O1 H6 88.7(3) 4 4 4 no
C8 O1 H6 80.4(3) 4 4 4 no
C8 O1 H7 57.9(4) 4 4 4 no
C8 O1 H7 16.5(4) 4 4 4 no
H1 O1 H1 62.9(3) . . . no
H1 O1 H1 62.9(3) . . . no
H1 O1 H2 99.4(4) . . . no
H1 O1 H2 99.4(4) . . . no
H1 O1 H3 100.7(5) . . . no
H1 O1 H3 100.8(5) . . . no
H1 O1 H4 89.9(7) . . . no
H1 O1 H5 146.4(9) . . . no
H1 O1 H6 147.2(6) . . . no
H1 O1 H6 147.2(6) . . . no
H1 O1 H7 113.3(6) . . . no
H1 O1 H7 113.4(6) . . . no
H1 O1 H1 125.5(6) 2_647 2_647 2_647 no
H1 O1 H2 159.1(5) 2_647 2_647 2_647 no
H1 O1 H2 40.3(5) 2_647 2_647 2_647 no
H1 O1 H3 50.7(4) 2_647 2_647 2_647 no
H1 O1 H3 148.2(5) 2_647 2_647 2_647 no
H1 O1 H4 92.6(5) 2_647 2_647 2_647 no
H1 O1 H5 113.9(4) 2_647 2_647 2_647 no
H1 O1 H6 103.2(4) 2_647 2_647 2_647 no
H1 O1 H6 125.7(5) 2_647 2_647 2_647 no
H1 O1 H7 67.8(5) 2_647 2_647 2_647 no
H1 O1 H7 132.5(5) 2_647 2_647 2_647 no
H1 O1 H2 40.3(5) 2_657 2_657 2_657 no
H1 O1 H2 159.1(5) 2_657 2_657 2_657 no
H1 O1 H3 148.2(5) 2_657 2_657 2_657 no
H1 O1 H3 50.7(4) 2_657 2_657 2_657 no
H1 O1 H4 92.6(5) 2_657 2_657 2_657 no
H1 O1 H5 113.9(4) 2_657 2_657 2_657 no
H1 O1 H6 125.7(5) 2_657 2_657 2_657 no
H1 O1 H6 103.2(4) 2_657 2_657 2_657 no
H1 O1 H7 132.5(5) 2_657 2_657 2_657 no
H1 O1 H7 67.8(5) 2_657 2_657 2_657 no
H2 O1 H2 145.3(8) 2_657 2_657 2_657 no
H2 O1 H3 129.5(5) 2_657 2_657 2_657 no
H2 O1 H3 17.1(5) 2_657 2_657 2_657 no
H2 O1 H4 75.6(4) 2_657 2_657 2_657 no
H2 O1 H5 74.1(4) 2_657 2_657 2_657 no
H2 O1 H6 85.8(5) 2_657 2_657 2_657 no
H2 O1 H6 63.0(5) 2_657 2_657 2_657 no
H2 O1 H7 132.5(5) 2_657 2_657 2_657 no
H2 O1 H7 62.8(5) 2_657 2_657 2_657 no
H2 O1 H3 17.1(5) 3_657 3_657 3_657 no
H2 O1 H3 129.5(5) 3_657 3_657 3_657 no
H2 O1 H4 75.6(4) 3_657 3_657 3_657 no
H2 O1 H5 74.1(4) 3_657 3_657 3_657 no
H2 O1 H6 63.1(5) 3_657 3_657 3_657 no
H2 O1 H6 85.9(5) 3_657 3_657 3_657 no
H2 O1 H7 62.9(5) 3_657 3_657 3_657 no
H2 O1 H7 132.5(5) 3_657 3_657 3_657 no
H3 O1 H3 113.0(6) 2_647 2_647 2_647 no
H3 O1 H4 58.8(3) 2_647 2_647 2_647 no
H3 O1 H5 63.7(4) 2_647 2_647 2_647 no
H3 O1 H6 54.2(4) 2_647 2_647 2_647 no
H3 O1 H6 75.4(4) 2_647 2_647 2_647 no
H3 O1 H7 78.2(5) 2_647 2_647 2_647 no
H3 O1 H7 141.7(5) 2_647 2_647 2_647 no
H3 O1 H4 58.8(3) 2_657 2_657 2_657 no
H3 O1 H5 63.7(4) 2_657 2_657 2_657 no
H3 O1 H6 75.4(4) 2_657 2_657 2_657 no
H3 O1 H6 54.2(4) 2_657 2_657 2_657 no
H3 O1 H7 141.6(5) 2_657 2_657 2_657 no
H3 O1 H7 78.2(5) 2_657 2_657 2_657 no
H4 O1 H5 56.5(7) 1_455 1_455 1_455 no
H4 O1 H6 59.9(5) 1_455 1_455 1_455 no
H4 O1 H6 59.9(5) 1_455 1_455 1_455 no
H4 O1 H7 134.6(4) 1_455 1_455 1_455 no
H4 O1 H7 134.6(4) 1_455 1_455 1_455 no
H5 O1 H6 11.8(3) 1_455 1_455 1_455 no
H5 O1 H6 11.8(3) 1_455 1_455 1_455 no
H5 O1 H7 93.3(5) 1_455 1_455 1_455 no
H5 O1 H7 93.3(5) 1_455 1_455 1_455 no
H6 O1 H6 23.0(6) 1_455 1_455 1_455 no
H6 O1 H7 84.4(4) 1_455 1_455 1_455 no
H6 O1 H7 97.9(4) 1_455 1_455 1_455 no
H6 O1 H7 97.9(4) 4_455 4_455 4_455 no
H6 O1 H7 84.3(4) 4_455 4_455 4_455 no
H7 O1 H7 72.7(8) . . . no
CL2 N1 CL2 125.30(5) . . . ?
CL2 N1 CL2 115.67(3) . . . ?
CL2 N1 O1 81.55(4) . . . ?
CL2 N1 O1 57.84(2) . . . ?
CL2 N1 O1 163.21(4) . . . ?
CL2 N1 N1 47.92(3) . . . ?
CL2 N1 N1 161.85(6) . . . ?
CL2 N1 N2 63.28(3) . . . ?
CL2 N1 C1 70.89(5) . . . ?
CL2 N1 C1 59.44(3) . . . ?
CL2 N1 C1 175.22(5) . . . ?
CL2 N1 C2 85.37(6) . . . ?
CL2 N1 C3 72.45(3) . . . ?
CL2 N1 C4 64.16(3) . . . ?
CL2 N1 C5 100.50(4) . . . ?
CL2 N1 C7 65.22(3) . . . ?
CL2 N1 H1 116.0(2) . . . no
CL2 N1 H1 33.7(5) . . . no
CL2 N1 H1 154.0(4) . . . no
CL2 N1 H2 93.7(5) . . . no
CL2 N1 H2 120.0(5) . . . no
CL2 N1 H3 96.2(2) . . . no
CL2 N1 H4 75.7(1) . . . no
CL2 N1 CL2 115.68(3) 1_565 1_565 1_565 ?
CL2 N1 O1 81.51(4) 1_565 1_565 1_565 ?
CL2 N1 O1 163.22(4) 1_565 1_565 1_565 ?
CL2 N1 O1 57.85(2) 1_565 1_565 1_565 ?
CL2 N1 N1 161.85(6) 1_565 1_565 1_565 ?
CL2 N1 N1 47.91(3) 1_565 1_565 1_565 ?
CL2 N1 N2 63.25(3) 1_565 1_565 1_565 ?
CL2 N1 C1 70.85(5) 1_565 1_565 1_565 ?
CL2 N1 C1 175.22(5) 1_565 1_565 1_565 ?
CL2 N1 C1 59.45(3) 1_565 1_565 1_565 ?
CL2 N1 C2 85.40(6) 1_565 1_565 1_565 ?
CL2 N1 C3 72.46(3) 1_565 1_565 1_565 ?
CL2 N1 C4 64.15(3) 1_565 1_565 1_565 ?
CL2 N1 C5 100.54(4) 1_565 1_565 1_565 ?
CL2 N1 C7 65.18(3) 1_565 1_565 1_565 ?
CL2 N1 H1 116.0(2) 1_565 1_565 1_565 no
CL2 N1 H1 154.0(4) 1_565 1_565 1_565 no
CL2 N1 H1 33.7(5) 1_565 1_565 1_565 no
CL2 N1 H2 120.0(5) 1_565 1_565 1_565 no
CL2 N1 H2 93.8(5) 1_565 1_565 1_565 no
CL2 N1 H3 96.2(2) 1_565 1_565 1_565 no
CL2 N1 H4 75.7(1) 1_565 1_565 1_565 no
CL2 N1 O1 89.27(6) 2_657 2_657 2_657 ?
CL2 N1 O1 70.08(3) 2_657 2_657 2_657 ?
CL2 N1 O1 70.09(3) 2_657 2_657 2_657 ?
CL2 N1 N1 67.75(5) 2_657 2_657 2_657 ?
CL2 N1 N1 67.77(5) 2_657 2_657 2_657 ?
CL2 N1 N2 148.83(6) 2_657 2_657 2_657 ?
CL2 N1 C1 116.07(11) 2_657 2_657 2_657 ?
CL2 N1 C1 59.70(3) 2_657 2_657 2_657 ?
CL2 N1 C1 59.71(3) 2_657 2_657 2_657 ?
CL2 N1 C2 119.51(11) 2_657 2_657 2_657 ?
CL2 N1 C3 150.44(7) 2_657 2_657 2_657 ?
CL2 N1 C4 178.97(6) 2_657 2_657 2_657 ?
CL2 N1 C5 86.00(7) 2_657 2_657 2_657 ?
CL2 N1 C7 136.50(5) 2_657 2_657 2_657 ?
CL2 N1 H1 2.1(14) 2_657 2_657 2_657 no
CL2 N1 H1 82.0(5) 2_657 2_657 2_657 no
CL2 N1 H1 82.0(5) 2_657 2_657 2_657 no
CL2 N1 H2 70.7(4) 2_657 2_657 2_657 no
CL2 N1 H2 70.7(4) 2_657 2_657 2_657 no
CL2 N1 H3 95.8(4) 2_657 2_657 2_657 no
CL2 N1 H4 141.9(3) 2_657 2_657 2_657 no
O1 N1 O1 114.90(4) . . . ?
O1 N1 O1 114.87(4) . . . ?
O1 N1 N1 80.71(5) . . . ?
O1 N1 N1 80.67(5) . . . ?
O1 N1 N2 59.56(6) . . . ?
O1 N1 C1 26.80(9) . . . ?
O1 N1 C1 99.25(5) . . . ?
O1 N1 C1 99.22(5) . . . ?
O1 N1 C2 151.2(1) . . . ?
O1 N1 C3 120.29(9) . . . ?
O1 N1 C4 89.70(7) . . . ?
O1 N1 C5 175.27(10) . . . ?
O1 N1 C7 47.23(5) . . . ?
O1 N1 H1 91.3(14) . . . no
O1 N1 H1 79.7(4) . . . no
O1 N1 H1 79.7(4) . . . no
O1 N1 H2 155.1(5) . . . no
O1 N1 H2 155.1(5) . . . no
O1 N1 H3 174.9(4) . . . no
O1 N1 H4 128.8(3) . . . no
O1 N1 O1 113.97(5) 2_647 2_647 2_647 ?
O1 N1 N1 34.19(3) 2_647 2_647 2_647 ?
O1 N1 N1 134.65(7) 2_647 2_647 2_647 ?
O1 N1 N2 120.78(3) 2_647 2_647 2_647 ?
O1 N1 C1 122.13(3) 2_647 2_647 2_647 ?
O1 N1 C1 17.60(3) 2_647 2_647 2_647 ?
O1 N1 C1 117.88(5) 2_647 2_647 2_647 ?
O1 N1 C2 78.32(6) 2_647 2_647 2_647 ?
O1 N1 C3 94.97(4) 2_647 2_647 2_647 ?
O1 N1 C4 110.39(4) 2_647 2_647 2_647 ?
O1 N1 C5 63.37(4) 2_647 2_647 2_647 ?
O1 N1 C7 122.69(3) 2_647 2_647 2_647 ?
O1 N1 H1 69.2(6) 2_647 2_647 2_647 no
O1 N1 H1 37.9(4) 2_647 2_647 2_647 no
O1 N1 H1 147.6(5) 2_647 2_647 2_647 no
O1 N1 H2 45.1(5) 2_647 2_647 2_647 no
O1 N1 H2 72.8(5) 2_647 2_647 2_647 no
O1 N1 H3 67.1(2) 2_647 2_647 2_647 no
O1 N1 H4 90.3(2) 2_647 2_647 2_647 no
O1 N1 N1 134.64(7) 2_657 2_657 2_657 ?
O1 N1 N1 34.20(3) 2_657 2_657 2_657 ?
O1 N1 N2 120.76(3) 2_657 2_657 2_657 ?
O1 N1 C1 122.10(3) 2_657 2_657 2_657 ?
O1 N1 C1 117.87(5) 2_657 2_657 2_657 ?
O1 N1 C1 17.60(3) 2_657 2_657 2_657 ?
O1 N1 C2 78.35(6) 2_657 2_657 2_657 ?
O1 N1 C3 94.97(4) 2_657 2_657 2_657 ?
O1 N1 C4 110.38(4) 2_657 2_657 2_657 ?
O1 N1 C5 63.41(4) 2_657 2_657 2_657 ?
O1 N1 C7 122.65(3) 2_657 2_657 2_657 ?
O1 N1 H1 69.2(6) 2_657 2_657 2_657 no
O1 N1 H1 147.6(5) 2_657 2_657 2_657 no
O1 N1 H1 37.9(4) 2_657 2_657 2_657 no
O1 N1 H2 72.9(5) 2_657 2_657 2_657 no
O1 N1 H2 45.1(5) 2_657 2_657 2_657 no
O1 N1 H3 67.1(2) 2_657 2_657 2_657 no
O1 N1 H4 90.3(2) 2_657 2_657 2_657 no
N1 N1 N1 131.62(9) 2_647 2_647 2_647 ?
N1 N1 N2 104.06(5) 2_647 2_647 2_647 ?
N1 N1 C1 91.48(6) 2_647 2_647 2_647 ?
N1 N1 C1 20.36(4) 2_647 2_647 2_647 ?
N1 N1 C1 127.44(7) 2_647 2_647 2_647 ?
N1 N1 C2 108.83(5) 2_647 2_647 2_647 ?
N1 N1 C3 113.99(5) 2_647 2_647 2_647 ?
N1 N1 C4 112.07(5) 2_647 2_647 2_647 ?
N1 N1 C5 97.46(5) 2_647 2_647 2_647 ?
N1 N1 C7 99.61(5) 2_647 2_647 2_647 ?
N1 N1 H1 68.1(3) 2_647 2_647 2_647 no
N1 N1 H1 14.2(4) 2_647 2_647 2_647 no
N1 N1 H1 143.9(5) 2_647 2_647 2_647 no
N1 N1 H2 78.1(5) 2_647 2_647 2_647 no
N1 N1 H2 103.9(5) 2_647 2_647 2_647 no
N1 N1 H3 101.2(2) 2_647 2_647 2_647 no
N1 N1 H4 113.24(6) 2_647 2_647 2_647 no
N1 N1 N2 104.02(5) 2_657 2_657 2_657 ?
N1 N1 C1 91.43(6) 2_657 2_657 2_657 ?
N1 N1 C1 127.45(7) 2_657 2_657 2_657 ?
N1 N1 C1 20.37(4) 2_657 2_657 2_657 ?
N1 N1 C2 108.86(5) 2_657 2_657 2_657 ?
N1 N1 C3 114.00(5) 2_657 2_657 2_657 ?
N1 N1 C4 112.05(5) 2_657 2_657 2_657 ?
N1 N1 C5 97.50(5) 2_657 2_657 2_657 ?
N1 N1 C7 99.57(5) 2_657 2_657 2_657 ?
N1 N1 H1 68.1(3) 2_657 2_657 2_657 no
N1 N1 H1 143.9(5) 2_657 2_657 2_657 no
N1 N1 H1 14.2(4) 2_657 2_657 2_657 no
N1 N1 H2 104.0(5) 2_657 2_657 2_657 no
N1 N1 H2 78.1(5) 2_657 2_657 2_657 no
N1 N1 H3 101.2(2) 2_657 2_657 2_657 no
N1 N1 H4 113.25(6) 2_657 2_657 2_657 no
N2 N1 C1 32.76(9) . . . ?
N2 N1 C1 121.22(3) . . . ?
N2 N1 C1 121.19(3) . . . ?
N2 N1 C2 91.65(11) . . . ?
N2 N1 C3 60.72(7) . . . ?
N2 N1 C4 30.13(5) . . . ?
N2 N1 C5 125.16(9) . . . ?
N2 N1 C7 12.33(4) . . . ?
N2 N1 H1 150.9(14) . . . no
N2 N1 H1 91.6(4) . . . no
N2 N1 H1 91.6(4) . . . no
N2 N1 H2 139.0(4) . . . no
N2 N1 H2 139.0(4) . . . no
N2 N1 H3 115.4(4) . . . no
N2 N1 H4 69.3(3) . . . no
C1 N1 C1 111.84(5) . . . ?
C1 N1 C1 111.80(5) . . . ?
C1 N1 C2 124.4(2) . . . ?
C1 N1 C3 93.49(12) . . . ?
C1 N1 C4 62.90(10) . . . ?
C1 N1 C5 157.9(1) . . . ?
C1 N1 C7 20.43(9) . . . ?
C1 N1 H1 118.1(14) . . . no
C1 N1 H1 84.4(4) . . . no
C1 N1 H1 84.4(4) . . . no
C1 N1 H2 164.6(5) . . . no
C1 N1 H2 164.6(5) . . . no
C1 N1 H3 148.1(4) . . . no
C1 N1 H4 102.0(4) . . . no
C1 N1 C1 115.80(6) 2_647 2_647 2_647 ?
C1 N1 C2 95.91(6) 2_647 2_647 2_647 ?
C1 N1 C3 110.88(4) 2_647 2_647 2_647 ?
C1 N1 C4 120.50(3) 2_647 2_647 2_647 ?
C1 N1 C5 78.35(5) 2_647 2_647 2_647 ?
C1 N1 C7 118.76(3) 2_647 2_647 2_647 ?
C1 N1 H1 59.3(3) 2_647 2_647 2_647 no
C1 N1 H1 30.0(4) 2_647 2_647 2_647 no
C1 N1 H1 141.7(5) 2_647 2_647 2_647 no
C1 N1 H2 58.2(5) 2_647 2_647 2_647 no
C1 N1 H2 83.6(5) 2_647 2_647 2_647 no
C1 N1 H3 83.4(2) 2_647 2_647 2_647 no
C1 N1 H4 107.1(2) 2_647 2_647 2_647 no
C1 N1 C2 95.94(6) 2_657 2_657 2_657 ?
C1 N1 C3 110.89(4) 2_657 2_657 2_657 ?
C1 N1 C4 120.49(3) 2_657 2_657 2_657 ?
C1 N1 C5 78.38(5) 2_657 2_657 2_657 ?
C1 N1 C7 118.72(3) 2_657 2_657 2_657 ?
C1 N1 H1 59.3(3) 2_657 2_657 2_657 no
C1 N1 H1 141.7(5) 2_657 2_657 2_657 no
C1 N1 H1 30.0(4) 2_657 2_657 2_657 no
C1 N1 H2 83.6(5) 2_657 2_657 2_657 no
C1 N1 H2 58.2(5) 2_657 2_657 2_657 no
C1 N1 H3 83.4(2) 2_657 2_657 2_657 no
C1 N1 H4 107.1(2) 2_657 2_657 2_657 no
C2 N1 C3 30.93(9) . . . ?
C2 N1 C4 61.52(10) . . . ?
C2 N1 C5 33.51(10) . . . ?
C2 N1 C7 103.99(11) . . . ?
C2 N1 H1 117.4(14) . . . no
C2 N1 H1 102.9(4) . . . no
C2 N1 H1 102.9(4) . . . no
C2 N1 H2 51.0(4) . . . no
C2 N1 H2 51.0(4) . . . no
C2 N1 H3 23.7(4) . . . no
C2 N1 H4 22.4(3) . . . no
C3 N1 C4 30.59(6) . . . ?
C3 N1 C5 64.44(8) . . . ?
C3 N1 C7 73.05(6) . . . ?
C3 N1 H1 148.4(14) . . . no
C3 N1 H1 102.1(5) . . . no
C3 N1 H1 102.1(5) . . . no
C3 N1 H2 80.7(4) . . . no
C3 N1 H2 80.7(4) . . . no
C3 N1 H3 54.6(4) . . . no
C3 N1 H4 8.6(3) . . . no
C4 N1 C5 95.03(8) . . . ?
C4 N1 C7 42.47(5) . . . ?
C4 N1 H1 179.0(14) . . . no
C4 N1 H1 97.9(5) . . . no
C4 N1 H1 97.8(5) . . . no
C4 N1 H2 110.3(4) . . . no
C4 N1 H2 110.3(4) . . . no
C4 N1 H3 85.2(4) . . . no
C4 N1 H4 39.2(3) . . . no
C5 N1 C7 137.49(8) . . . ?
C5 N1 H1 83.9(14) . . . no
C5 N1 H1 99.6(4) . . . no
C5 N1 H1 99.6(4) . . . no
C5 N1 H2 21.2(5) . . . no
C5 N1 H2 21.2(5) . . . no
C5 N1 H3 9.8(4) . . . no
C5 N1 H4 55.9(3) . . . no
C7 N1 H1 138.6(14) . . . no
C7 N1 H1 88.8(4) . . . no
C7 N1 H1 88.8(4) . . . no
C7 N1 H2 150.2(4) . . . no
C7 N1 H2 150.2(4) . . . no
C7 N1 H3 127.7(4) . . . no
C7 N1 H4 81.6(3) . . . no
H1 N1 H1 82.3(5) . . . no
H1 N1 H1 82.3(5) . . . no
H1 N1 H2 68.7(14) . . . no
H1 N1 H2 68.7(14) . . . no
H1 N1 H3 93.7(14) . . . no
H1 N1 H4 139.8(15) . . . no
H1 N1 H1 153.9(8) 2_647 2_647 2_647 no
H1 N1 H2 82.9(6) 2_647 2_647 2_647 no
H1 N1 H2 110.7(6) 2_647 2_647 2_647 no
H1 N1 H3 101.0(4) 2_647 2_647 2_647 no
H1 N1 H4 102.7(4) 2_647 2_647 2_647 no
H1 N1 H2 110.7(6) 2_657 2_657 2_657 no
H1 N1 H2 82.9(6) 2_657 2_657 2_657 no
H1 N1 H3 101.0(4) 2_657 2_657 2_657 no
H1 N1 H4 102.7(4) 2_657 2_657 2_657 no
H2 N1 H2 28.4(10) . . . no
H2 N1 H3 29.2(6) . . . no
H2 N1 H4 72.4(6) . . . no
H2 N1 H3 29.2(6) 4 4 4 no
H2 N1 H4 72.4(6) 4 4 4 no
H3 N1 H4 46.1(6) . . . no
CL2 N2 CL2 155.37(5) . . . ?
CL2 N2 O1 89.51(3) . . . ?
CL2 N2 N1 79.21(3) . . . ?
CL2 N2 C1 84.07(3) . . . ?
CL2 N2 C2 77.66(3) . . . ?
CL2 N2 C3 79.44(3) . . . ?
CL2 N2 C4 84.18(3) . . . ?
CL2 N2 C6 90.88(3) . . . ?
CL2 N2 C7 102.31(3) . . . ?
CL2 N2 C8 73.07(5) . . . ?
CL2 N2 C8 131.53(6) . . . ?
CL2 N2 C9 83.66(4) . . . ?
CL2 N2 C9 120.95(5) . . . ?
CL2 N2 H1 80.16(6) . . . no
CL2 N2 H4 80.40(5) . . . no
CL2 N2 H5 88.82(9) . . . no
CL2 N2 H6 77.8(4) . . . no
CL2 N2 H6 109.6(4) . . . no
CL2 N2 H7 51.1(5) . . . no
CL2 N2 H7 153.4(5) . . . no
CL2 N2 O1 89.50(3) 1_565 1_565 1_565 ?
CL2 N2 N1 79.25(3) 1_565 1_565 1_565 ?
CL2 N2 C1 84.09(3) 1_565 1_565 1_565 ?
CL2 N2 C2 77.71(3) 1_565 1_565 1_565 ?
CL2 N2 C3 79.49(3) 1_565 1_565 1_565 ?
CL2 N2 C4 84.21(3) 1_565 1_565 1_565 ?
CL2 N2 C6 90.88(3) 1_565 1_565 1_565 ?
CL2 N2 C7 102.27(3) 1_565 1_565 1_565 ?
CL2 N2 C8 131.50(6) 1_565 1_565 1_565 ?
CL2 N2 C8 73.04(5) 1_565 1_565 1_565 ?
CL2 N2 C9 120.90(5) 1_565 1_565 1_565 ?
CL2 N2 C9 83.62(4) 1_565 1_565 1_565 ?
CL2 N2 H1 80.19(6) 1_565 1_565 1_565 no
CL2 N2 H4 80.44(5) 1_565 1_565 1_565 no
CL2 N2 H5 88.83(9) 1_565 1_565 1_565 no
CL2 N2 H6 109.6(4) 1_565 1_565 1_565 no
CL2 N2 H6 77.8(4) 1_565 1_565 1_565 no
CL2 N2 H7 153.4(5) 1_565 1_565 1_565 no
CL2 N2 H7 51.1(5) 1_565 1_565 1_565 no
O1 N2 N1 58.87(6) . . . ?
O1 N2 C1 26.60(8) . . . ?
O1 N2 C2 88.45(7) . . . ?
O1 N2 C3 118.68(8) . . . ?
O1 N2 C4 149.39(12) . . . ?
O1 N2 C6 178.18(9) . . . ?
O1 N2 C7 88.89(10) . . . ?
O1 N2 C8 88.57(7) . . . ?
O1 N2 C8 88.57(7) . . . ?
O1 N2 C9 88.54(6) . . . ?
O1 N2 C9 88.53(6) . . . ?
O1 N2 H1 50.8(4) . . . no
O1 N2 H4 126.4(3) . . . no
O1 N2 H5 172.2(4) . . . no
O1 N2 H6 157.8(4) . . . no
O1 N2 H6 157.8(4) . . . no
O1 N2 H7 88.1(4) . . . no
O1 N2 H7 88.1(4) . . . no
N1 N2 C1 32.27(8) . . . ?
N1 N2 C2 29.58(5) . . . ?
N1 N2 C3 59.81(7) . . . ?
N1 N2 C4 90.52(10) . . . ?
N1 N2 C6 122.95(8) . . . ?
N1 N2 C7 147.76(11) . . . ?
N1 N2 C8 137.20(7) . . . ?
N1 N2 C8 137.21(7) . . . ?
N1 N2 C9 142.90(6) . . . ?
N1 N2 C9 142.90(6) . . . ?
N1 N2 H1 8.0(4) . . . no
N1 N2 H4 67.5(3) . . . no
N1 N2 H5 113.3(4) . . . no
N1 N2 H6 134.0(4) . . . no
N1 N2 H6 134.0(4) . . . no
N1 N2 H7 121.2(4) . . . no
N1 N2 H7 121.3(4) . . . no
C1 N2 C2 61.85(9) . . . ?
C1 N2 C3 92.08(10) . . . ?
C1 N2 C4 122.8(1) . . . ?
C1 N2 C6 155.22(12) . . . ?
C1 N2 C7 115.49(13) . . . ?
C1 N2 C8 111.61(9) . . . ?
C1 N2 C8 111.61(9) . . . ?
C1 N2 C9 113.66(9) . . . ?
C1 N2 C9 113.66(9) . . . ?
C1 N2 H1 24.2(4) . . . no
C1 N2 H4 99.8(3) . . . no
C1 N2 H5 145.6(4) . . . no
C1 N2 H6 160.2(4) . . . no
C1 N2 H6 160.2(4) . . . no
C1 N2 H7 104.5(4) . . . no
C1 N2 H7 104.5(4) . . . no
C2 N2 C3 30.23(6) . . . ?
C2 N2 C4 60.94(9) . . . ?
C2 N2 C6 93.37(8) . . . ?
C2 N2 C7 177.34(12) . . . ?
C2 N2 C8 150.60(4) . . . ?
C2 N2 C8 150.61(4) . . . ?
C2 N2 C9 161.11(3) . . . ?
C2 N2 C9 161.11(3) . . . ?
C2 N2 H1 37.6(4) . . . no
C2 N2 H4 37.9(3) . . . no
C2 N2 H5 83.7(4) . . . no
C2 N2 H6 106.1(4) . . . no
C2 N2 H6 106.1(4) . . . no
C2 N2 H7 128.7(5) . . . no
C2 N2 H7 128.7(5) . . . no
C3 N2 C4 30.71(9) . . . ?
C3 N2 C6 63.14(8) . . . ?
C3 N2 C7 152.43(12) . . . ?
C3 N2 C8 141.00(6) . . . ?
C3 N2 C8 141.01(6) . . . ?
C3 N2 C9 147.48(7) . . . ?
C3 N2 C9 147.49(7) . . . ?
C3 N2 H1 67.8(4) . . . no
C3 N2 H4 7.7(3) . . . no
C3 N2 H5 53.5(4) . . . no
C3 N2 H6 77.1(4) . . . no
C3 N2 H6 77.1(4) . . . no
C3 N2 H7 124.5(5) . . . no
C3 N2 H7 124.5(5) . . . no
C4 N2 C6 32.44(10) . . . ?
C4 N2 C7 121.7(2) . . . ?
C4 N2 C8 117.75(10) . . . ?
C4 N2 C8 117.76(10) . . . ?
C4 N2 C9 120.28(10) . . . ?
C4 N2 C9 120.29(10) . . . ?
C4 N2 H1 98.6(4) . . . no
C4 N2 H4 23.0(3) . . . no
C4 N2 H5 22.8(4) . . . no
C4 N2 H6 48.0(4) . . . no
C4 N2 H6 48.0(4) . . . no
C4 N2 H7 110.4(4) . . . no
C4 N2 H7 110.4(4) . . . no
C6 N2 C7 89.28(11) . . . ?
C6 N2 C8 89.84(8) . . . ?
C6 N2 C8 89.84(8) . . . ?
C6 N2 C9 89.74(7) . . . ?
C6 N2 C9 89.74(7) . . . ?
C6 N2 H1 131.0(4) . . . no
C6 N2 H4 55.4(3) . . . no
C6 N2 H5 9.7(4) . . . no
C6 N2 H6 21.0(4) . . . no
C6 N2 H6 21.0(4) . . . no
C6 N2 H7 90.8(4) . . . no
C6 N2 H7 90.8(4) . . . no
C7 N2 C8 29.24(4) . . . ?
C7 N2 C8 29.23(4) . . . ?
C7 N2 C9 18.65(3) . . . ?
C7 N2 C9 18.65(3) . . . ?
C7 N2 H1 139.7(5) . . . no
C7 N2 H4 144.7(4) . . . no
C7 N2 H5 98.9(4) . . . no
C7 N2 H6 76.4(4) . . . no
C7 N2 H6 76.4(4) . . . no
C7 N2 H7 51.2(5) . . . no
C7 N2 H7 51.2(5) . . . no
C8 N2 C8 58.47(9) . . . ?
C8 N2 C9 10.60(5) . . . ?
C8 N2 C9 47.88(6) . . . ?
C8 N2 H1 131.3(3) . . . no
C8 N2 H4 135.8(2) . . . no
C8 N2 H5 98.3(4) . . . no
C8 N2 H6 70.5(4) . . . no
C8 N2 H6 86.5(4) . . . no
C8 N2 H7 21.9(5) . . . no
C8 N2 H7 80.4(5) . . . no
C8 N2 C9 47.87(6) 4 4 4 ?
C8 N2 C9 10.59(5) 4 4 4 ?
C8 N2 H1 131.3(3) 4 4 4 no
C8 N2 H4 135.8(2) 4 4 4 no
C8 N2 H5 98.3(4) 4 4 4 no
C8 N2 H6 86.6(4) 4 4 4 no
C8 N2 H6 70.5(4) 4 4 4 no
C8 N2 H7 80.4(5) 4 4 4 no
C8 N2 H7 21.9(5) 4 4 4 no
C9 N2 C9 37.29(6) . . . ?
C9 N2 H1 135.9(4) . . . no
C9 N2 H4 141.1(3) . . . no
C9 N2 H5 98.9(4) . . . no
C9 N2 H6 72.2(4) . . . no
C9 N2 H6 82.8(4) . . . no
C9 N2 H7 32.5(5) . . . no
C9 N2 H7 69.8(5) . . . no
C9 N2 H1 135.9(4) 4 4 4 no
C9 N2 H4 141.1(3) 4 4 4 no
C9 N2 H5 98.9(4) 4 4 4 no
C9 N2 H6 82.8(4) 4 4 4 no
C9 N2 H6 72.2(4) 4 4 4 no
C9 N2 H7 69.8(5) 4 4 4 no
C9 N2 H7 32.5(5) 4 4 4 no
H1 N2 H4 75.5(5) . . . no
H1 N2 H5 121.3(6) . . . no
H1 N2 H6 141.3(5) . . . no
H1 N2 H6 141.3(5) . . . no
H1 N2 H7 117.7(5) . . . no
H1 N2 H7 117.7(5) . . . no
H4 N2 H5 45.8(5) . . . no
H4 N2 H6 69.7(5) . . . no
H4 N2 H6 69.8(5) . . . no
H4 N2 H7 121.6(5) . . . no
H4 N2 H7 121.7(5) . . . no
H5 N2 H6 28.0(5) . . . no
H5 N2 H6 28.0(5) . . . no
H5 N2 H7 96.8(5) . . . no
H5 N2 H7 96.8(5) . . . no
H6 N2 H6 32.5(9) . . . no
H6 N2 H7 69.8(6) . . . no
H6 N2 H7 95.3(6) . . . no
H6 N2 H7 95.3(6) 4 4 4 no
H6 N2 H7 69.8(6) 4 4 4 no
H7 N2 H7 102.3(9) . . . no
CL2 C1 CL2 139.90(6) . . . ?
CL2 C1 CL2 102.31(3) . . . ?
CL2 C1 O1 107.97(4) . . . ?
CL2 C1 N1 87.72(5) . . . ?
CL2 C1 N1 47.07(3) . . . ?
CL2 C1 N1 155.57(5) . . . ?
CL2 C1 N2 73.03(4) . . . ?
CL2 C1 C2 78.90(4) . . . ?
CL2 C1 C3 72.10(3) . . . ?
CL2 C1 C4 69.98(3) . . . ?
CL2 C1 C5 83.01(4) . . . ?
CL2 C1 C6 70.74(3) . . . ?
CL2 C1 C7 81.60(4) . . . ?
CL2 C1 C8 63.45(4) . . . ?
CL2 C1 C8 104.33(6) . . . ?
CL2 C1 H1 95.8(2) . . . no
CL2 C1 H1 34.4(4) . . . no
CL2 C1 H1 159.2(4) . . . no
CL2 C1 H2 77.6(3) . . . no
CL2 C1 H2 95.1(3) . . . no
CL2 C1 H2 159.6(3) . . . no
CL2 C1 H2 56.1(3) . . . no
CL2 C1 H4 72.17(6) . . . no
CL2 C1 H4 110.05(3) . . . no
CL2 C1 H5 105.64(9) . . . no
CL2 C1 H6 61.2(3) . . . no
CL2 C1 H6 82.4(3) . . . no
CL2 C1 H7 46.6(4) . . . no
CL2 C1 H7 118.9(4) . . . no
CL2 C1 CL2 102.34(3) 1_565 1_565 1_565 ?
CL2 C1 O1 107.94(4) 1_565 1_565 1_565 ?
CL2 C1 N1 87.76(5) 1_565 1_565 1_565 ?
CL2 C1 N1 155.58(5) 1_565 1_565 1_565 ?
CL2 C1 N1 47.08(3) 1_565 1_565 1_565 ?
CL2 C1 N2 73.01(4) 1_565 1_565 1_565 ?
CL2 C1 C2 78.94(4) 1_565 1_565 1_565 ?
CL2 C1 C3 72.13(3) 1_565 1_565 1_565 ?
CL2 C1 C4 69.99(3) 1_565 1_565 1_565 ?
CL2 C1 C5 83.06(4) 1_565 1_565 1_565 ?
CL2 C1 C6 70.73(3) 1_565 1_565 1_565 ?
CL2 C1 C7 81.56(4) 1_565 1_565 1_565 ?
CL2 C1 C8 104.29(6) 1_565 1_565 1_565 ?
CL2 C1 C8 63.41(4) 1_565 1_565 1_565 ?
CL2 C1 H1 95.9(2) 1_565 1_565 1_565 no
CL2 C1 H1 159.2(4) 1_565 1_565 1_565 no
CL2 C1 H1 34.5(4) 1_565 1_565 1_565 no
CL2 C1 H2 95.2(3) 1_565 1_565 1_565 no
CL2 C1 H2 77.7(3) 1_565 1_565 1_565 no
CL2 C1 H2 56.1(3) 1_565 1_565 1_565 no
CL2 C1 H2 159.6(3) 1_565 1_565 1_565 no
CL2 C1 H4 72.20(6) 1_565 1_565 1_565 no
CL2 C1 H4 110.04(3) 1_565 1_565 1_565 no
CL2 C1 H5 105.60(9) 1_565 1_565 1_565 no
CL2 C1 H6 82.4(3) 1_565 1_565 1_565 no
CL2 C1 H6 61.2(3) 1_565 1_565 1_565 no
CL2 C1 H7 118.9(4) 1_565 1_565 1_565 no
CL2 C1 H7 46.6(4) 1_565 1_565 1_565 no
CL2 C1 O1 77.41(11) 2_657 2_657 2_657 ?
CL2 C1 N1 45.11(9) 2_657 2_657 2_657 ?
CL2 C1 N1 57.89(3) 2_657 2_657 2_657 ?
CL2 C1 N1 57.91(3) 2_657 2_657 2_657 ?
CL2 C1 N2 160.08(10) 2_657 2_657 2_657 ?
CL2 C1 C2 72.60(6) 2_657 2_657 2_657 ?
CL2 C1 C3 102.14(6) 2_657 2_657 2_657 ?
CL2 C1 C4 131.83(7) 2_657 2_657 2_657 ?
CL2 C1 C5 59.22(5) 2_657 2_657 2_657 ?
CL2 C1 C6 144.25(6) 2_657 2_657 2_657 ?
CL2 C1 C7 166.77(7) 2_657 2_657 2_657 ?
CL2 C1 C8 150.69(5) 2_657 2_657 2_657 ?
CL2 C1 C8 150.69(5) 2_657 2_657 2_657 ?
CL2 C1 H1 21.2(7) 2_657 2_657 2_657 no
CL2 C1 H1 69.9(4) 2_657 2_657 2_657 no
CL2 C1 H1 69.9(4) 2_657 2_657 2_657 no
CL2 C1 H2 49.7(3) 2_657 2_657 2_657 no
CL2 C1 H2 49.7(3) 2_657 2_657 2_657 no
CL2 C1 H2 81.4(3) 2_657 2_657 2_657 no
CL2 C1 H2 81.3(3) 2_657 2_657 2_657 no
CL2 C1 H4 101.7(3) 2_657 2_657 2_657 no
CL2 C1 H4 50.7(3) 2_657 2_657 2_657 no
CL2 C1 H5 89.7(4) 2_657 2_657 2_657 no
CL2 C1 H6 150.8(3) 2_657 2_657 2_657 no
CL2 C1 H6 150.8(3) 2_657 2_657 2_657 no
CL2 C1 H7 138.7(4) 2_657 2_657 2_657 no
CL2 C1 H7 138.7(4) 2_657 2_657 2_657 no
O1 C1 N1 122.5(2) . . . ?
O1 C1 N1 83.10(7) . . . ?
O1 C1 N1 83.07(7) . . . ?
O1 C1 N2 122.5(2) . . . ?
O1 C1 C2 150.0(2) . . . ?
O1 C1 C3 179.5(2) . . . ?
O1 C1 C4 150.8(2) . . . ?
O1 C1 C5 136.6(1) . . . ?
O1 C1 C6 138.33(13) . . . ?
O1 C1 C7 89.35(12) . . . ?
O1 C1 C8 82.93(11) . . . ?
O1 C1 C8 82.92(11) . . . ?
O1 C1 H1 98.6(7) . . . no
O1 C1 H1 89.5(4) . . . no
O1 C1 H1 89.5(4) . . . no
O1 C1 H2 125.9(3) . . . no
O1 C1 H2 125.9(3) . . . no
O1 C1 H2 52.8(4) . . . no
O1 C1 H2 52.8(4) . . . no
O1 C1 H4 179.1(3) . . . no
O1 C1 H4 26.7(3) . . . no
O1 C1 H5 12.3(4) . . . no
O1 C1 H6 129.0(3) . . . no
O1 C1 H6 129.0(3) . . . no
O1 C1 H7 87.2(3) . . . no
O1 C1 H7 87.2(3) . . . no
N1 C1 N1 68.16(5) . . . ?
N1 C1 N1 68.20(5) . . . ?
N1 C1 N2 115.0(1) . . . ?
N1 C1 C2 27.49(9) . . . ?
N1 C1 C3 57.02(9) . . . ?
N1 C1 C4 86.71(11) . . . ?
N1 C1 C5 14.11(9) . . . ?
N1 C1 C6 99.14(11) . . . ?
N1 C1 C7 148.12(13) . . . ?
N1 C1 C8 147.42(9) . . . ?
N1 C1 C8 147.44(9) . . . ?
N1 C1 H1 24.0(7) . . . no
N1 C1 H1 73.1(3) . . . no
N1 C1 H1 73.1(3) . . . no
N1 C1 H2 10.1(3) . . . no
N1 C1 H2 10.1(3) . . . no
N1 C1 H2 108.0(3) . . . no
N1 C1 H2 108.0(3) . . . no
N1 C1 H4 56.6(3) . . . no
N1 C1 H4 95.8(3) . . . no
N1 C1 H5 134.9(4) . . . no
N1 C1 H6 107.3(3) . . . no
N1 C1 H6 107.3(3) . . . no
N1 C1 H7 133.2(4) . . . no
N1 C1 H7 133.2(4) . . . no
N1 C1 N1 115.80(6) 2_647 2_647 2_647 ?
N1 C1 N2 120.08(4) 2_647 2_647 2_647 ?
N1 C1 C2 81.10(5) 2_647 2_647 2_647 ?
N1 C1 C3 96.67(4) 2_647 2_647 2_647 ?
N1 C1 C4 110.96(4) 2_647 2_647 2_647 ?
N1 C1 C5 74.44(4) 2_647 2_647 2_647 ?
N1 C1 C6 115.72(4) 2_647 2_647 2_647 ?
N1 C1 C7 121.09(3) 2_647 2_647 2_647 ?
N1 C1 C8 98.56(4) 2_647 2_647 2_647 ?
N1 C1 C8 140.82(5) 2_647 2_647 2_647 ?
N1 C1 H1 60.4(2) 2_647 2_647 2_647 no
N1 C1 H1 12.6(4) 2_647 2_647 2_647 no
N1 C1 H1 127.7(4) 2_647 2_647 2_647 no
N1 C1 H2 61.5(3) 2_647 2_647 2_647 no
N1 C1 H2 78.3(3) 2_647 2_647 2_647 no
N1 C1 H2 126.3(3) 2_647 2_647 2_647 no
N1 C1 H2 40.8(3) 2_647 2_647 2_647 no
N1 C1 H4 96.4(2) 2_647 2_647 2_647 no
N1 C1 H4 70.12(12) 2_647 2_647 2_647 no
N1 C1 H5 89.6(2) 2_647 2_647 2_647 no
N1 C1 H6 108.0(3) 2_647 2_647 2_647 no
N1 C1 H6 128.6(3) 2_647 2_647 2_647 no
N1 C1 H7 82.5(4) 2_647 2_647 2_647 no
N1 C1 H7 157.8(4) 2_647 2_647 2_647 no
N1 C1 N2 120.07(4) 2_657 2_657 2_657 ?
N1 C1 C2 81.14(5) 2_657 2_657 2_657 ?
N1 C1 C3 96.69(4) 2_657 2_657 2_657 ?
N1 C1 C4 110.98(4) 2_657 2_657 2_657 ?
N1 C1 C5 74.48(4) 2_657 2_657 2_657 ?
N1 C1 C6 115.72(4) 2_657 2_657 2_657 ?
N1 C1 C7 121.06(3) 2_657 2_657 2_657 ?
N1 C1 C8 140.79(5) 2_657 2_657 2_657 ?
N1 C1 C8 98.54(4) 2_657 2_657 2_657 ?
N1 C1 H1 60.4(2) 2_657 2_657 2_657 no
N1 C1 H1 127.7(4) 2_657 2_657 2_657 no
N1 C1 H1 12.6(4) 2_657 2_657 2_657 no
N1 C1 H2 78.3(3) 2_657 2_657 2_657 no
N1 C1 H2 61.5(3) 2_657 2_657 2_657 no
N1 C1 H2 40.8(3) 2_657 2_657 2_657 no
N1 C1 H2 126.3(3) 2_657 2_657 2_657 no
N1 C1 H4 96.5(2) 2_657 2_657 2_657 no
N1 C1 H4 70.10(12) 2_657 2_657 2_657 no
N1 C1 H5 89.6(2) 2_657 2_657 2_657 no
N1 C1 H6 128.6(3) 2_657 2_657 2_657 no
N1 C1 H6 108.0(3) 2_657 2_657 2_657 no
N1 C1 H7 157.8(4) 2_657 2_657 2_657 no
N1 C1 H7 82.5(4) 2_657 2_657 2_657 no
N2 C1 C2 87.48(10) . . . ?
N2 C1 C3 57.95(9) . . . ?
N2 C1 C4 28.25(8) . . . ?
N2 C1 C5 100.86(10) . . . ?
N2 C1 C6 15.83(8) . . . ?
N2 C1 C7 33.15(8) . . . ?
N2 C1 C8 44.72(7) . . . ?
N2 C1 C8 44.73(7) . . . ?
N2 C1 H1 138.9(7) . . . no
N2 C1 H1 107.5(4) . . . no
N2 C1 H1 107.5(4) . . . no
N2 C1 H2 110.7(3) . . . no
N2 C1 H2 110.7(3) . . . no
N2 C1 H2 109.9(3) . . . no
N2 C1 H2 110.0(3) . . . no
N2 C1 H4 58.4(3) . . . no
N2 C1 H4 149.2(3) . . . no
N2 C1 H5 110.2(4) . . . no
N2 C1 H6 13.0(3) . . . no
N2 C1 H6 13.0(3) . . . no
N2 C1 H7 50.8(4) . . . no
N2 C1 H7 50.8(4) . . . no
C2 C1 C3 29.53(6) . . . ?
C2 C1 C4 59.23(7) . . . ?
C2 C1 C5 13.38(6) . . . ?
C2 C1 C6 71.65(7) . . . ?
C2 C1 C7 120.63(9) . . . ?
C2 C1 C8 124.53(8) . . . ?
C2 C1 C8 124.54(8) . . . ?
C2 C1 H1 51.4(7) . . . no
C2 C1 H1 80.3(4) . . . no
C2 C1 H1 80.4(4) . . . no
C2 C1 H2 25.2(3) . . . no
C2 C1 H2 25.2(3) . . . no
C2 C1 H2 121.0(3) . . . no
C2 C1 H2 121.0(3) . . . no
C2 C1 H4 29.1(3) . . . no
C2 C1 H4 123.3(3) . . . no
C2 C1 H5 162.3(4) . . . no
C2 C1 H6 80.3(3) . . . no
C2 C1 H6 80.3(3) . . . no
C2 C1 H7 115.6(3) . . . no
C2 C1 H7 115.6(3) . . . no
C3 C1 C4 29.69(6) . . . ?
C3 C1 C5 42.91(6) . . . ?
C3 C1 C6 42.12(6) . . . ?
C3 C1 C7 91.10(8) . . . ?
C3 C1 C8 97.49(7) . . . ?
C3 C1 C8 97.50(7) . . . ?
C3 C1 H1 81.0(7) . . . no
C3 C1 H1 90.3(4) . . . no
C3 C1 H1 90.3(4) . . . no
C3 C1 H2 53.6(3) . . . no
C3 C1 H2 53.6(3) . . . no
C3 C1 H2 127.2(4) . . . no
C3 C1 H2 127.2(4) . . . no
C3 C1 H4 0.4(3) . . . no
C3 C1 H4 152.8(3) . . . no
C3 C1 H5 168.1(4) . . . no
C3 C1 H6 51.4(3) . . . no
C3 C1 H6 51.4(3) . . . no
C3 C1 H7 93.1(3) . . . no
C3 C1 H7 93.2(3) . . . no
C4 C1 C5 72.61(7) . . . ?
C4 C1 C6 12.43(5) . . . ?
C4 C1 C7 61.40(7) . . . ?
C4 C1 C8 69.97(7) . . . ?
C4 C1 C8 69.98(7) . . . ?
C4 C1 H1 110.7(7) . . . no
C4 C1 H1 100.3(4) . . . no
C4 C1 H1 100.3(4) . . . no
C4 C1 H2 82.9(3) . . . no
C4 C1 H2 82.9(3) . . . no
C4 C1 H2 122.5(3) . . . no
C4 C1 H2 122.5(3) . . . no
C4 C1 H4 30.1(3) . . . no
C4 C1 H4 177.5(3) . . . no
C4 C1 H5 138.4(4) . . . no
C4 C1 H6 23.4(3) . . . no
C4 C1 H6 23.4(3) . . . no
C4 C1 H7 70.2(3) . . . no
C4 C1 H7 70.2(3) . . . no
C5 C1 C6 85.03(6) . . . ?
C5 C1 C7 134.01(8) . . . ?
C5 C1 C8 136.21(7) . . . ?
C5 C1 C8 136.22(7) . . . ?
C5 C1 H1 38.1(7) . . . no
C5 C1 H1 76.4(4) . . . no
C5 C1 H1 76.5(4) . . . no
C5 C1 H2 13.7(3) . . . no
C5 C1 H2 13.7(3) . . . no
C5 C1 H2 115.3(3) . . . no
C5 C1 H2 115.2(3) . . . no
C5 C1 H4 42.5(3) . . . no
C5 C1 H4 109.9(3) . . . no
C5 C1 H5 149.0(4) . . . no
C5 C1 H6 93.4(3) . . . no
C5 C1 H6 93.5(3) . . . no
C5 C1 H7 124.8(4) . . . no
C5 C1 H7 124.9(4) . . . no
C6 C1 C7 48.98(6) . . . ?
C6 C1 C8 58.65(6) . . . ?
C6 C1 C8 58.66(6) . . . ?
C6 C1 H1 123.1(7) . . . no
C6 C1 H1 103.8(4) . . . no
C6 C1 H1 103.8(4) . . . no
C6 C1 H2 95.1(3) . . . no
C6 C1 H2 95.1(3) . . . no
C6 C1 H2 117.7(3) . . . no
C6 C1 H2 117.7(3) . . . no
C6 C1 H4 42.6(3) . . . no
C6 C1 H4 165.0(3) . . . no
C6 C1 H5 126.0(4) . . . no
C6 C1 H6 13.6(3) . . . no
C6 C1 H6 13.7(3) . . . no
C6 C1 H7 61.1(3) . . . no
C6 C1 H7 61.2(3) . . . no
C7 C1 C8 22.74(4) . . . ?
C7 C1 C8 22.73(4) . . . ?
C7 C1 H1 172.1(7) . . . no
C7 C1 H1 110.5(4) . . . no
C7 C1 H1 110.5(4) . . . no
C7 C1 H2 143.1(3) . . . no
C7 C1 H2 143.1(3) . . . no
C7 C1 H2 90.7(3) . . . no
C7 C1 H2 90.7(3) . . . no
C7 C1 H4 91.5(3) . . . no
C7 C1 H4 116.1(3) . . . no
C7 C1 H5 77.0(4) . . . no
C7 C1 H6 41.7(3) . . . no
C7 C1 H6 41.7(3) . . . no
C7 C1 H7 38.7(4) . . . no
C7 C1 H7 38.6(4) . . . no
C8 C1 C8 43.39(7) . . . ?
C8 C1 H1 158.28(5) . . . no
C8 C1 H1 88.6(4) . . . no
C8 C1 H1 131.9(4) . . . no
C8 C1 H2 138.0(3) . . . no
C8 C1 H2 149.6(3) . . . no
C8 C1 H2 103.7(3) . . . no
C8 C1 H2 69.5(3) . . . no
C8 C1 H4 97.9(3) . . . no
C8 C1 H4 107.7(3) . . . no
C8 C1 H5 71.5(4) . . . no
C8 C1 H6 46.7(3) . . . no
C8 C1 H6 56.8(3) . . . no
C8 C1 H7 17.2(4) . . . no
C8 C1 H7 60.4(4) . . . no
C8 C1 H1 158.29(5) 4 4 4 no
C8 C1 H1 131.9(4) 4 4 4 no
C8 C1 H1 88.6(4) 4 4 4 no
C8 C1 H2 149.6(3) 4 4 4 no
C8 C1 H2 138.0(3) 4 4 4 no
C8 C1 H2 69.4(3) 4 4 4 no
C8 C1 H2 103.7(3) 4 4 4 no
C8 C1 H4 97.9(3) 4 4 4 no
C8 C1 H4 107.7(3) 4 4 4 no
C8 C1 H5 71.5(4) 4 4 4 no
C8 C1 H6 56.8(3) 4 4 4 no
C8 C1 H6 46.7(3) 4 4 4 no
C8 C1 H7 60.4(4) 4 4 4 no
C8 C1 H7 17.2(4) 4 4 4 no
H1 C1 H1 69.8(4) . . . no
H1 C1 H1 69.8(4) . . . no
H1 C1 H2 29.3(7) . . . no
H1 C1 H2 29.3(7) . . . no
H1 C1 H2 94.1(6) . . . no
H1 C1 H2 94.1(6) . . . no
H1 C1 H4 80.5(8) . . . no
H1 C1 H4 71.9(8) . . . no
H1 C1 H5 110.9(8) . . . no
H1 C1 H6 130.7(7) . . . no
H1 C1 H6 130.7(7) . . . no
H1 C1 H7 141.2(4) . . . no
H1 C1 H7 141.2(4) . . . no
H1 C1 H1 139.0(8) 2_647 2_647 2_647 no
H1 C1 H2 64.9(5) 2_647 2_647 2_647 no
H1 C1 H2 83.0(5) 2_647 2_647 2_647 no
H1 C1 H2 137.2(5) 2_647 2_647 2_647 no
H1 C1 H2 40.8(5) 2_647 2_647 2_647 no
H1 C1 H4 90.2(4) 2_647 2_647 2_647 no
H1 C1 H4 80.5(4) 2_647 2_647 2_647 no
H1 C1 H5 93.8(4) 2_647 2_647 2_647 no
H1 C1 H6 95.5(5) 2_647 2_647 2_647 no
H1 C1 H6 116.4(5) 2_647 2_647 2_647 no
H1 C1 H7 71.9(5) 2_647 2_647 2_647 no
H1 C1 H7 149.0(6) 2_647 2_647 2_647 no
H1 C1 H2 83.0(5) 2_657 2_657 2_657 no
H1 C1 H2 64.9(5) 2_657 2_657 2_657 no
H1 C1 H2 40.8(5) 2_657 2_657 2_657 no
H1 C1 H2 137.2(5) 2_657 2_657 2_657 no
H1 C1 H4 90.2(4) 2_657 2_657 2_657 no
H1 C1 H4 80.5(4) 2_657 2_657 2_657 no
H1 C1 H5 93.8(4) 2_657 2_657 2_657 no
H1 C1 H6 116.4(5) 2_657 2_657 2_657 no
H1 C1 H6 95.5(5) 2_657 2_657 2_657 no
H1 C1 H7 148.9(6) 2_657 2_657 2_657 no
H1 C1 H7 71.9(5) 2_657 2_657 2_657 no
H2 C1 H2 18.6(7) . . . no
H2 C1 H2 118.0(5) . . . no
H2 C1 H2 102.2(4) . . . no
H2 C1 H4 53.2(4) . . . no
H2 C1 H4 99.6(4) . . . no
H2 C1 H5 138.0(5) . . . no
H2 C1 H6 101.5(4) . . . no
H2 C1 H6 105.0(4) . . . no
H2 C1 H7 123.2(5) . . . no
H2 C1 H7 138.5(5) . . . no
H2 C1 H2 102.2(4) 4 4 4 no
H2 C1 H2 117.9(5) 4 4 4 no
H2 C1 H4 53.2(4) 4 4 4 no
H2 C1 H4 99.6(4) 4 4 4 no
H2 C1 H5 138.0(5) 4 4 4 no
H2 C1 H6 105.0(4) 4 4 4 no
H2 C1 H6 101.5(4) 4 4 4 no
H2 C1 H7 138.5(5) 4 4 4 no
H2 C1 H7 123.2(5) 4 4 4 no
H2 C1 H2 105.5(7) 2_657 2_657 2_657 no
H2 C1 H4 127.2(4) 2_657 2_657 2_657 no
H2 C1 H4 56.7(3) 2_657 2_657 2_657 no
H2 C1 H5 54.0(4) 2_657 2_657 2_657 no
H2 C1 H6 122.9(4) 2_657 2_657 2_657 no
H2 C1 H6 104.3(4) 2_657 2_657 2_657 no
H2 C1 H7 118.8(5) 2_657 2_657 2_657 no
H2 C1 H7 59.3(5) 2_657 2_657 2_657 no
H2 C1 H4 127.2(4) 3_657 3_657 3_657 no
H2 C1 H4 56.7(3) 3_657 3_657 3_657 no
H2 C1 H5 54.1(4) 3_657 3_657 3_657 no
H2 C1 H6 104.3(4) 3_657 3_657 3_657 no
H2 C1 H6 122.9(4) 3_657 3_657 3_657 no
H2 C1 H7 59.3(5) 3_657 3_657 3_657 no
H2 C1 H7 118.8(5) 3_657 3_657 3_657 no
H4 C1 H4 152.4(5) . . . no
H4 C1 H5 168.6(5) . . . no
H4 C1 H6 51.8(4) . . . no
H4 C1 H6 51.8(4) . . . no
H4 C1 H7 93.5(4) . . . no
H4 C1 H7 93.5(4) . . . no
H4 C1 H5 39.0(5) 1_455 1_455 1_455 no
H4 C1 H6 154.4(4) 1_455 1_455 1_455 no
H4 C1 H6 154.4(4) 1_455 1_455 1_455 no
H4 C1 H7 107.9(4) 1_455 1_455 1_455 no
H4 C1 H7 107.9(4) 1_455 1_455 1_455 no
H5 C1 H6 117.0(4) 1_455 1_455 1_455 no
H5 C1 H6 117.0(4) 1_455 1_455 1_455 no
H5 C1 H7 77.6(4) 1_455 1_455 1_455 no
H5 C1 H7 77.6(4) 1_455 1_455 1_455 no
H6 C1 H6 21.5(6) . . . no
H6 C1 H7 47.6(4) . . . no
H6 C1 H7 63.8(5) . . . no
H6 C1 H7 63.8(5) 4 4 4 no
H6 C1 H7 47.6(4) 4 4 4 no
H7 C1 H7 77.1(8) . . . no
CL2 C2 CL2 118.30(4) . . . ?
CL2 C2 CL2 95.78(3) . . . ?
CL2 C2 O1 67.01(3) . . . ?
CL2 C2 O1 57.24(2) . . . ?
CL2 C2 O1 156.22(5) . . . ?
CL2 C2 N1 74.46(5) . . . ?
CL2 C2 N2 59.17(3) . . . ?
CL2 C2 C1 63.76(3) . . . ?
CL2 C2 C3 75.29(5) . . . ?
CL2 C2 C4 63.71(3) . . . ?
CL2 C2 C5 120.71(3) . . . ?
CL2 C2 C6 67.10(3) . . . ?
CL2 C2 H1 86.4(4) . . . no
CL2 C2 H1 31.2(4) . . . no
CL2 C2 H1 126.5(3) . . . no
CL2 C2 H2 100.5(6) . . . no
CL2 C2 H2 135.8(6) . . . no
CL2 C2 H3 118.98(13) . . . no
CL2 C2 H4 87.0(3) . . . no
CL2 C2 H4 51.1(3) . . . no
CL2 C2 H4 155.8(3) . . . no
CL2 C2 H5 72.3(2) . . . no
CL2 C2 CL2 95.78(3) 1_565 1_565 1_565 ?
CL2 C2 O1 66.98(3) 1_565 1_565 1_565 ?
CL2 C2 O1 156.23(5) 1_565 1_565 1_565 ?
CL2 C2 O1 57.24(2) 1_565 1_565 1_565 ?
CL2 C2 N1 74.44(5) 1_565 1_565 1_565 ?
CL2 C2 N2 59.13(3) 1_565 1_565 1_565 ?
CL2 C2 C1 63.73(3) 1_565 1_565 1_565 ?
CL2 C2 C3 75.28(5) 1_565 1_565 1_565 ?
CL2 C2 C4 63.68(3) 1_565 1_565 1_565 ?
CL2 C2 C5 120.74(3) 1_565 1_565 1_565 ?
CL2 C2 C6 67.08(3) 1_565 1_565 1_565 ?
CL2 C2 H1 86.4(4) 1_565 1_565 1_565 no
CL2 C2 H1 126.5(3) 1_565 1_565 1_565 no
CL2 C2 H1 31.2(4) 1_565 1_565 1_565 no
CL2 C2 H2 135.8(6) 1_565 1_565 1_565 no
CL2 C2 H2 100.5(6) 1_565 1_565 1_565 no
CL2 C2 H3 119.02(13) 1_565 1_565 1_565 no
CL2 C2 H4 87.0(3) 1_565 1_565 1_565 no
CL2 C2 H4 155.8(3) 1_565 1_565 1_565 no
CL2 C2 H4 51.1(3) 1_565 1_565 1_565 no
CL2 C2 H5 72.3(2) 1_565 1_565 1_565 no
CL2 C2 O1 60.97(4) 2_657 2_657 2_657 ?
CL2 C2 O1 63.36(3) 2_657 2_657 2_657 ?
CL2 C2 O1 63.36(3) 2_657 2_657 2_657 ?
CL2 C2 N1 42.83(9) 2_657 2_657 2_657 ?
CL2 C2 N2 101.60(6) 2_657 2_657 2_657 ?
CL2 C2 C1 70.93(6) 2_657 2_657 2_657 ?
CL2 C2 C3 161.63(11) 2_657 2_657 2_657 ?
CL2 C2 C4 131.54(7) 2_657 2_657 2_657 ?
CL2 C2 C5 73.77(11) 2_657 2_657 2_657 ?
CL2 C2 C6 141.92(6) 2_657 2_657 2_657 ?
CL2 C2 H1 18.3(7) 2_657 2_657 2_657 no
CL2 C2 H1 65.7(4) 2_657 2_657 2_657 no
CL2 C2 H1 65.7(4) 2_657 2_657 2_657 no
CL2 C2 H2 57.9(5) 2_657 2_657 2_657 no
CL2 C2 H2 57.9(5) 2_657 2_657 2_657 no
CL2 C2 H3 97.7(7) 2_657 2_657 2_657 no
CL2 C2 H4 174.6(5) 2_657 2_657 2_657 no
CL2 C2 H4 106.5(3) 2_657 2_657 2_657 no
CL2 C2 H4 106.5(3) 2_657 2_657 2_657 no
CL2 C2 H5 154.9(4) 2_657 2_657 2_657 no
O1 C2 O1 91.68(4) . . . ?
O1 C2 O1 91.65(4) . . . ?
O1 C2 N1 18.14(9) . . . ?
O1 C2 N2 40.63(4) . . . ?
O1 C2 C1 9.95(5) . . . ?
O1 C2 C3 100.65(10) . . . ?
O1 C2 C4 70.57(6) . . . ?
O1 C2 C5 134.75(12) . . . ?
O1 C2 C6 80.95(5) . . . ?
O1 C2 H1 42.7(7) . . . no
O1 C2 H1 60.1(3) . . . no
O1 C2 H1 60.1(3) . . . no
O1 C2 H2 115.5(5) . . . no
O1 C2 H2 115.5(5) . . . no
O1 C2 H3 158.7(7) . . . no
O1 C2 H4 124.4(5) . . . no
O1 C2 H4 115.8(3) . . . no
O1 C2 H4 115.7(3) . . . no
O1 C2 H5 93.9(4) . . . no
O1 C2 O1 116.02(6) 2_647 2_647 2_647 ?
O1 C2 N1 82.14(6) 2_647 2_647 2_647 ?
O1 C2 N2 111.52(4) 2_647 2_647 2_647 ?
O1 C2 C1 96.91(5) 2_647 2_647 2_647 ?
O1 C2 C3 120.97(3) 2_647 2_647 2_647 ?
O1 C2 C4 120.58(3) 2_647 2_647 2_647 ?
O1 C2 C5 66.64(5) 2_647 2_647 2_647 ?
O1 C2 C6 121.81(3) 2_647 2_647 2_647 ?
O1 C2 H1 70.3(3) 2_647 2_647 2_647 no
O1 C2 H1 36.4(3) 2_647 2_647 2_647 no
O1 C2 H1 128.9(4) 2_647 2_647 2_647 no
O1 C2 H2 43.5(6) 2_647 2_647 2_647 no
O1 C2 H2 78.7(6) 2_647 2_647 2_647 no
O1 C2 H3 77.3(3) 2_647 2_647 2_647 no
O1 C2 H4 114.8(2) 2_647 2_647 2_647 no
O1 C2 H4 43.2(3) 2_647 2_647 2_647 no
O1 C2 H4 142.4(3) 2_647 2_647 2_647 no
O1 C2 H5 121.72(4) 2_647 2_647 2_647 no
O1 C2 N1 82.11(6) 2_657 2_657 2_657 ?
O1 C2 N2 111.48(4) 2_657 2_657 2_657 ?
O1 C2 C1 96.88(5) 2_657 2_657 2_657 ?
O1 C2 C3 120.96(3) 2_657 2_657 2_657 ?
O1 C2 C4 120.55(3) 2_657 2_657 2_657 ?
O1 C2 C5 66.68(5) 2_657 2_657 2_657 ?
O1 C2 C6 121.79(3) 2_657 2_657 2_657 ?
O1 C2 H1 70.3(3) 2_657 2_657 2_657 no
O1 C2 H1 128.9(4) 2_657 2_657 2_657 no
O1 C2 H1 36.4(3) 2_657 2_657 2_657 no
O1 C2 H2 78.7(6) 2_657 2_657 2_657 no
O1 C2 H2 43.5(6) 2_657 2_657 2_657 no
O1 C2 H3 77.3(3) 2_657 2_657 2_657 no
O1 C2 H4 114.8(2) 2_657 2_657 2_657 no
O1 C2 H4 142.4(3) 2_657 2_657 2_657 no
O1 C2 H4 43.2(3) 2_657 2_657 2_657 no
O1 C2 H5 121.71(4) 2_657 2_657 2_657 no
N1 C2 N2 58.77(9) . . . ?
N1 C2 C1 28.09(9) . . . ?
N1 C2 C3 118.8(2) . . . ?
N1 C2 C4 88.71(11) . . . ?
N1 C2 C5 116.6(2) . . . ?
N1 C2 C6 99.09(11) . . . ?
N1 C2 H1 24.5(7) . . . no
N1 C2 H1 57.7(3) . . . no
N1 C2 H1 57.7(3) . . . no
N1 C2 H2 98.4(6) . . . no
N1 C2 H2 98.4(6) . . . no
N1 C2 H3 140.5(7) . . . no
N1 C2 H4 142.6(6) . . . no
N1 C2 H4 116.1(3) . . . no
N1 C2 H4 116.0(3) . . . no
N1 C2 H5 112.1(4) . . . no
N2 C2 C1 30.67(6) . . . ?
N2 C2 C3 60.03(9) . . . ?
N2 C2 C4 29.94(5) . . . ?
N2 C2 C5 175.37(13) . . . ?
N2 C2 C6 40.32(5) . . . ?
N2 C2 H1 83.3(7) . . . no
N2 C2 H1 75.5(3) . . . no
N2 C2 H1 75.4(3) . . . no
N2 C2 H2 151.4(6) . . . no
N2 C2 H2 151.4(6) . . . no
N2 C2 H3 160.7(7) . . . no
N2 C2 H4 83.8(5) . . . no
N2 C2 H4 106.0(3) . . . no
N2 C2 H4 106.0(3) . . . no
N2 C2 H5 53.3(4) . . . no
C1 C2 C3 90.70(11) . . . ?
C1 C2 C4 60.62(7) . . . ?
C1 C2 C5 144.7(1) . . . ?
C1 C2 C6 71.00(7) . . . ?
C1 C2 H1 52.6(7) . . . no
C1 C2 H1 62.8(3) . . . no
C1 C2 H1 62.8(3) . . . no
C1 C2 H2 124.8(6) . . . no
C1 C2 H2 124.8(6) . . . no
C1 C2 H3 168.6(7) . . . no
C1 C2 H4 114.5(6) . . . no
C1 C2 H4 114.5(3) . . . no
C1 C2 H4 114.4(3) . . . no
C1 C2 H5 84.0(4) . . . no
C3 C2 C4 30.09(8) . . . ?
C3 C2 C5 124.6(2) . . . ?
C3 C2 C6 19.70(8) . . . ?
C3 C2 H1 143.3(7) . . . no
C3 C2 H1 106.5(4) . . . no
C3 C2 H1 106.4(4) . . . no
C3 C2 H2 138.8(6) . . . no
C3 C2 H2 138.8(6) . . . no
C3 C2 H3 100.7(7) . . . no
C3 C2 H4 23.8(5) . . . no
C3 C2 H4 80.6(3) . . . no
C3 C2 H4 80.6(3) . . . no
C3 C2 H5 6.7(4) . . . no
C4 C2 C5 154.69(13) . . . ?
C4 C2 C6 10.38(5) . . . ?
C4 C2 H1 113.2(7) . . . no
C4 C2 H1 91.0(4) . . . no
C4 C2 H1 91.0(4) . . . no
C4 C2 H2 160.4(6) . . . no
C4 C2 H2 160.4(6) . . . no
C4 C2 H3 130.8(7) . . . no
C4 C2 H4 53.8(6) . . . no
C4 C2 H4 93.8(3) . . . no
C4 C2 H4 93.7(3) . . . no
C4 C2 H5 23.4(4) . . . no
C5 C2 C6 144.30(12) . . . ?
C5 C2 H1 92.1(7) . . . no
C5 C2 H1 102.2(3) . . . no
C5 C2 H1 102.3(3) . . . no
C5 C2 H2 25.2(6) . . . no
C5 C2 H2 25.2(6) . . . no
C5 C2 H3 23.9(7) . . . no
C5 C2 H4 100.8(6) . . . no
C5 C2 H4 75.7(3) . . . no
C5 C2 H4 75.7(3) . . . no
C5 C2 H5 131.3(4) . . . no
C6 C2 H1 123.6(7) . . . no
C6 C2 H1 96.6(4) . . . no
C6 C2 H1 96.5(4) . . . no
C6 C2 H2 154.7(6) . . . no
C6 C2 H2 154.7(6) . . . no
C6 C2 H3 120.4(7) . . . no
C6 C2 H4 43.5(5) . . . no
C6 C2 H4 89.2(3) . . . no
C6 C2 H4 89.2(3) . . . no
C6 C2 H5 13.0(4) . . . no
H1 C2 H1 60.1(4) . . . no
H1 C2 H1 60.1(4) . . . no
H1 C2 H2 75.1(8) . . . no
H1 C2 H2 75.1(8) . . . no
H1 C2 H3 116.0(9) . . . no
H1 C2 H4 167.1(9) . . . no
H1 C2 H4 112.1(3) . . . no
H1 C2 H4 112.1(3) . . . no
H1 C2 H5 136.6(8) . . . no
H1 C2 H1 115.4(6) 2_647 2_647 2_647 no
H1 C2 H2 77.6(7) 2_647 2_647 2_647 no
H1 C2 H2 108.2(7) 2_647 2_647 2_647 no
H1 C2 H3 113.1(4) 2_647 2_647 2_647 no
H1 C2 H4 116.2(4) 2_647 2_647 2_647 no
H1 C2 H4 58.3(4) 2_647 2_647 2_647 no
H1 C2 H4 172.1(5) 2_647 2_647 2_647 no
H1 C2 H5 103.2(4) 2_647 2_647 2_647 no
H1 C2 H2 108.3(7) 2_657 2_657 2_657 no
H1 C2 H2 77.7(7) 2_657 2_657 2_657 no
H1 C2 H3 113.2(4) 2_657 2_657 2_657 no
H1 C2 H4 116.2(4) 2_657 2_657 2_657 no
H1 C2 H4 172.1(5) 2_657 2_657 2_657 no
H1 C2 H4 58.3(4) 2_657 2_657 2_657 no
H1 C2 H5 103.2(4) 2_657 2_657 2_657 no
H2 C2 H2 36.4(13) . . . no
H2 C2 H3 44.8(8) . . . no
H2 C2 H4 117.1(8) . . . no
H2 C2 H4 66.7(7) . . . no
H2 C2 H4 99.4(7) . . . no
H2 C2 H5 144.6(6) . . . no
H2 C2 H3 44.8(8) 4 4 4 no
H2 C2 H4 117.1(8) 4 4 4 no
H2 C2 H4 99.4(7) 4 4 4 no
H2 C2 H4 66.7(7) 4 4 4 no
H2 C2 H5 144.6(6) 4 4 4 no
H3 C2 H4 76.9(9) . . . no
H3 C2 H4 68.0(3) . . . no
H3 C2 H4 68.0(3) . . . no
H3 C2 H5 107.4(8) . . . no
H4 C2 H4 71.7(3) . . . no
H4 C2 H4 71.7(3) . . . no
H4 C2 H5 30.5(7) . . . no
H4 C2 H4 127.5(6) 2_747 2_747 2_747 no
H4 C2 H5 83.5(3) 2_747 2_747 2_747 no
H4 C2 H5 83.5(3) 2_757 2_757 2_757 no
CL2 C3 CL2 124.02(5) . . . ?
CL2 C3 O1 63.49(3) . . . ?
CL2 C3 O1 108.78(4) . . . ?
CL2 C3 N1 71.43(3) . . . ?
CL2 C3 N2 62.72(3) . . . ?
CL2 C3 C1 63.47(3) . . . ?
CL2 C3 C2 84.18(5) . . . ?
CL2 C3 C4 69.76(4) . . . ?
CL2 C3 C5 97.63(4) . . . ?
CL2 C3 C5 55.58(3) . . . ?
CL2 C3 C5 156.01(6) . . . ?
CL2 C3 C6 81.75(4) . . . ?
CL2 C3 C7 64.37(3) . . . ?
CL2 C3 H1 74.8(2) . . . no
CL2 C3 H2 84.3(4) . . . no
CL2 C3 H2 104.7(4) . . . no
CL2 C3 H2 144.3(3) . . . no
CL2 C3 H2 65.8(3) . . . no
CL2 C3 H3 106.0(2) . . . no
CL2 C3 H3 43.6(4) . . . no
CL2 C3 H3 153.5(4) . . . no
CL2 C3 H4 116.8(2) . . . no
CL2 C3 H4 51.7(3) . . . no
CL2 C3 H4 162.2(3) . . . no
CL2 C3 H5 91.1(3) . . . no
CL2 C3 H6 67.1(4) . . . no
CL2 C3 H6 91.7(4) . . . no
CL2 C3 O1 63.47(3) 1_565 1_565 1_565 ?
CL2 C3 O1 108.78(4) 1_565 1_565 1_565 ?
CL2 C3 N1 71.43(3) 1_565 1_565 1_565 ?
CL2 C3 N2 62.68(3) 1_565 1_565 1_565 ?
CL2 C3 C1 63.44(3) 1_565 1_565 1_565 ?
CL2 C3 C2 84.19(5) 1_565 1_565 1_565 ?
CL2 C3 C4 69.72(4) 1_565 1_565 1_565 ?
CL2 C3 C5 97.67(4) 1_565 1_565 1_565 ?
CL2 C3 C5 156.02(6) 1_565 1_565 1_565 ?
CL2 C3 C5 55.57(3) 1_565 1_565 1_565 ?
CL2 C3 C6 81.72(4) 1_565 1_565 1_565 ?
CL2 C3 C7 64.33(3) 1_565 1_565 1_565 ?
CL2 C3 H1 74.8(2) 1_565 1_565 1_565 no
CL2 C3 H2 104.7(4) 1_565 1_565 1_565 no
CL2 C3 H2 84.4(4) 1_565 1_565 1_565 no
CL2 C3 H2 65.8(3) 1_565 1_565 1_565 no
CL2 C3 H2 144.3(3) 1_565 1_565 1_565 no
CL2 C3 H3 106.0(2) 1_565 1_565 1_565 no
CL2 C3 H3 153.5(4) 1_565 1_565 1_565 no
CL2 C3 H3 43.6(4) 1_565 1_565 1_565 no
CL2 C3 H4 116.8(2) 1_565 1_565 1_565 no
CL2 C3 H4 162.2(3) 1_565 1_565 1_565 no
CL2 C3 H4 51.7(3) 1_565 1_565 1_565 no
CL2 C3 H5 91.0(3) 1_565 1_565 1_565 no
CL2 C3 H6 91.7(4) 1_565 1_565 1_565 no
CL2 C3 H6 67.0(4) 1_565 1_565 1_565 no
O1 C3 O1 151.22(7) . . . ?
O1 C3 N1 29.36(5) . . . ?
O1 C3 N2 30.11(5) . . . ?
O1 C3 C1 0.14(5) . . . ?
O1 C3 C2 59.63(9) . . . ?
O1 C3 C4 60.36(9) . . . ?
O1 C3 C5 88.58(7) . . . ?
O1 C3 C5 118.47(4) . . . ?
O1 C3 C5 118.44(4) . . . ?
O1 C3 C6 90.06(7) . . . ?
O1 C3 C7 40.60(4) . . . ?
O1 C3 H1 38.1(4) . . . no
O1 C3 H2 82.0(3) . . . no
O1 C3 H2 82.0(3) . . . no
O1 C3 H2 125.8(3) . . . no
O1 C3 H2 125.9(3) . . . no
O1 C3 H3 108.0(5) . . . no
O1 C3 H3 106.4(4) . . . no
O1 C3 H3 106.4(4) . . . no
O1 C3 H4 178.1(12) . . . no
O1 C3 H4 104.4(3) . . . no
O1 C3 H4 104.4(3) . . . no
O1 C3 H5 110.1(6) . . . no
O1 C3 H6 84.8(3) . . . no
O1 C3 H6 84.7(3) . . . no
O1 C3 N1 179.42(8) 1_655 1_655 1_655 ?
O1 C3 N2 121.11(8) 1_655 1_655 1_655 ?
O1 C3 C1 151.08(8) 1_655 1_655 1_655 ?
O1 C3 C2 149.15(11) 1_655 1_655 1_655 ?
O1 C3 C4 90.86(11) 1_655 1_655 1_655 ?
O1 C3 C5 120.20(8) 1_655 1_655 1_655 ?
O1 C3 C5 56.87(4) 1_655 1_655 1_655 ?
O1 C3 C5 56.87(4) 1_655 1_655 1_655 ?
O1 C3 C6 61.16(7) 1_655 1_655 1_655 ?
O1 C3 C7 110.62(6) 1_655 1_655 1_655 ?
O1 C3 H1 170.7(4) 1_655 1_655 1_655 no
O1 C3 H2 126.1(3) 1_655 1_655 1_655 no
O1 C3 H2 126.1(3) 1_655 1_655 1_655 no
O1 C3 H2 44.2(3) 1_655 1_655 1_655 no
O1 C3 H2 44.2(3) 1_655 1_655 1_655 no
O1 C3 H3 100.8(6) 1_655 1_655 1_655 no
O1 C3 H3 67.5(4) 1_655 1_655 1_655 no
O1 C3 H3 67.5(4) 1_655 1_655 1_655 no
O1 C3 H4 30.7(12) 1_655 1_655 1_655 no
O1 C3 H4 88.0(3) 1_655 1_655 1_655 no
O1 C3 H4 88.0(3) 1_655 1_655 1_655 no
O1 C3 H5 41.1(6) 1_655 1_655 1_655 no
O1 C3 H6 67.3(3) 1_655 1_655 1_655 no
O1 C3 H6 67.3(3) 1_655 1_655 1_655 no
N1 C3 N2 59.47(6) . . . ?
N1 C3 C1 29.49(6) . . . ?
N1 C3 C2 30.27(8) . . . ?
N1 C3 C4 89.72(11) . . . ?
N1 C3 C5 59.22(7) . . . ?
N1 C3 C5 123.13(4) . . . ?
N1 C3 C5 123.13(4) . . . ?
N1 C3 C6 119.42(9) . . . ?
N1 C3 C7 69.96(6) . . . ?
N1 C3 H1 8.7(4) . . . no
N1 C3 H2 53.3(3) . . . no
N1 C3 H2 53.3(3) . . . no
N1 C3 H2 135.8(3) . . . no
N1 C3 H2 135.8(3) . . . no
N1 C3 H3 78.6(6) . . . no
N1 C3 H3 112.6(4) . . . no
N1 C3 H3 112.6(4) . . . no
N1 C3 H4 148.7(12) . . . no
N1 C3 H4 91.7(3) . . . no
N1 C3 H4 91.7(3) . . . no
N1 C3 H5 139.5(6) . . . no
N1 C3 H6 113.2(3) . . . no
N1 C3 H6 113.2(3) . . . no
N2 C3 C1 29.97(6) . . . ?
N2 C3 C2 89.74(11) . . . ?
N2 C3 C4 30.25(9) . . . ?
N2 C3 C5 118.69(9) . . . ?
N2 C3 C5 106.15(5) . . . ?
N2 C3 C5 106.11(5) . . . ?
N2 C3 C6 59.95(7) . . . ?
N2 C3 C7 10.49(5) . . . ?
N2 C3 H1 68.2(4) . . . no
N2 C3 H2 111.5(4) . . . no
N2 C3 H2 111.5(4) . . . no
N2 C3 H2 107.1(3) . . . no
N2 C3 H2 107.2(3) . . . no
N2 C3 H3 138.1(6) . . . no
N2 C3 H3 95.9(4) . . . no
N2 C3 H3 95.9(4) . . . no
N2 C3 H4 151.8(12) . . . no
N2 C3 H4 114.1(3) . . . no
N2 C3 H4 114.0(3) . . . no
N2 C3 H5 80.0(6) . . . no
N2 C3 H6 55.6(3) . . . no
N2 C3 H6 55.6(3) . . . no
C1 C3 C2 59.77(9) . . . ?
C1 C3 C4 60.22(9) . . . ?
C1 C3 C5 88.72(8) . . . ?
C1 C3 C5 118.43(4) . . . ?
C1 C3 C5 118.40(4) . . . ?
C1 C3 C6 89.92(8) . . . ?
C1 C3 C7 40.46(5) . . . ?
C1 C3 H1 38.2(4) . . . no
C1 C3 H2 82.1(4) . . . no
C1 C3 H2 82.1(4) . . . no
C1 C3 H2 125.8(3) . . . no
C1 C3 H2 125.8(3) . . . no
C1 C3 H3 108.1(6) . . . no
C1 C3 H3 106.4(4) . . . no
C1 C3 H3 106.3(4) . . . no
C1 C3 H4 178.2(12) . . . no
C1 C3 H4 104.5(3) . . . no
C1 C3 H4 104.5(3) . . . no
C1 C3 H5 110.0(6) . . . no
C1 C3 H6 84.6(3) . . . no
C1 C3 H6 84.6(3) . . . no
C2 C3 C4 120.0(2) . . . ?
C2 C3 C5 28.95(9) . . . ?
C2 C3 C5 118.15(5) . . . ?
C2 C3 C5 118.17(5) . . . ?
C2 C3 C6 149.69(13) . . . ?
C2 C3 C7 100.23(10) . . . ?
C2 C3 H1 21.6(4) . . . no
C2 C3 H2 24.8(4) . . . no
C2 C3 H2 24.8(4) . . . no
C2 C3 H2 131.3(3) . . . no
C2 C3 H2 131.3(3) . . . no
C2 C3 H3 48.4(6) . . . no
C2 C3 H3 112.7(3) . . . no
C2 C3 H3 112.7(3) . . . no
C2 C3 H4 118.5(12) . . . no
C2 C3 H4 78.2(3) . . . no
C2 C3 H4 78.2(3) . . . no
C2 C3 H5 169.8(6) . . . no
C2 C3 H6 142.0(4) . . . no
C2 C3 H6 142.0(4) . . . no
C4 C3 C5 148.94(13) . . . ?
C4 C3 C5 90.19(7) . . . ?
C4 C3 C5 90.15(7) . . . ?
C4 C3 C6 29.70(9) . . . ?
C4 C3 C7 19.76(9) . . . ?
C4 C3 H1 98.4(4) . . . no
C4 C3 H2 140.7(4) . . . no
C4 C3 H2 140.7(4) . . . no
C4 C3 H2 85.6(3) . . . no
C4 C3 H2 85.6(3) . . . no
C4 C3 H3 168.4(6) . . . no
C4 C3 H3 84.0(4) . . . no
C4 C3 H3 83.9(4) . . . no
C4 C3 H4 121.5(12) . . . no
C4 C3 H4 117.1(3) . . . no
C4 C3 H4 117.1(3) . . . no
C4 C3 H5 49.8(6) . . . no
C4 C3 H6 27.6(4) . . . no
C4 C3 H6 27.6(4) . . . no
C5 C3 C5 106.21(5) . . . ?
C5 C3 C5 106.25(5) . . . ?
C5 C3 C6 178.64(10) . . . ?
C5 C3 C7 129.18(8) . . . ?
C5 C3 H1 50.5(4) . . . no
C5 C3 H2 13.3(4) . . . no
C5 C3 H2 13.3(4) . . . no
C5 C3 H2 115.9(3) . . . no
C5 C3 H2 115.9(3) . . . no
C5 C3 H3 19.4(5) . . . no
C5 C3 H3 106.8(3) . . . no
C5 C3 H3 106.8(3) . . . no
C5 C3 H4 89.5(12) . . . no
C5 C3 H4 67.9(3) . . . no
C5 C3 H4 67.9(3) . . . no
C5 C3 H5 161.3(6) . . . no
C5 C3 H6 164.7(4) . . . no
C5 C3 H6 164.7(4) . . . no
C5 C3 C5 113.74(7) 2_747 2_747 2_747 ?
C5 C3 C6 74.46(5) 2_747 2_747 2_747 ?
C5 C3 C7 100.83(5) 2_747 2_747 2_747 ?
C5 C3 H1 122.70(6) 2_747 2_747 2_747 no
C5 C3 H2 99.2(4) 2_747 2_747 2_747 no
C5 C3 H2 119.5(4) 2_747 2_747 2_747 no
C5 C3 H2 100.8(3) 2_747 2_747 2_747 no
C5 C3 H2 13.7(3) 2_747 2_747 2_747 no
C5 C3 H3 96.1(3) 2_747 2_747 2_747 no
C5 C3 H3 12.1(4) 2_747 2_747 2_747 no
C5 C3 H3 123.9(4) 2_747 2_747 2_747 no
C5 C3 H4 62.1(4) 2_747 2_747 2_747 no
C5 C3 H4 40.4(3) 2_747 2_747 2_747 no
C5 C3 H4 136.8(3) 2_747 2_747 2_747 no
C5 C3 H5 65.5(2) 2_747 2_747 2_747 no
C5 C3 H6 65.6(4) 2_747 2_747 2_747 no
C5 C3 H6 89.1(4) 2_747 2_747 2_747 no
C5 C3 C6 74.42(5) 2_757 2_757 2_757 ?
C5 C3 C7 100.79(5) 2_757 2_757 2_757 ?
C5 C3 H1 122.70(6) 2_757 2_757 2_757 no
C5 C3 H2 119.6(4) 2_757 2_757 2_757 no
C5 C3 H2 99.2(4) 2_757 2_757 2_757 no
C5 C3 H2 13.7(3) 2_757 2_757 2_757 no
C5 C3 H2 100.8(3) 2_757 2_757 2_757 no
C5 C3 H3 96.2(3) 2_757 2_757 2_757 no
C5 C3 H3 123.9(4) 2_757 2_757 2_757 no
C5 C3 H3 12.1(4) 2_757 2_757 2_757 no
C5 C3 H4 62.2(4) 2_757 2_757 2_757 no
C5 C3 H4 136.8(3) 2_757 2_757 2_757 no
C5 C3 H4 40.4(3) 2_757 2_757 2_757 no
C5 C3 H5 65.4(2) 2_757 2_757 2_757 no
C5 C3 H6 89.0(4) 2_757 2_757 2_757 no
C5 C3 H6 65.5(4) 2_757 2_757 2_757 no
C6 C3 C7 49.46(6) . . . ?
C6 C3 H1 128.1(4) . . . no
C6 C3 H2 166.0(4) . . . no
C6 C3 H2 166.0(4) . . . no
C6 C3 H2 65.0(3) . . . no
C6 C3 H2 65.0(3) . . . no
C6 C3 H3 161.9(6) . . . no
C6 C3 H3 73.6(3) . . . no
C6 C3 H3 73.6(3) . . . no
C6 C3 H4 91.8(12) . . . no
C6 C3 H4 112.5(3) . . . no
C6 C3 H4 112.5(3) . . . no
C6 C3 H5 20.1(6) . . . no
C6 C3 H6 14.8(4) . . . no
C6 C3 H6 14.8(4) . . . no
C7 C3 H1 78.6(4) . . . no
C7 C3 H2 121.7(3) . . . no
C7 C3 H2 121.7(3) . . . no
C7 C3 H2 99.8(3) . . . no
C7 C3 H2 99.8(3) . . . no
C7 C3 H3 148.6(6) . . . no
C7 C3 H3 91.8(4) . . . no
C7 C3 H3 91.8(4) . . . no
C7 C3 H4 141.3(12) . . . no
C7 C3 H4 116.0(3) . . . no
C7 C3 H4 116.0(3) . . . no
C7 C3 H5 69.5(6) . . . no
C7 C3 H6 45.7(3) . . . no
C7 C3 H6 45.7(3) . . . no
H1 C3 H2 44.9(5) . . . no
H1 C3 H2 44.9(5) . . . no
H1 C3 H2 136.2(3) . . . no
H1 C3 H2 136.2(3) . . . no
H1 C3 H3 69.9(6) . . . no
H1 C3 H3 113.3(4) . . . no
H1 C3 H3 113.3(4) . . . no
H1 C3 H4 140.1(12) . . . no
H1 C3 H4 87.7(4) . . . no
H1 C3 H4 87.7(4) . . . no
H1 C3 H5 148.2(7) . . . no
H1 C3 H6 121.6(5) . . . no
H1 C3 H6 121.6(5) . . . no
H2 C3 H2 23.0(8) . . . no
H2 C3 H2 129.0(5) . . . no
H2 C3 H2 110.7(4) . . . no
H2 C3 H3 28.4(6) . . . no
H2 C3 H3 97.5(5) . . . no
H2 C3 H3 119.7(5) . . . no
H2 C3 H4 96.2(12) . . . no
H2 C3 H4 59.1(5) . . . no
H2 C3 H4 80.9(5) . . . no
H2 C3 H5 163.5(6) . . . no
H2 C3 H6 151.4(5) . . . no
H2 C3 H6 166.5(5) . . . no
H2 C3 H2 110.7(4) 4 4 4 no
H2 C3 H2 129.0(5) 4 4 4 no
H2 C3 H3 28.4(6) 4 4 4 no
H2 C3 H3 119.7(5) 4 4 4 no
H2 C3 H3 97.5(5) 4 4 4 no
H2 C3 H4 96.2(12) 4 4 4 no
H2 C3 H4 80.8(5) 4 4 4 no
H2 C3 H4 59.1(5) 4 4 4 no
H2 C3 H5 163.5(6) 4 4 4 no
H2 C3 H6 166.5(5) 4 4 4 no
H2 C3 H6 151.4(5) 4 4 4 no
H2 C3 H2 87.6(6) 2_757 2_757 2_757 no
H2 C3 H3 102.8(5) 2_757 2_757 2_757 no
H2 C3 H3 110.5(5) 2_757 2_757 2_757 no
H2 C3 H3 23.2(4) 2_757 2_757 2_757 no
H2 C3 H4 55.2(7) 2_757 2_757 2_757 no
H2 C3 H4 129.1(4) 2_757 2_757 2_757 no
H2 C3 H4 53.1(4) 2_757 2_757 2_757 no
H2 C3 H5 53.3(4) 2_757 2_757 2_757 no
H2 C3 H6 79.0(4) 2_757 2_757 2_757 no
H2 C3 H6 58.7(4) 2_757 2_757 2_757 no
H2 C3 H3 102.7(5) 3_757 3_757 3_757 no
H2 C3 H3 23.2(4) 3_757 3_757 3_757 no
H2 C3 H3 110.5(5) 3_757 3_757 3_757 no
H2 C3 H4 55.1(7) 3_757 3_757 3_757 no
H2 C3 H4 53.1(4) 3_757 3_757 3_757 no
H2 C3 H4 129.1(4) 3_757 3_757 3_757 no
H2 C3 H5 53.3(4) 3_757 3_757 3_757 no
H2 C3 H6 58.8(4) 3_757 3_757 3_757 no
H2 C3 H6 79.0(4) 3_757 3_757 3_757 no
H3 C3 H3 100.4(4) . . . no
H3 C3 H3 100.4(4) . . . no
H3 C3 H4 70.1(13) . . . no
H3 C3 H4 63.8(3) . . . no
H3 C3 H4 63.9(3) . . . no
H3 C3 H5 141.9(8) . . . no
H3 C3 H6 161.5(5) . . . no
H3 C3 H6 161.5(5) . . . no
H3 C3 H3 133.0(7) 2_747 2_747 2_747 no
H3 C3 H4 74.2(5) 2_747 2_747 2_747 no
H3 C3 H4 38.9(4) 2_747 2_747 2_747 no
H3 C3 H4 148.6(5) 2_747 2_747 2_747 no
H3 C3 H5 68.8(3) 2_747 2_747 2_747 no
H3 C3 H6 62.4(5) 2_747 2_747 2_747 no
H3 C3 H6 88.4(5) 2_747 2_747 2_747 no
H3 C3 H4 74.2(5) 2_757 2_757 2_757 no
H3 C3 H4 148.6(5) 2_757 2_757 2_757 no
H3 C3 H4 38.9(4) 2_757 2_757 2_757 no
H3 C3 H5 68.8(3) 2_757 2_757 2_757 no
H3 C3 H6 88.3(5) 2_757 2_757 2_757 no
H3 C3 H6 62.3(5) 2_757 2_757 2_757 no
H4 C3 H4 74.8(6) . . . no
H4 C3 H4 74.8(6) . . . no
H4 C3 H5 71.8(13) . . . no
H4 C3 H6 97.1(12) . . . no
H4 C3 H6 97.1(12) . . . no
H4 C3 H4 125.7(5) 2_747 2_747 2_747 no
H4 C3 H5 105.9(3) 2_747 2_747 2_747 no
H4 C3 H6 100.5(4) 2_747 2_747 2_747 no
H4 C3 H6 127.2(5) 2_747 2_747 2_747 no
H4 C3 H5 105.8(3) 2_757 2_757 2_757 no
H4 C3 H6 127.1(5) 2_757 2_757 2_757 no
H4 C3 H6 100.4(4) 2_757 2_757 2_757 no
H5 C3 H6 28.8(6) . . . no
H5 C3 H6 28.8(6) . . . no
H6 C3 H6 27.5(7) . . . no
CL2 C4 CL2 140.47(5) . . . ?
CL2 C4 O1 70.77(3) . . . ?
CL2 C4 O1 107.81(3) . . . ?
CL2 C4 N1 72.46(3) . . . ?
CL2 C4 N2 73.41(4) . . . ?
CL2 C4 C1 70.27(3) . . . ?
CL2 C4 C2 79.31(4) . . . ?
CL2 C4 C3 88.87(5) . . . ?
CL2 C4 C5 82.23(4) . . . ?
CL2 C4 C6 107.11(4) . . . ?
CL2 C4 C7 81.08(4) . . . ?
CL2 C4 C8 62.81(4) . . . ?
CL2 C4 C8 102.86(5) . . . ?
CL2 C4 H1 72.50(7) . . . no
CL2 C4 H3 86.30(12) . . . no
CL2 C4 H3 44.3(3) . . . no
CL2 C4 H3 163.3(3) . . . no
CL2 C4 H4 96.4(2) . . . no
CL2 C4 H5 109.67(4) . . . no
CL2 C4 H6 82.9(6) . . . no
CL2 C4 H6 124.7(6) . . . no
CL2 C4 H7 46.2(4) . . . no
CL2 C4 H7 116.7(4) . . . no
CL2 C4 O1 70.76(3) 1_565 1_565 1_565 ?
CL2 C4 O1 107.84(3) 1_565 1_565 1_565 ?
CL2 C4 N1 72.48(3) 1_565 1_565 1_565 ?
CL2 C4 N2 73.38(4) 1_565 1_565 1_565 ?
CL2 C4 C1 70.27(3) 1_565 1_565 1_565 ?
CL2 C4 C2 79.34(4) 1_565 1_565 1_565 ?
CL2 C4 C3 88.91(5) 1_565 1_565 1_565 ?
CL2 C4 C5 82.27(4) 1_565 1_565 1_565 ?
CL2 C4 C6 107.09(4) 1_565 1_565 1_565 ?
CL2 C4 C7 81.03(4) 1_565 1_565 1_565 ?
CL2 C4 C8 102.82(5) 1_565 1_565 1_565 ?
CL2 C4 C8 62.77(4) 1_565 1_565 1_565 ?
CL2 C4 H1 72.52(7) 1_565 1_565 1_565 no
CL2 C4 H3 86.35(12) 1_565 1_565 1_565 no
CL2 C4 H3 163.3(3) 1_565 1_565 1_565 no
CL2 C4 H3 44.3(3) 1_565 1_565 1_565 no
CL2 C4 H4 96.4(2) 1_565 1_565 1_565 no
CL2 C4 H5 109.67(4) 1_565 1_565 1_565 no
CL2 C4 H6 124.7(6) 1_565 1_565 1_565 no
CL2 C4 H6 82.8(6) 1_565 1_565 1_565 no
CL2 C4 H7 116.7(4) 1_565 1_565 1_565 no
CL2 C4 H7 46.1(4) 1_565 1_565 1_565 no
O1 C4 O1 167.89(7) . . . ?
O1 C4 N1 40.07(4) . . . ?
O1 C4 N2 19.28(8) . . . ?
O1 C4 C1 9.68(5) . . . ?
O1 C4 C2 69.84(6) . . . ?
O1 C4 C3 99.76(11) . . . ?
O1 C4 C5 79.54(6) . . . ?
O1 C4 C6 137.37(12) . . . ?
O1 C4 C7 49.58(6) . . . ?
O1 C4 C8 57.73(5) . . . ?
O1 C4 C8 57.74(5) . . . ?
O1 C4 H1 40.3(4) . . . no
O1 C4 H3 92.1(4) . . . no
O1 C4 H3 114.4(3) . . . no
O1 C4 H3 114.4(3) . . . no
O1 C4 H4 122.3(5) . . . no
O1 C4 H5 161.4(7) . . . no
O1 C4 H6 119.6(5) . . . no
O1 C4 H6 119.5(5) . . . no
O1 C4 H7 59.3(3) . . . no
O1 C4 H7 59.3(3) . . . no
O1 C4 N1 127.82(6) 1_655 1_655 1_655 ?
O1 C4 N2 172.83(12) 1_655 1_655 1_655 ?
O1 C4 C1 158.21(8) 1_655 1_655 1_655 ?
O1 C4 C2 98.05(7) 1_655 1_655 1_655 ?
O1 C4 C3 68.12(10) 1_655 1_655 1_655 ?
O1 C4 C5 88.35(5) 1_655 1_655 1_655 ?
O1 C4 C6 54.74(10) 1_655 1_655 1_655 ?
O1 C4 C7 142.53(8) 1_655 1_655 1_655 ?
O1 C4 C8 133.03(6) 1_655 1_655 1_655 ?
O1 C4 C8 133.03(6) 1_655 1_655 1_655 ?
O1 C4 H1 127.6(4) 1_655 1_655 1_655 no
O1 C4 H3 75.8(4) 1_655 1_655 1_655 no
O1 C4 H3 63.6(3) 1_655 1_655 1_655 no
O1 C4 H3 63.6(3) 1_655 1_655 1_655 no
O1 C4 H4 45.6(5) 1_655 1_655 1_655 no
O1 C4 H5 30.7(7) 1_655 1_655 1_655 no
O1 C4 H6 71.5(5) 1_655 1_655 1_655 no
O1 C4 H6 71.5(5) 1_655 1_655 1_655 no
O1 C4 H7 128.8(4) 1_655 1_655 1_655 no
O1 C4 H7 128.8(4) 1_655 1_655 1_655 no
N1 C4 N2 59.35(9) . . . ?
N1 C4 C1 30.39(5) . . . ?
N1 C4 C2 29.77(5) . . . ?
N1 C4 C3 59.69(10) . . . ?
N1 C4 C5 39.47(5) . . . ?
N1 C4 C6 177.44(12) . . . ?
N1 C4 C7 89.65(7) . . . ?
N1 C4 C8 94.80(6) . . . ?
N1 C4 C8 94.80(6) . . . ?
N1 C4 H1 0.3(4) . . . no
N1 C4 H3 52.1(4) . . . no
N1 C4 H3 100.8(3) . . . no
N1 C4 H3 100.9(3) . . . no
N1 C4 H4 82.3(5) . . . no
N1 C4 H5 158.5(7) . . . no
N1 C4 H6 152.2(6) . . . no
N1 C4 H6 152.2(6) . . . no
N1 C4 H7 90.1(3) . . . no
N1 C4 H7 90.1(3) . . . no
N2 C4 C1 28.96(8) . . . ?
N2 C4 C2 89.12(11) . . . ?
N2 C4 C3 119.0(2) . . . ?
N2 C4 C5 98.82(11) . . . ?
N2 C4 C6 118.1(2) . . . ?
N2 C4 C7 30.30(9) . . . ?
N2 C4 C8 40.85(7) . . . ?
N2 C4 C8 40.86(7) . . . ?
N2 C4 H1 59.6(4) . . . no
N2 C4 H3 111.4(4) . . . no
N2 C4 H3 117.1(3) . . . no
N2 C4 H3 117.0(3) . . . no
N2 C4 H4 141.6(6) . . . no
N2 C4 H5 142.1(7) . . . no
N2 C4 H6 101.9(5) . . . no
N2 C4 H6 101.8(5) . . . no
N2 C4 H7 47.0(4) . . . no
N2 C4 H7 46.9(4) . . . no
C1 C4 C2 60.16(7) . . . ?
C1 C4 C3 90.08(12) . . . ?
C1 C4 C5 69.86(7) . . . ?
C1 C4 C6 147.05(13) . . . ?
C1 C4 C7 59.26(7) . . . ?
C1 C4 C8 66.57(6) . . . ?
C1 C4 C8 66.57(6) . . . ?
C1 C4 H1 30.6(4) . . . no
C1 C4 H3 82.4(4) . . . no
C1 C4 H3 111.9(3) . . . no
C1 C4 H3 111.9(3) . . . no
C1 C4 H4 112.6(5) . . . no
C1 C4 H5 171.1(7) . . . no
C1 C4 H6 128.2(5) . . . no
C1 C4 H6 128.2(5) . . . no
C1 C4 H7 66.4(3) . . . no
C1 C4 H7 66.4(3) . . . no
C2 C4 C3 29.92(9) . . . ?
C2 C4 C5 9.70(5) . . . ?
C2 C4 C6 152.79(13) . . . ?
C2 C4 C7 119.42(9) . . . ?
C2 C4 C8 122.26(7) . . . ?
C2 C4 C8 122.27(7) . . . ?
C2 C4 H1 29.5(4) . . . no
C2 C4 H3 22.3(4) . . . no
C2 C4 H3 87.5(3) . . . no
C2 C4 H3 87.5(3) . . . no
C2 C4 H4 52.5(5) . . . no
C2 C4 H5 128.8(7) . . . no
C2 C4 H6 155.4(5) . . . no
C2 C4 H6 155.5(5) . . . no
C2 C4 H7 113.3(3) . . . no
C2 C4 H7 113.4(3) . . . no
C3 C4 C5 20.22(9) . . . ?
C3 C4 C6 122.9(2) . . . ?
C3 C4 C7 149.34(13) . . . ?
C3 C4 C8 147.57(10) . . . ?
C3 C4 C8 147.58(10) . . . ?
C3 C4 H1 59.4(4) . . . no
C3 C4 H3 7.6(4) . . . no
C3 C4 H3 74.6(3) . . . no
C3 C4 H3 74.7(3) . . . no
C3 C4 H4 22.6(5) . . . no
C3 C4 H5 98.8(7) . . . no
C3 C4 H6 133.8(5) . . . no
C3 C4 H6 133.9(5) . . . no
C3 C4 H7 133.4(4) . . . no
C3 C4 H7 133.4(4) . . . no
C5 C4 C6 143.09(12) . . . ?
C5 C4 C7 129.12(8) . . . ?
C5 C4 C8 130.92(6) . . . ?
C5 C4 C8 130.92(6) . . . ?
C5 C4 H1 39.2(4) . . . no
C5 C4 H3 12.6(3) . . . no
C5 C4 H3 83.1(3) . . . no
C5 C4 H3 83.1(3) . . . no
C5 C4 H4 42.8(5) . . . no
C5 C4 H5 119.1(7) . . . no
C5 C4 H6 149.8(5) . . . no
C5 C4 H6 149.8(5) . . . no
C5 C4 H7 120.4(3) . . . no
C5 C4 H7 120.5(3) . . . no
C6 C4 C7 87.80(12) . . . ?
C6 C4 C8 82.82(10) . . . ?
C6 C4 C8 82.81(10) . . . ?
C6 C4 H1 177.7(4) . . . no
C6 C4 H3 130.5(4) . . . no
C6 C4 H3 80.3(3) . . . no
C6 C4 H3 80.2(3) . . . no
C6 C4 H4 100.3(6) . . . no
C6 C4 H5 24.0(7) . . . no
C6 C4 H6 26.3(5) . . . no
C6 C4 H6 26.3(5) . . . no
C6 C4 H7 87.9(3) . . . no
C6 C4 H7 87.8(3) . . . no
C7 C4 C8 21.84(4) . . . ?
C7 C4 C8 21.83(4) . . . ?
C7 C4 H1 89.9(4) . . . no
C7 C4 H3 141.7(4) . . . no
C7 C4 H3 114.7(3) . . . no
C7 C4 H3 114.7(3) . . . no
C7 C4 H4 171.9(5) . . . no
C7 C4 H5 111.8(7) . . . no
C7 C4 H6 73.7(5) . . . no
C7 C4 H6 73.7(5) . . . no
C7 C4 H7 37.4(4) . . . no
C7 C4 H7 37.4(4) . . . no
C8 C4 C8 42.32(7) . . . ?
C8 C4 H1 95.0(3) . . . no
C8 C4 H3 141.6(3) . . . no
C8 C4 H3 92.9(3) . . . no
C8 C4 H3 133.8(3) . . . no
C8 C4 H4 158.68(7) . . . no
C8 C4 H5 105.2(6) . . . no
C8 C4 H6 61.8(5) . . . no
C8 C4 H6 78.1(5) . . . no
C8 C4 H7 16.8(4) . . . no
C8 C4 H7 58.7(4) . . . no
C8 C4 H1 95.0(3) 4 4 4 no
C8 C4 H3 141.6(3) 4 4 4 no
C8 C4 H3 133.8(3) 4 4 4 no
C8 C4 H3 92.9(3) 4 4 4 no
C8 C4 H4 158.69(7) 4 4 4 no
C8 C4 H5 105.2(6) 4 4 4 no
C8 C4 H6 78.1(5) 4 4 4 no
C8 C4 H6 61.8(5) 4 4 4 no
C8 C4 H7 58.7(4) 4 4 4 no
C8 C4 H7 16.8(4) 4 4 4 no
H1 C4 H3 51.8(5) . . . no
H1 C4 H3 100.7(4) . . . no
H1 C4 H3 100.8(4) . . . no
H1 C4 H4 82.0(6) . . . no
H1 C4 H5 158.3(8) . . . no
H1 C4 H6 152.4(6) . . . no
H1 C4 H6 152.4(6) . . . no
H1 C4 H7 90.3(4) . . . no
H1 C4 H7 90.3(4) . . . no
H3 C4 H3 77.7(4) . . . no
H3 C4 H3 77.7(4) . . . no
H3 C4 H4 30.2(7) . . . no
H3 C4 H5 106.5(8) . . . no
H3 C4 H6 140.3(6) . . . no
H3 C4 H6 140.3(6) . . . no
H3 C4 H7 128.9(4) . . . no
H3 C4 H7 128.9(4) . . . no
H3 C4 H3 125.5(7) 2_747 2_747 2_747 no
H3 C4 H4 67.2(4) 2_747 2_747 2_747 no
H3 C4 H5 70.9(4) 2_747 2_747 2_747 no
H3 C4 H6 68.0(6) 2_747 2_747 2_747 no
H3 C4 H6 106.3(7) 2_747 2_747 2_747 no
H3 C4 H7 78.0(6) 2_747 2_747 2_747 no
H3 C4 H7 150.6(5) 2_747 2_747 2_747 no
H3 C4 H4 67.2(4) 2_757 2_757 2_757 no
H3 C4 H5 70.9(4) 2_757 2_757 2_757 no
H3 C4 H6 106.3(7) 2_757 2_757 2_757 no
H3 C4 H6 67.9(6) 2_757 2_757 2_757 no
H3 C4 H7 150.5(5) 2_757 2_757 2_757 no
H3 C4 H7 77.9(6) 2_757 2_757 2_757 no
H4 C4 H5 76.3(9) . . . no
H4 C4 H6 113.7(7) . . . no
H4 C4 H6 113.7(7) . . . no
H4 C4 H7 142.0(4) . . . no
H4 C4 H7 142.0(4) . . . no
H5 C4 H6 44.1(7) . . . no
H5 C4 H6 44.1(7) . . . no
H5 C4 H7 106.8(6) . . . no
H5 C4 H7 106.8(6) . . . no
H6 C4 H6 43.3(11) . . . no
H6 C4 H7 63.1(6) . . . no
H6 C4 H7 89.7(6) . . . no
H6 C4 H7 89.7(6) 4 4 4 no
H6 C4 H7 63.1(6) 4 4 4 no
H7 C4 H7 74.7(8) . . . no
CL1 C5 CL2 96.55(6) 1_656 1_656 1_656 ?
CL1 C5 CL2 73.04(4) 1_656 1_656 1_656 ?
CL1 C5 O1 88.95(4) 1_656 1_656 1_656 ?
CL1 C5 O1 89.00(4) 1_656 1_656 1_656 ?
CL1 C5 N1 150.32(10) 1_656 1_656 1_656 ?
CL1 C5 C1 158.29(8) 1_656 1_656 1_656 ?
CL1 C5 C2 179.8(1) 1_656 1_656 1_656 ?
CL1 C5 C3 153.34(9) 1_656 1_656 1_656 ?
CL1 C5 C3 92.21(4) 1_656 1_656 1_656 ?
CL1 C5 C3 92.25(4) 1_656 1_656 1_656 ?
CL1 C5 C4 164.17(8) 1_656 1_656 1_656 ?
CL1 C5 H1 129.1(6) 1_656 1_656 1_656 no
CL1 C5 H2 67.6(11) 1_656 1_656 1_656 no
CL1 C5 H2 67.6(11) 1_656 1_656 1_656 no
CL1 C5 H3 67.5(14) 1_656 1_656 1_656 no
CL1 C5 H4 133.7(4) 1_656 1_656 1_656 no
CL1 C5 H4 98.9(3) 1_656 1_656 1_656 no
CL1 C5 H4 98.9(3) 1_656 1_656 1_656 no
CL1 C5 H5 63.4(3) 1_656 1_656 1_656 no
CL1 C5 H5 63.4(3) 1_656 1_656 1_656 no
CL1 C5 H6 46.3(3) 1_656 1_656 1_656 no
CL1 C5 H6 46.3(3) 1_656 1_656 1_656 no
CL2 C5 CL2 169.59(6) 2_657 2_657 2_657 ?
CL2 C5 O1 67.76(4) 2_657 2_657 2_657 ?
CL2 C5 O1 67.75(4) 2_657 2_657 2_657 ?
CL2 C5 N1 53.77(6) 2_657 2_657 2_657 ?
CL2 C5 C1 61.74(5) 2_657 2_657 2_657 ?
CL2 C5 C2 83.66(10) 2_657 2_657 2_657 ?
CL2 C5 C3 110.11(7) 2_657 2_657 2_657 ?
CL2 C5 C3 122.50(4) 2_657 2_657 2_657 ?
CL2 C5 C3 122.48(4) 2_657 2_657 2_657 ?
CL2 C5 C4 99.27(5) 2_657 2_657 2_657 ?
CL2 C5 H1 32.5(6) 2_657 2_657 2_657 no
CL2 C5 H2 54.3(12) 2_657 2_657 2_657 no
CL2 C5 H2 54.3(12) 2_657 2_657 2_657 no
CL2 C5 H3 164.1(15) 2_657 2_657 2_657 no
CL2 C5 H4 129.8(4) 2_657 2_657 2_657 no
CL2 C5 H4 110.8(3) 2_657 2_657 2_657 no
CL2 C5 H4 110.8(3) 2_657 2_657 2_657 no
CL2 C5 H5 97.7(4) 2_657 2_657 2_657 no
CL2 C5 H5 97.7(4) 2_657 2_657 2_657 no
CL2 C5 H6 111.6(3) 2_657 2_657 2_657 no
CL2 C5 H6 111.6(3) 2_657 2_657 2_657 no
CL2 C5 O1 111.16(4) 2_757 2_757 2_757 ?
CL2 C5 O1 111.18(4) 2_757 2_757 2_757 ?
CL2 C5 N1 136.64(9) 2_757 2_757 2_757 ?
CL2 C5 C1 128.67(7) 2_757 2_757 2_757 ?
CL2 C5 C2 106.75(12) 2_757 2_757 2_757 ?
CL2 C5 C3 80.30(7) 2_757 2_757 2_757 ?
CL2 C5 C3 59.32(4) 2_757 2_757 2_757 ?
CL2 C5 C3 59.34(4) 2_757 2_757 2_757 ?
CL2 C5 C4 91.14(6) 2_757 2_757 2_757 ?
CL2 C5 H1 157.9(6) 2_757 2_757 2_757 no
CL2 C5 H2 119.5(12) 2_757 2_757 2_757 no
CL2 C5 H2 119.5(12) 2_757 2_757 2_757 no
CL2 C5 H3 5.5(14) 2_757 2_757 2_757 no
CL2 C5 H4 60.7(4) 2_757 2_757 2_757 no
CL2 C5 H4 71.7(3) 2_757 2_757 2_757 no
CL2 C5 H4 71.7(3) 2_757 2_757 2_757 no
CL2 C5 H5 77.8(4) 2_757 2_757 2_757 no
CL2 C5 H5 77.9(4) 2_757 2_757 2_757 no
CL2 C5 H6 61.3(3) 2_757 2_757 2_757 no
CL2 C5 H6 61.3(3) 2_757 2_757 2_757 no
O1 C5 O1 134.90(8) 2_647 2_647 2_647 ?
O1 C5 N1 79.99(5) 2_647 2_647 2_647 ?
O1 C5 C1 82.84(4) 2_647 2_647 2_647 ?
O1 C5 C2 91.13(6) 2_647 2_647 2_647 ?
O1 C5 C3 100.85(5) 2_647 2_647 2_647 ?
O1 C5 C3 55.68(3) 2_647 2_647 2_647 ?
O1 C5 C3 169.40(7) 2_647 2_647 2_647 ?
O1 C5 C4 97.01(4) 2_647 2_647 2_647 ?
O1 C5 H1 73.4(2) 2_647 2_647 2_647 no
O1 C5 H2 29.2(12) 2_647 2_647 2_647 no
O1 C5 H2 112.1(13) 2_647 2_647 2_647 no
O1 C5 H3 110.3(3) 2_647 2_647 2_647 no
O1 C5 H4 106.83(12) 2_647 2_647 2_647 no
O1 C5 H4 45.8(3) 2_647 2_647 2_647 no
O1 C5 H4 172.1(3) 2_647 2_647 2_647 no
O1 C5 H5 37.0(4) 2_647 2_647 2_647 no
O1 C5 H5 147.8(4) 2_647 2_647 2_647 no
O1 C5 H6 135.3(3) 2_647 2_647 2_647 no
O1 C5 H6 59.2(3) 2_647 2_647 2_647 no
O1 C5 N1 79.95(5) 2_657 2_657 2_657 ?
O1 C5 C1 82.79(4) 2_657 2_657 2_657 ?
O1 C5 C2 91.08(6) 2_657 2_657 2_657 ?
O1 C5 C3 100.81(5) 2_657 2_657 2_657 ?
O1 C5 C3 169.40(7) 2_657 2_657 2_657 ?
O1 C5 C3 55.68(3) 2_657 2_657 2_657 ?
O1 C5 C4 96.97(4) 2_657 2_657 2_657 ?
O1 C5 H1 73.4(2) 2_657 2_657 2_657 no
O1 C5 H2 112.1(13) 2_657 2_657 2_657 no
O1 C5 H2 29.2(12) 2_657 2_657 2_657 no
O1 C5 H3 110.3(3) 2_657 2_657 2_657 no
O1 C5 H4 106.81(12) 2_657 2_657 2_657 no
O1 C5 H4 172.1(3) 2_657 2_657 2_657 no
O1 C5 H4 45.8(3) 2_657 2_657 2_657 no
O1 C5 H5 147.8(4) 2_657 2_657 2_657 no
O1 C5 H5 37.0(4) 2_657 2_657 2_657 no
O1 C5 H6 59.2(3) 2_657 2_657 2_657 no
O1 C5 H6 135.3(3) 2_657 2_657 2_657 no
N1 C5 C1 7.97(5) . . . ?
N1 C5 C2 29.89(9) . . . ?
N1 C5 C3 56.34(7) . . . ?
N1 C5 C3 103.67(5) . . . ?
N1 C5 C3 103.63(5) . . . ?
N1 C5 C4 45.50(6) . . . ?
N1 C5 H1 21.3(6) . . . no
N1 C5 H2 91.1(12) . . . no
N1 C5 H2 91.1(12) . . . no
N1 C5 H3 142.1(15) . . . no
N1 C5 H4 76.0(4) . . . no
N1 C5 H4 92.9(3) . . . no
N1 C5 H4 92.9(3) . . . no
N1 C5 H5 115.5(4) . . . no
N1 C5 H5 115.5(4) . . . no
N1 C5 H6 138.1(3) . . . no
N1 C5 H6 138.1(3) . . . no
C1 C5 C2 21.92(9) . . . ?
C1 C5 C3 48.37(6) . . . ?
C1 C5 C3 99.54(5) . . . ?
C1 C5 C3 99.50(5) . . . ?
C1 C5 C4 37.54(4) . . . ?
C1 C5 H1 29.2(6) . . . no
C1 C5 H2 97.0(11) . . . no
C1 C5 H2 96.9(11) . . . no
C1 C5 H3 134.2(15) . . . no
C1 C5 H4 68.0(4) . . . no
C1 C5 H4 89.7(3) . . . no
C1 C5 H4 89.7(3) . . . no
C1 C5 H5 116.6(4) . . . no
C1 C5 H5 116.5(4) . . . no
C1 C5 H6 138.5(3) . . . no
C1 C5 H6 138.5(3) . . . no
C2 C5 C3 26.45(9) . . . ?
C2 C5 C3 87.67(7) . . . ?
C2 C5 C3 87.63(7) . . . ?
C2 C5 C4 15.62(9) . . . ?
C2 C5 H1 51.2(6) . . . no
C2 C5 H2 112.6(11) . . . no
C2 C5 H2 112.5(11) . . . no
C2 C5 H3 112.3(15) . . . no
C2 C5 H4 46.1(4) . . . no
C2 C5 H4 81.0(3) . . . no
C2 C5 H4 81.0(3) . . . no
C2 C5 H5 116.6(3) . . . no
C2 C5 H5 116.6(3) . . . no
C2 C5 H6 133.6(3) . . . no
C2 C5 H6 133.6(3) . . . no
C3 C5 C3 73.79(5) . . . ?
C3 C5 C3 73.75(5) . . . ?
C3 C5 C4 10.84(5) . . . ?
C3 C5 H1 77.6(6) . . . no
C3 C5 H2 128.6(12) . . . no
C3 C5 H2 128.6(12) . . . no
C3 C5 H3 85.8(15) . . . no
C3 C5 H4 19.6(4) . . . no
C3 C5 H4 72.1(3) . . . no
C3 C5 H4 72.1(3) . . . no
C3 C5 H5 111.3(3) . . . no
C3 C5 H5 111.3(3) . . . no
C3 C5 H6 119.1(3) . . . no
C3 C5 H6 119.1(3) . . . no
C3 C5 C3 113.74(7) 2_747 2_747 2_747 ?
C3 C5 C4 79.29(5) 2_747 2_747 2_747 ?
C3 C5 H1 113.5(3) 2_747 2_747 2_747 no
C3 C5 H2 78.0(13) 2_747 2_747 2_747 no
C3 C5 H2 157.6(12) 2_747 2_747 2_747 no
C3 C5 H3 60.7(4) 2_747 2_747 2_747 no
C3 C5 H4 65.1(2) 2_747 2_747 2_747 no
C3 C5 H4 12.6(3) 2_747 2_747 2_747 no
C3 C5 H4 123.7(3) 2_747 2_747 2_747 no
C3 C5 H5 39.3(4) 2_747 2_747 2_747 no
C3 C5 H5 135.8(4) 2_747 2_747 2_747 no
C3 C5 H6 115.0(3) 2_747 2_747 2_747 no
C3 C5 H6 46.6(3) 2_747 2_747 2_747 no
C3 C5 C4 79.25(5) 2_757 2_757 2_757 ?
C3 C5 H1 113.5(3) 2_757 2_757 2_757 no
C3 C5 H2 157.6(12) 2_757 2_757 2_757 no
C3 C5 H2 78.0(13) 2_757 2_757 2_757 no
C3 C5 H3 60.7(4) 2_757 2_757 2_757 no
C3 C5 H4 65.1(2) 2_757 2_757 2_757 no
C3 C5 H4 123.7(3) 2_757 2_757 2_757 no
C3 C5 H4 12.6(3) 2_757 2_757 2_757 no
C3 C5 H5 135.9(4) 2_757 2_757 2_757 no
C3 C5 H5 39.4(4) 2_757 2_757 2_757 no
C3 C5 H6 46.7(3) 2_757 2_757 2_757 no
C3 C5 H6 115.0(3) 2_757 2_757 2_757 no
C4 C5 H1 66.8(6) . . . no
C4 C5 H2 122.6(12) . . . no
C4 C5 H2 122.6(12) . . . no
C4 C5 H3 96.6(15) . . . no
C4 C5 H4 30.5(4) . . . no
C4 C5 H4 75.4(3) . . . no
C4 C5 H4 75.4(3) . . . no
C4 C5 H5 114.1(3) . . . no
C4 C5 H5 114.1(3) . . . no
C4 C5 H6 125.8(3) . . . no
C4 C5 H6 125.8(3) . . . no
H1 C5 H2 75.6(13) . . . no
H1 C5 H2 75.5(13) . . . no
H1 C5 H3 163.4(16) . . . no
H1 C5 H4 97.2(7) . . . no
H1 C5 H4 101.2(4) . . . no
H1 C5 H4 101.1(4) . . . no
H1 C5 H5 110.3(4) . . . no
H1 C5 H5 110.3(4) . . . no
H1 C5 H6 131.4(4) . . . no
H1 C5 H6 131.4(4) . . . no
H2 C5 H2 85.1(25) . . . no
H2 C5 H3 115.9(16) . . . no
H2 C5 H4 136.0(12) . . . no
H2 C5 H4 71.2(13) . . . no
H2 C5 H4 156.0(13) . . . no
H2 C5 H5 43.9(13) . . . no
H2 C5 H5 118.9(12) . . . no
H2 C5 H6 111.6(12) . . . no
H2 C5 H6 58.2(12) . . . no
H2 C5 H3 115.9(16) 4 4 4 no
H2 C5 H4 136.0(12) 4 4 4 no
H2 C5 H4 156.0(13) 4 4 4 no
H2 C5 H4 71.2(13) 4 4 4 no
H2 C5 H5 118.9(12) 4 4 4 no
H2 C5 H5 43.9(13) 4 4 4 no
H2 C5 H6 58.2(12) 4 4 4 no
H2 C5 H6 111.6(12) 4 4 4 no
H3 C5 H4 66.2(15) . . . no
H3 C5 H4 73.3(6) . . . no
H3 C5 H4 73.3(6) . . . no
H3 C5 H5 75.6(7) . . . no
H3 C5 H5 75.6(7) . . . no
H3 C5 H6 57.8(9) . . . no
H3 C5 H6 57.8(9) . . . no
H4 C5 H4 67.8(3) . . . no
H4 C5 H4 67.7(3) . . . no
H4 C5 H5 104.4(4) . . . no
H4 C5 H5 104.4(4) . . . no
H4 C5 H6 105.4(4) . . . no
H4 C5 H6 105.5(4) . . . no
H4 C5 H4 132.1(5) 2_747 2_747 2_747 no
H4 C5 H5 39.2(4) 2_747 2_747 2_747 no
H4 C5 H5 148.4(5) 2_747 2_747 2_747 no
H4 C5 H6 127.1(4) 2_747 2_747 2_747 no
H4 C5 H6 52.6(4) 2_747 2_747 2_747 no
H4 C5 H5 148.4(5) 2_757 2_757 2_757 no
H4 C5 H5 39.2(4) 2_757 2_757 2_757 no
H4 C5 H6 52.6(4) 2_757 2_757 2_757 no
H4 C5 H6 127.1(4) 2_757 2_757 2_757 no
H5 C5 H5 125.8(7) 2_747 2_747 2_747 no
H5 C5 H6 104.8(5) 2_747 2_747 2_747 no
H5 C5 H6 22.6(4) 2_747 2_747 2_747 no
H5 C5 H6 22.6(4) 2_757 2_757 2_757 no
H5 C5 H6 104.8(5) 2_757 2_757 2_757 no
H6 C5 H6 82.9(6) 2_757 2_757 2_757 no
CL1 C6 CL1 122.36(6) 2_646 2_646 2_646 ?
CL1 C6 O1 91.32(4) 2_646 2_646 2_646 ?
CL1 C6 N2 109.78(4) 2_646 2_646 2_646 ?
CL1 C6 C1 112.81(4) 2_646 2_646 2_646 ?
CL1 C6 C2 118.81(3) 2_646 2_646 2_646 ?
CL1 C6 C3 118.18(4) 2_646 2_646 2_646 ?
CL1 C6 C4 117.61(4) 2_646 2_646 2_646 ?
CL1 C6 C7 96.44(5) 2_646 2_646 2_646 ?
CL1 C6 C8 73.97(5) 2_646 2_646 2_646 ?
CL1 C6 C8 109.26(6) 2_646 2_646 2_646 ?
CL1 C6 H2 134.6(3) 2_646 2_646 2_646 no
CL1 C6 H2 53.3(3) 2_646 2_646 2_646 no
CL1 C6 H3 52.3(3) 2_646 2_646 2_646 no
CL1 C6 H3 158.4(4) 2_646 2_646 2_646 no
CL1 C6 H4 114.39(12) 2_646 2_646 2_646 no
CL1 C6 H5 86.2(7) 2_646 2_646 2_646 no
CL1 C6 H6 24.1(11) 2_646 2_646 2_646 no
CL1 C6 H6 117.3(11) 2_646 2_646 2_646 no
CL1 C6 H7 65.6(4) 2_646 2_646 2_646 no
CL1 C6 H7 124.8(4) 2_646 2_646 2_646 no
CL1 C6 H8 83.9(4) 2_646 2_646 2_646 no
CL1 C6 H8 43.6(4) 2_646 2_646 2_646 no
CL1 C6 O1 91.35(4) 2_656 2_656 2_656 ?
CL1 C6 N2 109.77(4) 2_656 2_656 2_656 ?
CL1 C6 C1 112.80(4) 2_656 2_656 2_656 ?
CL1 C6 C2 118.83(3) 2_656 2_656 2_656 ?
CL1 C6 C3 118.21(4) 2_656 2_656 2_656 ?
CL1 C6 C4 117.62(4) 2_656 2_656 2_656 ?
CL1 C6 C7 96.41(5) 2_656 2_656 2_656 ?
CL1 C6 C8 109.23(6) 2_656 2_656 2_656 ?
CL1 C6 C8 73.94(5) 2_656 2_656 2_656 ?
CL1 C6 H2 53.3(3) 2_656 2_656 2_656 no
CL1 C6 H2 134.6(3) 2_656 2_656 2_656 no
CL1 C6 H3 158.4(4) 2_656 2_656 2_656 no
CL1 C6 H3 52.3(3) 2_656 2_656 2_656 no
CL1 C6 H4 114.43(12) 2_656 2_656 2_656 no
CL1 C6 H5 86.2(7) 2_656 2_656 2_656 no
CL1 C6 H6 117.2(11) 2_656 2_656 2_656 no
CL1 C6 H6 24.1(11) 2_656 2_656 2_656 no
CL1 C6 H7 124.8(4) 2_656 2_656 2_656 no
CL1 C6 H7 65.6(4) 2_656 2_656 2_656 no
CL1 C6 H8 43.6(4) 2_656 2_656 2_656 no
CL1 C6 H8 83.8(4) 2_656 2_656 2_656 no
O1 C6 N2 132.68(9) 1_655 1_655 1_655 ?
O1 C6 C1 123.72(7) 1_655 1_655 1_655 ?
O1 C6 C2 86.37(6) 1_655 1_655 1_655 ?
O1 C6 C3 75.77(7) 1_655 1_655 1_655 ?
O1 C6 C4 103.20(12) 1_655 1_655 1_655 ?
O1 C6 C7 163.81(9) 1_655 1_655 1_655 ?
O1 C6 C8 158.89(4) 1_655 1_655 1_655 ?
O1 C6 C8 158.90(4) 1_655 1_655 1_655 ?
O1 C6 H2 48.2(3) 1_655 1_655 1_655 no
O1 C6 H2 48.2(3) 1_655 1_655 1_655 no
O1 C6 H3 69.0(4) 1_655 1_655 1_655 no
O1 C6 H3 69.0(4) 1_655 1_655 1_655 no
O1 C6 H4 56.2(4) 1_655 1_655 1_655 no
O1 C6 H5 10.6(15) 1_655 1_655 1_655 no
O1 C6 H6 115.4(11) 1_655 1_655 1_655 no
O1 C6 H6 115.4(11) 1_655 1_655 1_655 no
O1 C6 H7 143.3(4) 1_655 1_655 1_655 no
O1 C6 H7 143.3(4) 1_655 1_655 1_655 no
O1 C6 H8 113.9(3) 1_655 1_655 1_655 no
O1 C6 H8 113.9(3) 1_655 1_655 1_655 no
N2 C6 C1 8.95(4) . . . ?
N2 C6 C2 46.30(5) . . . ?
N2 C6 C3 56.91(7) . . . ?
N2 C6 C4 29.47(8) . . . ?
N2 C6 C7 31.14(5) . . . ?
N2 C6 C8 45.08(5) . . . ?
N2 C6 C8 45.09(5) . . . ?
N2 C6 H2 113.3(3) . . . no
N2 C6 H2 113.3(3) . . . no
N2 C6 H3 90.7(4) . . . no
N2 C6 H3 90.7(4) . . . no
N2 C6 H4 76.4(4) . . . no
N2 C6 H5 143.3(15) . . . no
N2 C6 H6 92.4(11) . . . no
N2 C6 H6 92.4(11) . . . no
N2 C6 H7 46.2(3) . . . no
N2 C6 H7 46.2(3) . . . no
N2 C6 H8 110.2(3) . . . no
N2 C6 H8 110.2(3) . . . no
C1 C6 C2 37.35(4) . . . ?
C1 C6 C3 47.96(6) . . . ?
C1 C6 C4 20.52(8) . . . ?
C1 C6 C7 40.09(5) . . . ?
C1 C6 C8 53.03(5) . . . ?
C1 C6 C8 53.04(5) . . . ?
C1 C6 H2 107.9(3) . . . no
C1 C6 H2 107.9(3) . . . no
C1 C6 H3 86.5(4) . . . no
C1 C6 H3 86.5(4) . . . no
C1 C6 H4 67.5(4) . . . no
C1 C6 H5 134.4(15) . . . no
C1 C6 H6 97.9(11) . . . no
C1 C6 H6 97.9(11) . . . no
C1 C6 H7 52.1(3) . . . no
C1 C6 H7 52.2(3) . . . no
C1 C6 H8 118.4(3) . . . no
C1 C6 H8 118.5(3) . . . no
C2 C6 C3 10.60(5) . . . ?
C2 C6 C4 16.83(8) . . . ?
C2 C6 C7 77.44(7) . . . ?
C2 C6 C8 87.64(6) . . . ?
C2 C6 C8 87.66(6) . . . ?
C2 C6 H2 83.3(3) . . . no
C2 C6 H2 83.2(3) . . . no
C2 C6 H3 70.4(3) . . . no
C2 C6 H3 70.4(3) . . . no
C2 C6 H4 30.1(4) . . . no
C2 C6 H5 97.0(15) . . . no
C2 C6 H6 118.5(11) . . . no
C2 C6 H6 118.6(11) . . . no
C2 C6 H7 81.3(3) . . . no
C2 C6 H7 81.3(3) . . . no
C2 C6 H8 150.2(3) . . . no
C2 C6 H8 150.2(3) . . . no
C3 C6 C4 27.43(8) . . . ?
C3 C6 C7 88.04(8) . . . ?
C3 C6 C8 97.59(8) . . . ?
C3 C6 C8 97.60(8) . . . ?
C3 C6 H2 76.3(3) . . . no
C3 C6 H2 76.3(3) . . . no
C3 C6 H3 66.9(3) . . . no
C3 C6 H3 67.0(3) . . . no
C3 C6 H4 19.5(4) . . . no
C3 C6 H5 86.4(15) . . . no
C3 C6 H6 122.9(11) . . . no
C3 C6 H6 122.9(11) . . . no
C3 C6 H7 90.1(3) . . . no
C3 C6 H7 90.1(3) . . . no
C3 C6 H8 156.5(4) . . . no
C3 C6 H8 156.5(4) . . . no
C4 C6 C7 60.61(10) . . . ?
C4 C6 C8 71.90(10) . . . ?
C4 C6 C8 71.91(10) . . . ?
C4 C6 H2 94.5(3) . . . no
C4 C6 H2 94.5(3) . . . no
C4 C6 H3 77.1(3) . . . no
C4 C6 H3 77.1(3) . . . no
C4 C6 H4 47.0(4) . . . no
C4 C6 H5 113.8(15) . . . no
C4 C6 H6 110.0(11) . . . no
C4 C6 H6 110.0(11) . . . no
C4 C6 H7 67.6(3) . . . no
C4 C6 H7 67.7(3) . . . no
C4 C6 H8 136.8(3) . . . no
C4 C6 H8 136.8(3) . . . no
C7 C6 C8 22.50(4) . . . ?
C7 C6 C8 22.50(4) . . . ?
C7 C6 H2 128.2(3) . . . no
C7 C6 H2 128.2(3) . . . no
C7 C6 H3 104.9(4) . . . no
C7 C6 H3 104.9(4) . . . no
C7 C6 H4 107.6(4) . . . no
C7 C6 H5 174.4(15) . . . no
C7 C6 H6 73.4(11) . . . no
C7 C6 H6 73.4(11) . . . no
C7 C6 H7 34.2(4) . . . no
C7 C6 H7 34.2(4) . . . no
C7 C6 H8 81.1(3) . . . no
C7 C6 H8 81.1(3) . . . no
C8 C6 C8 40.47(7) . . . ?
C8 C6 H2 150.5(3) . . . no
C8 C6 H2 111.0(3) . . . no
C8 C6 H3 89.9(4) . . . no
C8 C6 H3 127.4(4) . . . no
C8 C6 H4 115.8(4) . . . no
C8 C6 H5 159.3(3) . . . no
C8 C6 H6 51.3(11) . . . no
C8 C6 H6 85.1(11) . . . no
C8 C6 H7 15.7(3) . . . no
C8 C6 H7 54.9(4) . . . no
C8 C6 H8 80.1(3) . . . no
C8 C6 H8 65.4(3) . . . no
C8 C6 H2 110.9(3) 4 4 4 no
C8 C6 H2 150.5(3) 4 4 4 no
C8 C6 H3 127.4(4) 4 4 4 no
C8 C6 H3 89.9(4) 4 4 4 no
C8 C6 H4 115.8(4) 4 4 4 no
C8 C6 H5 159.3(3) 4 4 4 no
C8 C6 H6 85.1(11) 4 4 4 no
C8 C6 H6 51.3(11) 4 4 4 no
C8 C6 H7 55.0(4) 4 4 4 no
C8 C6 H7 15.6(3) 4 4 4 no
C8 C6 H8 65.4(3) 4 4 4 no
C8 C6 H8 80.1(3) 4 4 4 no
H2 C6 H2 95.8(7) 2_757 2_757 2_757 no
H2 C6 H3 113.0(5) 2_757 2_757 2_757 no
H2 C6 H3 23.8(4) 2_757 2_757 2_757 no
H2 C6 H4 64.4(4) 2_757 2_757 2_757 no
H2 C6 H5 50.1(5) 2_757 2_757 2_757 no
H2 C6 H6 154.2(11) 2_757 2_757 2_757 no
H2 C6 H6 74.9(11) 2_757 2_757 2_757 no
H2 C6 H7 159.4(5) 2_757 2_757 2_757 no
H2 C6 H7 95.9(5) 2_757 2_757 2_757 no
H2 C6 H8 94.2(5) 2_757 2_757 2_757 no
H2 C6 H8 126.5(5) 2_757 2_757 2_757 no
H2 C6 H3 23.8(4) 3_757 3_757 3_757 no
H2 C6 H3 113.0(5) 3_757 3_757 3_757 no
H2 C6 H4 64.3(4) 3_757 3_757 3_757 no
H2 C6 H5 50.1(5) 3_757 3_757 3_757 no
H2 C6 H6 74.9(11) 3_757 3_757 3_757 no
H2 C6 H6 154.2(11) 3_757 3_757 3_757 no
H2 C6 H7 95.9(5) 3_757 3_757 3_757 no
H2 C6 H7 159.4(5) 3_757 3_757 3_757 no
H2 C6 H8 126.5(5) 3_757 3_757 3_757 no
H2 C6 H8 94.2(5) 3_757 3_757 3_757 no
H3 C6 H3 123.2(6) 2_747 2_747 2_747 no
H3 C6 H4 62.6(3) 2_747 2_747 2_747 no
H3 C6 H5 72.9(7) 2_747 2_747 2_747 no
H3 C6 H6 66.9(11) 2_747 2_747 2_747 no
H3 C6 H6 169.5(12) 2_747 2_747 2_747 no
H3 C6 H7 74.3(5) 2_747 2_747 2_747 no
H3 C6 H7 135.9(5) 2_747 2_747 2_747 no
H3 C6 H8 136.0(5) 2_747 2_747 2_747 no
H3 C6 H8 95.7(5) 2_747 2_747 2_747 no
H3 C6 H4 62.7(3) 2_757 2_757 2_757 no
H3 C6 H5 72.9(7) 2_757 2_757 2_757 no
H3 C6 H6 169.5(12) 2_757 2_757 2_757 no
H3 C6 H6 66.9(11) 2_757 2_757 2_757 no
H3 C6 H7 135.9(5) 2_757 2_757 2_757 no
H3 C6 H7 74.3(5) 2_757 2_757 2_757 no
H3 C6 H8 95.7(5) 2_757 2_757 2_757 no
H3 C6 H8 135.9(5) 2_757 2_757 2_757 no
H4 C6 H5 66.9(16) . . . no
H4 C6 H6 127.9(11) . . . no
H4 C6 H6 127.9(11) . . . no
H4 C6 H7 106.1(5) . . . no
H4 C6 H7 106.1(5) . . . no
H4 C6 H8 157.9(4) . . . no
H4 C6 H8 157.9(4) . . . no
H5 C6 H6 109.8(14) . . . no
H5 C6 H6 109.8(14) . . . no
H5 C6 H7 145.7(4) . . . no
H5 C6 H7 145.7(4) . . . no
H5 C6 H8 104.1(15) . . . no
H5 C6 H8 104.1(15) . . . no
H6 C6 H6 102.9(22) . . . no
H6 C6 H7 46.2(11) . . . no
H6 C6 H7 100.7(12) . . . no
H6 C6 H8 73.8(12) . . . no
H6 C6 H8 33.9(11) . . . no
H6 C6 H7 100.7(12) 4 4 4 no
H6 C6 H7 46.2(11) 4 4 4 no
H6 C6 H8 33.9(11) 4 4 4 no
H6 C6 H8 73.7(12) 4 4 4 no
H7 C6 H7 68.4(8) . . . no
H7 C6 H8 92.5(5) . . . no
H7 C6 H8 69.4(4) . . . no
H7 C6 H8 69.3(4) 4 4 4 no
H7 C6 H8 92.5(5) 4 4 4 no
H8 C6 H8 41.2(8) 2_656 2_656 2_656 no
CL2 C7 CL2 113.49(4) . . . ?
CL2 C7 O1 72.64(3) . . . ?
CL2 C7 N1 58.71(3) . . . ?
CL2 C7 N2 56.74(3) . . . ?
CL2 C7 C1 61.70(3) . . . ?
CL2 C7 C3 58.59(3) . . . ?
CL2 C7 C4 61.36(3) . . . ?
CL2 C7 C6 74.43(4) . . . ?
CL2 C7 C8 62.46(8) . . . ?
CL2 C7 C8 175.71(11) . . . ?
CL2 C7 C9 93.26(5) . . . ?
CL2 C7 C9 153.22(6) . . . ?
CL2 C7 C10 123.25(3) . . . ?
CL2 C7 H5 73.8(2) . . . no
CL2 C7 H5 92.7(2) . . . no
CL2 C7 H6 67.1(4) . . . no
CL2 C7 H6 94.0(4) . . . no
CL2 C7 H7 37.7(5) . . . no
CL2 C7 H7 151.1(5) . . . no
CL2 C7 H8 84.5(4) . . . no
CL2 C7 H8 162.0(4) . . . no
CL2 C7 O1 72.65(3) 1_565 1_565 1_565 ?
CL2 C7 N1 58.74(3) 1_565 1_565 1_565 ?
CL2 C7 N2 56.77(3) 1_565 1_565 1_565 ?
CL2 C7 C1 61.73(3) 1_565 1_565 1_565 ?
CL2 C7 C3 58.63(3) 1_565 1_565 1_565 ?
CL2 C7 C4 61.39(3) 1_565 1_565 1_565 ?
CL2 C7 C6 74.45(4) 1_565 1_565 1_565 ?
CL2 C7 C8 175.71(11) 1_565 1_565 1_565 ?
CL2 C7 C8 62.46(8) 1_565 1_565 1_565 ?
CL2 C7 C9 153.19(6) 1_565 1_565 1_565 ?
CL2 C7 C9 93.24(5) 1_565 1_565 1_565 ?
CL2 C7 C10 123.22(3) 1_565 1_565 1_565 ?
CL2 C7 H5 73.8(2) 1_565 1_565 1_565 no
CL2 C7 H5 92.7(2) 1_565 1_565 1_565 no
CL2 C7 H6 94.0(4) 1_565 1_565 1_565 no
CL2 C7 H6 67.1(4) 1_565 1_565 1_565 no
CL2 C7 H7 151.1(5) 1_565 1_565 1_565 no
CL2 C7 H7 37.7(5) 1_565 1_565 1_565 no
CL2 C7 H8 162.0(4) 1_565 1_565 1_565 no
CL2 C7 H8 84.5(4) 1_565 1_565 1_565 no
O1 C7 N1 38.27(4) . . . ?
O1 C7 N2 58.18(9) . . . ?
O1 C7 C1 26.82(5) . . . ?
O1 C7 C3 75.26(6) . . . ?
O1 C7 C4 86.16(7) . . . ?
O1 C7 C6 117.76(8) . . . ?
O1 C7 C8 104.18(11) . . . ?
O1 C7 C8 104.19(11) . . . ?
O1 C7 C9 116.55(8) . . . ?
O1 C7 C9 116.56(8) . . . ?
O1 C7 C10 121.06(9) . . . ?
O1 C7 H5 116.4(4) . . . no
O1 C7 H5 37.8(4) . . . no
O1 C7 H6 127.6(4) . . . no
O1 C7 H6 127.6(4) . . . no
O1 C7 H7 90.9(5) . . . no
O1 C7 H7 91.0(5) . . . no
O1 C7 H8 113.8(3) . . . no
O1 C7 H8 113.8(3) . . . no
N1 C7 N2 19.90(7) . . . ?
N1 C7 C1 11.45(5) . . . ?
N1 C7 C3 36.99(4) . . . ?
N1 C7 C4 47.89(6) . . . ?
N1 C7 C6 79.48(6) . . . ?
N1 C7 C8 116.98(10) . . . ?
N1 C7 C8 117.01(10) . . . ?
N1 C7 C9 144.14(7) . . . ?
N1 C7 C9 144.15(7) . . . ?
N1 C7 C10 159.33(9) . . . ?
N1 C7 H5 78.1(4) . . . no
N1 C7 H5 76.1(4) . . . no
N1 C7 H6 91.1(4) . . . no
N1 C7 H6 91.1(4) . . . no
N1 C7 H7 93.6(5) . . . no
N1 C7 H7 93.6(5) . . . no
N1 C7 H8 136.9(4) . . . no
N1 C7 H8 136.9(4) . . . no
N2 C7 C1 31.35(8) . . . ?
N2 C7 C3 17.09(7) . . . ?
N2 C7 C4 27.98(8) . . . ?
N2 C7 C6 59.58(9) . . . ?
N2 C7 C8 119.19(9) . . . ?
N2 C7 C8 119.23(9) . . . ?
N2 C7 C9 150.00(5) . . . ?
N2 C7 C9 150.01(5) . . . ?
N2 C7 C10 179.2(1) . . . ?
N2 C7 H5 58.2(4) . . . no
N2 C7 H5 96.0(4) . . . no
N2 C7 H6 72.0(4) . . . no
N2 C7 H6 72.0(4) . . . no
N2 C7 H7 94.4(5) . . . no
N2 C7 H7 94.4(5) . . . no
N2 C7 H8 141.2(4) . . . no
N2 C7 H8 141.2(4) . . . no
C1 C7 C3 48.44(6) . . . ?
C1 C7 C4 59.34(7) . . . ?
C1 C7 C6 90.94(8) . . . ?
C1 C7 C8 114.14(11) . . . ?
C1 C7 C8 114.17(11) . . . ?
C1 C7 C9 137.19(8) . . . ?
C1 C7 C9 137.20(8) . . . ?
C1 C7 C10 147.88(10) . . . ?
C1 C7 H5 89.6(4) . . . no
C1 C7 H5 64.6(4) . . . no
C1 C7 H6 102.1(4) . . . no
C1 C7 H6 102.1(4) . . . no
C1 C7 H7 92.9(5) . . . no
C1 C7 H7 92.9(5) . . . no
C1 C7 H8 131.4(4) . . . no
C1 C7 H8 131.4(4) . . . no
C3 C7 C4 10.90(5) . . . ?
C3 C7 C6 42.49(6) . . . ?
C3 C7 C8 118.06(9) . . . ?
C3 C7 C8 118.10(9) . . . ?
C3 C7 C9 146.22(6) . . . ?
C3 C7 C9 146.23(6) . . . ?
C3 C7 C10 163.68(10) . . . ?
C3 C7 H5 41.2(4) . . . no
C3 C7 H5 113.1(4) . . . no
C3 C7 H6 55.7(4) . . . no
C3 C7 H6 55.7(4) . . . no
C3 C7 H7 94.7(5) . . . no
C3 C7 H7 94.7(5) . . . no
C3 C7 H8 138.4(4) . . . no
C3 C7 H8 138.4(4) . . . no
C4 C7 C6 31.60(6) . . . ?
C4 C7 C8 115.94(10) . . . ?
C4 C7 C8 115.98(10) . . . ?
C4 C7 C9 140.36(8) . . . ?
C4 C7 C9 140.37(8) . . . ?
C4 C7 C10 152.78(11) . . . ?
C4 C7 H5 30.3(4) . . . no
C4 C7 H5 124.0(4) . . . no
C4 C7 H6 45.5(4) . . . no
C4 C7 H6 45.5(4) . . . no
C4 C7 H7 94.6(5) . . . no
C4 C7 H7 94.7(5) . . . no
C4 C7 H8 133.9(4) . . . no
C4 C7 H8 133.9(4) . . . no
C6 C7 C8 105.04(11) . . . ?
C6 C7 C8 105.06(11) . . . ?
C6 C7 C9 116.63(9) . . . ?
C6 C7 C9 116.64(9) . . . ?
C6 C7 C10 121.18(10) . . . ?
C6 C7 H5 1.3(4) . . . no
C6 C7 H5 155.6(4) . . . no
C6 C7 H6 19.6(4) . . . no
C6 C7 H6 19.6(4) . . . no
C6 C7 H7 93.6(5) . . . no
C6 C7 H7 93.6(5) . . . no
C6 C7 H8 113.8(4) . . . no
C6 C7 H8 113.8(4) . . . no
C8 C7 C8 121.6(2) . . . ?
C8 C7 C9 30.81(9) . . . ?
C8 C7 C9 90.78(12) . . . ?
C8 C7 C10 60.80(9) . . . ?
C8 C7 H5 105.6(2) . . . no
C8 C7 H5 86.3(2) . . . no
C8 C7 H6 85.7(4) . . . no
C8 C7 H6 113.8(4) . . . no
C8 C7 H7 24.8(5) . . . no
C8 C7 H7 146.3(5) . . . no
C8 C7 H8 22.0(4) . . . no
C8 C7 H8 99.6(4) . . . no
C8 C7 C9 90.75(12) 4 4 4 ?
C8 C7 C9 30.78(9) 4 4 4 ?
C8 C7 C10 60.76(9) 4 4 4 ?
C8 C7 H5 105.6(2) 4 4 4 no
C8 C7 H5 86.2(2) 4 4 4 no
C8 C7 H6 113.8(4) 4 4 4 no
C8 C7 H6 85.7(4) 4 4 4 no
C8 C7 H7 146.3(5) 4 4 4 no
C8 C7 H7 24.8(5) 4 4 4 no
C8 C7 H8 99.5(4) 4 4 4 no
C8 C7 H8 22.0(4) 4 4 4 no
C9 C7 C9 59.97(10) . . . ?
C9 C7 C10 29.99(5) . . . ?
C9 C7 H5 117.7(3) . . . no
C9 C7 H5 84.2(3) . . . no
C9 C7 H6 98.1(4) . . . no
C9 C7 H6 114.5(4) . . . no
C9 C7 H7 55.6(5) . . . no
C9 C7 H7 115.5(5) . . . no
C9 C7 H8 8.8(4) . . . no
C9 C7 H8 68.8(4) . . . no
C9 C7 C10 29.98(5) 4 4 4 ?
C9 C7 H5 117.7(3) 4 4 4 no
C9 C7 H5 84.2(3) 4 4 4 no
C9 C7 H6 114.6(4) 4 4 4 no
C9 C7 H6 98.1(4) 4 4 4 no
C9 C7 H7 115.6(5) 4 4 4 no
C9 C7 H7 55.6(5) 4 4 4 no
C9 C7 H8 68.8(4) 4 4 4 no
C9 C7 H8 8.8(4) 4 4 4 no
C10 C7 H5 122.5(4) . . . no
C10 C7 H5 83.2(4) . . . no
C10 C7 H6 108.8(4) . . . no
C10 C7 H6 108.8(4) . . . no
C10 C7 H7 85.6(5) . . . no
C10 C7 H7 85.5(5) . . . no
C10 C7 H8 38.8(4) . . . no
C10 C7 H8 38.8(4) . . . no
H5 C7 H5 154.2(7) . . . no
H5 C7 H6 20.4(5) . . . no
H5 C7 H6 20.4(5) . . . no
H5 C7 H7 93.7(5) . . . no
H5 C7 H7 93.7(5) . . . no
H5 C7 H8 114.7(4) . . . no
H5 C7 H8 114.7(4) . . . no
H5 C7 H6 159.7(4) 1_455 1_455 1_455 no
H5 C7 H6 159.7(4) 1_455 1_455 1_455 no
H5 C7 H7 87.9(5) 1_455 1_455 1_455 no
H5 C7 H7 87.9(5) 1_455 1_455 1_455 no
H5 C7 H8 84.8(4) 1_455 1_455 1_455 no
H5 C7 H8 84.8(4) 1_455 1_455 1_455 no
H6 C7 H6 31.8(8) . . . no
H6 C7 H7 77.1(6) . . . no
H6 C7 H7 108.8(7) . . . no
H6 C7 H8 94.5(5) . . . no
H6 C7 H8 115.0(5) . . . no
H6 C7 H7 108.8(7) 4 4 4 no
H6 C7 H7 77.1(6) 4 4 4 no
H6 C7 H8 114.9(5) 4 4 4 no
H6 C7 H8 94.5(5) 4 4 4 no
H7 C7 H7 170.6(10) . . . no
H7 C7 H8 46.8(6) . . . no
H7 C7 H8 124.3(7) . . . no
H7 C7 H8 124.3(7) 4 4 4 no
H7 C7 H8 46.8(6) 4 4 4 no
H8 C7 H8 77.5(8) . . . no
CL1 C8 CL2 160.43(5) . . . ?
CL1 C8 O1 119.27(6) . . . ?
CL1 C8 N2 133.36(7) . . . ?
CL1 C8 C1 133.93(6) . . . ?
CL1 C8 C4 135.82(6) . . . ?
CL1 C8 C6 118.92(6) . . . ?
CL1 C8 C7 101.80(10) . . . ?
CL1 C8 C8 72.57(3) . . . ?
CL1 C8 C9 17.26(9) . . . ?
CL1 C8 C9 42.24(4) . . . ?
CL1 C8 C10 12.64(3) . . . ?
CL1 C8 H2 122.8(3) . . . no
CL1 C8 H5 88.1(3) . . . no
CL1 C8 H6 116.7(3) . . . no
CL1 C8 H6 104.6(3) . . . no
CL1 C8 H7 139.4(12) . . . no
CL1 C8 H7 81.7(3) . . . no
CL1 C8 H7 115.8(3) . . . no
CL1 C8 H8 41.6(7) . . . no
CL1 C8 H8 42.6(3) . . . no
CL1 C8 H8 79.3(3) . . . no
CL1 C8 H8 74.3(3) . . . no
CL2 C8 O1 73.02(4) . . . ?
CL2 C8 N2 66.20(4) . . . ?
CL2 C8 C1 62.84(3) . . . ?
CL2 C8 C4 62.02(3) . . . ?
CL2 C8 C6 74.10(4) . . . ?
CL2 C8 C7 97.76(9) . . . ?
CL2 C8 C8 126.98(3) . . . ?
CL2 C8 C9 143.18(12) . . . ?
CL2 C8 C9 157.30(7) . . . ?
CL2 C8 C10 173.04(7) . . . ?
CL2 C8 H2 52.8(3) . . . no
CL2 C8 H5 96.9(3) . . . no
CL2 C8 H6 71.8(4) . . . no
CL2 C8 H6 89.6(3) . . . no
CL2 C8 H7 21.0(12) . . . no
CL2 C8 H7 117.9(3) . . . no
CL2 C8 H7 44.7(3) . . . no
CL2 C8 H8 118.9(7) . . . no
CL2 C8 H8 156.9(3) . . . no
CL2 C8 H8 81.1(3) . . . no
CL2 C8 H8 103.2(3) . . . no
O1 C8 N2 43.81(5) . . . ?
O1 C8 C1 21.40(4) . . . ?
O1 C8 C4 64.56(5) . . . ?
O1 C8 C6 88.89(5) . . . ?
O1 C8 C7 52.19(10) . . . ?
O1 C8 C8 68.86(4) . . . ?
O1 C8 C9 128.8(1) . . . ?
O1 C8 C9 90.33(7) . . . ?
O1 C8 C10 111.17(8) . . . ?
O1 C8 H2 46.6(3) . . . no
O1 C8 H5 36.4(4) . . . no
O1 C8 H6 101.7(4) . . . no
O1 C8 H6 91.0(3) . . . no
O1 C8 H7 86.8(12) . . . no
O1 C8 H7 62.4(3) . . . no
O1 C8 H7 105.0(3) . . . no
O1 C8 H8 136.1(5) . . . no
O1 C8 H8 90.0(3) . . . no
O1 C8 H8 127.9(3) . . . no
O1 C8 H8 148.9(3) . . . no
N2 C8 C1 23.67(4) . . . ?
N2 C8 C4 21.40(4) . . . ?
N2 C8 C6 45.08(5) . . . ?
N2 C8 C7 31.56(7) . . . ?
N2 C8 C8 60.78(5) . . . ?
N2 C8 C9 150.62(13) . . . ?
N2 C8 C9 91.12(7) . . . ?
N2 C8 C10 120.72(8) . . . ?
N2 C8 H2 79.1(3) . . . no
N2 C8 H5 78.5(3) . . . no
N2 C8 H6 58.2(4) . . . no
N2 C8 H6 49.3(3) . . . no
N2 C8 H7 87.2(12) . . . no
N2 C8 H7 51.7(3) . . . no
N2 C8 H7 110.9(3) . . . no
N2 C8 H8 174.9(7) . . . no
N2 C8 H8 90.7(3) . . . no
N2 C8 H8 147.3(3) . . . no
N2 C8 H8 105.8(3) . . . no
C1 C8 C4 43.46(5) . . . ?
C1 C8 C6 68.32(6) . . . ?
C1 C8 C7 43.12(9) . . . ?
C1 C8 C8 68.32(4) . . . ?
C1 C8 C9 147.5(1) . . . ?
C1 C8 C9 96.18(7) . . . ?
C1 C8 C10 123.01(8) . . . ?
C1 C8 H2 57.4(3) . . . no
C1 C8 H5 57.7(4) . . . no
C1 C8 H6 80.5(4) . . . no
C1 C8 H6 72.8(3) . . . no
C1 C8 H7 81.3(12) . . . no
C1 C8 H7 59.8(3) . . . no
C1 C8 H7 103.8(3) . . . no
C1 C8 H8 157.1(5) . . . no
C1 C8 H8 95.8(3) . . . no
C1 C8 H8 136.3(3) . . . no
C1 C8 H8 129.3(3) . . . no
C4 C8 C6 25.28(5) . . . ?
C4 C8 C7 42.22(8) . . . ?
C4 C8 C8 68.86(4) . . . ?
C4 C8 C9 149.61(13) . . . ?
C4 C8 C9 97.17(7) . . . ?
C4 C8 C10 124.59(8) . . . ?
C4 C8 H2 92.4(3) . . . no
C4 C8 H5 99.9(3) . . . no
C4 C8 H6 37.1(4) . . . no
C4 C8 H6 34.4(3) . . . no
C4 C8 H7 82.1(12) . . . no
C4 C8 H7 60.8(3) . . . no
C4 C8 H7 103.6(3) . . . no
C4 C8 H8 159.4(5) . . . no
C4 C8 H8 96.8(3) . . . no
C4 C8 H8 136.5(3) . . . no
C4 C8 H8 86.1(3) . . . no
C6 C8 C7 52.46(10) . . . ?
C6 C8 C8 69.78(4) . . . ?
C6 C8 C9 127.7(1) . . . ?
C6 C8 C9 90.64(7) . . . ?
C6 C8 C10 111.04(8) . . . ?
C6 C8 H2 115.8(3) . . . no
C6 C8 H5 122.2(3) . . . no
C6 C8 H6 14.6(4) . . . no
C6 C8 H6 15.7(3) . . . no
C6 C8 H7 89.8(11) . . . no
C6 C8 H7 64.6(3) . . . no
C6 C8 H7 105.1(3) . . . no
C6 C8 H8 134.5(5) . . . no
C6 C8 H8 90.4(3) . . . no
C6 C8 H8 126.4(3) . . . no
C6 C8 H8 61.0(3) . . . no
C7 C8 C8 29.23(9) . . . ?
C7 C8 C9 119.1(2) . . . ?
C7 C8 C9 59.56(10) . . . ?
C7 C8 C10 89.16(11) . . . ?
C7 C8 H2 98.2(4) . . . no
C7 C8 H5 73.6(3) . . . no
C7 C8 H6 66.8(4) . . . no
C7 C8 H6 45.3(3) . . . no
C7 C8 H7 118.7(12) . . . no
C7 C8 H7 20.2(3) . . . no
C7 C8 H7 142.4(3) . . . no
C7 C8 H8 143.4(7) . . . no
C7 C8 H8 59.2(3) . . . no
C7 C8 H8 178.7(3) . . . no
C7 C8 H8 99.3(4) . . . no
C8 C8 C9 89.83(10) 4 4 4 ?
C8 C8 C9 30.33(5) 4 4 4 ?
C8 C8 C10 59.94(5) 4 4 4 ?
C8 C8 H2 113.6(3) 4 4 4 no
C8 C8 H5 72.42(12) 4 4 4 no
C8 C8 H6 81.3(4) 4 4 4 no
C8 C8 H6 56.4(3) 4 4 4 no
C8 C8 H7 147.9(12) 4 4 4 no
C8 C8 H7 9.1(3) 4 4 4 no
C8 C8 H7 171.6(3) 4 4 4 no
C8 C8 H8 114.2(7) 4 4 4 no
C8 C8 H8 29.9(3) 4 4 4 no
C8 C8 H8 151.9(3) 4 4 4 no
C8 C8 H8 91.9(4) 4 4 4 no
C9 C8 C9 59.50(12) . . . ?
C9 C8 C10 29.90(9) . . . ?
C9 C8 H2 116.5(3) . . . no
C9 C8 H5 93.6(4) . . . no
C9 C8 H6 121.0(4) . . . no
C9 C8 H6 115.7(3) . . . no
C9 C8 H7 122.2(12) . . . no
C9 C8 H7 98.9(3) . . . no
C9 C8 H7 98.5(3) . . . no
C9 C8 H8 24.3(7) . . . no
C9 C8 H8 59.9(3) . . . no
C9 C8 H8 62.0(4) . . . no
C9 C8 H8 72.7(3) . . . no
C9 C8 C10 29.61(5) 4 4 4 ?
C9 C8 H2 124.8(3) 4 4 4 no
C9 C8 H5 76.8(2) 4 4 4 no
C9 C8 H6 97.4(4) 4 4 4 no
C9 C8 H6 75.0(3) 4 4 4 no
C9 C8 H7 177.1(12) 4 4 4 no
C9 C8 H7 39.4(3) 4 4 4 no
C9 C8 H7 158.0(3) 4 4 4 no
C9 C8 H8 83.8(7) 4 4 4 no
C9 C8 H8 0.4(3) 4 4 4 no
C9 C8 H8 121.6(3) 4 4 4 no
C9 C8 H8 83.0(4) 4 4 4 no
C10 C8 H2 125.7(3) . . . no
C10 C8 H5 84.3(3) . . . no
C10 C8 H6 111.9(4) . . . no
C10 C8 H6 95.8(3) . . . no
C10 C8 H7 152.0(12) . . . no
C10 C8 H7 69.0(3) . . . no
C10 C8 H7 128.4(3) . . . no
C10 C8 H8 54.2(7) . . . no
C10 C8 H8 30.0(3) . . . no
C10 C8 H8 91.9(3) . . . no
C10 C8 H8 76.2(3) . . . no
H2 C8 H5 48.0(4) 3_657 3_657 3_657 no
H2 C8 H6 120.4(5) 3_657 3_657 3_657 no
H2 C8 H6 126.7(4) 3_657 3_657 3_657 no
H2 C8 H7 52.6(12) 3_657 3_657 3_657 no
H2 C8 H7 108.4(5) 3_657 3_657 3_657 no
H2 C8 H7 62.0(5) 3_657 3_657 3_657 no
H2 C8 H8 104.0(7) 3_657 3_657 3_657 no
H2 C8 H8 124.7(4) 3_657 3_657 3_657 no
H2 C8 H8 81.7(4) 3_657 3_657 3_657 no
H2 C8 H8 152.1(5) 3_657 3_657 3_657 no
H5 C8 H6 136.3(5) 1_455 1_455 1_455 no
H5 C8 H6 118.7(4) 1_455 1_455 1_455 no
H5 C8 H7 100.6(12) 1_455 1_455 1_455 no
H5 C8 H7 71.4(3) 1_455 1_455 1_455 no
H5 C8 H7 106.2(3) 1_455 1_455 1_455 no
H5 C8 H8 100.4(6) 1_455 1_455 1_455 no
H5 C8 H8 76.7(4) 1_455 1_455 1_455 no
H5 C8 H8 107.2(3) 1_455 1_455 1_455 no
H5 C8 H8 159.5(4) 1_455 1_455 1_455 no
H6 C8 H6 24.9(7) . . . no
H6 C8 H7 83.6(11) . . . no
H6 C8 H7 77.2(5) . . . no
H6 C8 H7 94.9(5) . . . no
H6 C8 H8 122.2(6) . . . no
H6 C8 H8 97.3(5) . . . no
H6 C8 H8 112.2(5) . . . no
H6 C8 H8 49.7(4) . . . no
H6 C8 H7 105.5(12) 4 4 4 no
H6 C8 H7 52.7(4) 4 4 4 no
H6 C8 H7 119.5(5) 4 4 4 no
H6 C8 H8 128.6(6) 4 4 4 no
H6 C8 H8 74.8(4) 4 4 4 no
H6 C8 H8 133.9(4) 4 4 4 no
H6 C8 H8 57.9(5) 4 4 4 no
H7 C8 H7 138.8(15) . . . no
H7 C8 H7 23.7(10) . . . no
H7 C8 H8 97.9(14) . . . no
H7 C8 H8 176.9(12) . . . no
H7 C8 H8 60.2(12) . . . no
H7 C8 H8 99.7(12) . . . no
H7 C8 H7 162.5(6) 4 4 4 no
H7 C8 H8 123.2(8) 4 4 4 no
H7 C8 H8 39.0(4) 4 4 4 no
H7 C8 H8 160.9(4) 4 4 4 no
H7 C8 H8 95.2(5) 4 4 4 no
H7 C8 H8 74.2(8) 4_545 4_545 4_545 no
H7 C8 H8 158.4(4) 4_545 4_545 4_545 no
H7 C8 H8 36.5(4) 4_545 4_545 4_545 no
H7 C8 H8 91.2(5) 4_545 4_545 4_545 no
H8 C8 H8 84.2(10) . . . no
H8 C8 H8 37.7(9) . . . no
H8 C8 H8 73.5(7) . . . no
H8 C8 H8 121.9(5) 4 4 4 no
H8 C8 H8 83.1(4) 4 4 4 no
H8 C8 H8 80.3(4) 4_545 4_545 4_545 no
CL1 C9 CL1 101.21(6) . . . ?
CL1 C9 N2 135.11(7) . . . ?
CL1 C9 C7 123.76(8) . . . ?
CL1 C9 C8 153.89(13) . . . ?
CL1 C9 C8 94.07(7) . . . ?
CL1 C9 C9 63.73(4) . . . ?
CL1 C9 C9 93.64(7) . . . ?
CL1 C9 C10 34.41(8) . . . ?
CL1 C9 H6 129.1(3) . . . no
CL1 C9 H6 53.3(3) . . . no
CL1 C9 H7 176.8(7) . . . no
CL1 C9 H7 94.5(3) . . . no
CL1 C9 H7 144.9(3) . . . no
CL1 C9 H8 87.4(12) . . . no
CL1 C9 H8 55.6(3) . . . no
CL1 C9 H8 108.7(3) . . . no
CL1 C9 H8 60.7(3) . . . no
CL1 C9 H8 94.4(3) . . . no
CL1 C9 N2 103.36(5) 2_546 2_546 2_546 ?
CL1 C9 C7 109.33(8) 2_546 2_546 2_546 ?
CL1 C9 C8 93.00(12) 2_546 2_546 2_546 ?
CL1 C9 C8 120.56(8) 2_546 2_546 2_546 ?
CL1 C9 C9 123.89(3) 2_546 2_546 2_546 ?
CL1 C9 C9 131.09(8) 2_546 2_546 2_546 ?
CL1 C9 C10 117.1(1) 2_546 2_546 2_546 ?
CL1 C9 H6 129.7(3) 2_546 2_546 2_546 no
CL1 C9 H6 91.0(3) 2_546 2_546 2_546 no
CL1 C9 H7 79.2(6) 2_546 2_546 2_546 no
CL1 C9 H7 119.9(3) 2_546 2_546 2_546 no
CL1 C9 H7 61.9(3) 2_546 2_546 2_546 no
CL1 C9 H8 58.9(12) 2_546 2_546 2_546 no
CL1 C9 H8 122.9(4) 2_546 2_546 2_546 no
CL1 C9 H8 55.9(3) 2_546 2_546 2_546 no
CL1 C9 H8 42.6(3) 2_546 2_546 2_546 no
CL1 C9 H8 144.1(4) 2_546 2_546 2_546 no
N2 C9 C7 11.35(3) . . . ?
N2 C9 C8 18.79(8) . . . ?
N2 C9 C8 41.04(4) . . . ?
N2 C9 C9 71.38(4) . . . ?
N2 C9 C9 97.66(7) . . . ?
N2 C9 C10 100.70(11) . . . ?
N2 C9 H6 41.0(3) . . . no
N2 C9 H6 159.4(3) . . . no
N2 C9 H7 42.0(7) . . . no
N2 C9 H7 40.6(3) . . . no
N2 C9 H7 80.0(3) . . . no
N2 C9 H8 137.5(12) . . . no
N2 C9 H8 79.5(3) . . . no
N2 C9 H8 116.2(3) . . . no
N2 C9 H8 122.7(3) . . . no
N2 C9 H8 87.1(3) . . . no
C7 C9 C8 30.14(8) . . . ?
C7 C9 C8 29.69(4) . . . ?
C7 C9 C9 60.03(5) . . . ?
C7 C9 C9 99.75(9) . . . ?
C7 C9 C10 89.35(12) . . . ?
C7 C9 H6 44.2(3) . . . no
C7 C9 H6 159.1(3) . . . no
C7 C9 H7 53.3(7) . . . no
C7 C9 H7 29.3(3) . . . no
C7 C9 H7 91.3(3) . . . no
C7 C9 H8 148.8(12) . . . no
C7 C9 H8 68.2(3) . . . no
C7 C9 H8 127.5(3) . . . no
C7 C9 H8 120.3(3) . . . no
C7 C9 H8 87.5(3) . . . no
C8 C9 C8 59.82(11) . . . ?
C8 C9 C9 90.17(10) . . . ?
C8 C9 C9 93.31(13) . . . ?
C8 C9 C10 119.5(2) . . . ?
C8 C9 H6 40.9(3) . . . no
C8 C9 H6 149.1(3) . . . no
C8 C9 H7 23.2(7) . . . no
C8 C9 H7 59.4(3) . . . no
C8 C9 H7 61.2(3) . . . no
C8 C9 H8 118.7(12) . . . no
C8 C9 H8 98.3(3) . . . no
C8 C9 H8 97.4(4) . . . no
C8 C9 H8 123.9(3) . . . no
C8 C9 H8 86.4(3) . . . no
C8 C9 C9 30.34(5) 4 4 4 ?
C8 C9 C9 104.25(9) 4 4 4 ?
C8 C9 C10 59.66(10) 4 4 4 ?
C8 C9 H6 61.2(3) 4 4 4 no
C8 C9 H6 140.0(3) 4 4 4 no
C8 C9 H7 83.0(7) 4 4 4 no
C8 C9 H7 0.7(3) 4 4 4 no
C8 C9 H7 121.0(3) 4 4 4 no
C8 C9 H8 178.5(12) 4 4 4 no
C8 C9 H8 38.5(3) 4 4 4 no
C8 C9 H8 157.2(3) 4 4 4 no
C8 C9 H8 108.1(4) 4 4 4 no
C8 C9 H8 89.9(4) 4 4 4 no
C9 C9 C9 104.54(6) 4 4 4 ?
C9 C9 C10 29.32(10) 4 4 4 ?
C9 C9 H6 83.4(3) 4 4 4 no
C9 C9 H6 112.7(3) 4 4 4 no
C9 C9 H7 113.3(7) 4 4 4 no
C9 C9 H7 30.8(3) 4 4 4 no
C9 C9 H7 151.4(3) 4 4 4 no
C9 C9 H8 151.2(12) 4 4 4 no
C9 C9 H8 8.2(3) 4 4 4 no
C9 C9 H8 172.5(3) 4 4 4 no
C9 C9 H8 91.9(4) 4 4 4 no
C9 C9 H8 92.0(4) 4 4 4 no
C9 C9 C10 101.2(2) 3_656 3_656 3_656 ?
C9 C9 H6 56.7(3) 3_656 3_656 3_656 no
C9 C9 H6 61.8(3) 3_656 3_656 3_656 no
C9 C9 H7 88.4(5) 3_656 3_656 3_656 no
C9 C9 H7 104.8(3) 3_656 3_656 3_656 no
C9 C9 H7 79.5(3) 3_656 3_656 3_656 no
C9 C9 H8 75.7(12) 3_656 3_656 3_656 no
C9 C9 H8 103.9(4) 3_656 3_656 3_656 no
C9 C9 H8 75.2(3) 3_656 3_656 3_656 no
C9 C9 H8 139.5(3) 3_656 3_656 3_656 no
C9 C9 H8 14.4(4) 3_656 3_656 3_656 no
C10 C9 H6 105.8(3) . . . no
C10 C9 H6 85.2(3) . . . no
C10 C9 H7 142.6(7) . . . no
C10 C9 H7 60.1(3) . . . no
C10 C9 H7 178.9(3) . . . no
C10 C9 H8 121.8(12) . . . no
C10 C9 H8 21.2(3) . . . no
C10 C9 H8 143.1(3) . . . no
C10 C9 H8 75.7(4) . . . no
C10 C9 H8 93.8(4) . . . no
H6 C9 H6 118.4(3) . . . no
H6 C9 H7 50.5(6) . . . no
H6 C9 H7 61.4(4) . . . no
H6 C9 H7 75.2(4) . . . no
H6 C9 H8 117.8(12) . . . no
H6 C9 H8 89.6(5) . . . no
H6 C9 H8 102.3(4) . . . no
H6 C9 H8 163.7(4) . . . no
H6 C9 H8 46.6(4) . . . no
H6 C9 H7 130.0(7) 3_656 3_656 3_656 no
H6 C9 H7 140.7(4) 3_656 3_656 3_656 no
H6 C9 H7 94.4(4) 3_656 3_656 3_656 no
H6 C9 H8 41.3(12) 3_656 3_656 3_656 no
H6 C9 H8 105.1(5) 3_656 3_656 3_656 no
H6 C9 H8 60.3(4) 3_656 3_656 3_656 no
H6 C9 H8 77.8(4) 3_656 3_656 3_656 no
H6 C9 H8 72.8(5) 3_656 3_656 3_656 no
H7 C9 H7 82.5(9) . . . no
H7 C9 H7 38.0(8) . . . no
H7 C9 H8 95.5(14) . . . no
H7 C9 H8 121.5(7) . . . no
H7 C9 H8 74.2(7) . . . no
H7 C9 H8 118.9(6) . . . no
H7 C9 H8 87.0(6) . . . no
H7 C9 H7 120.6(5) 4 4 4 no
H7 C9 H8 177.9(12) 4 4 4 no
H7 C9 H8 38.9(4) 4 4 4 no
H7 C9 H8 156.8(4) 4 4 4 no
H7 C9 H8 107.8(5) 4 4 4 no
H7 C9 H8 90.5(5) 4 4 4 no
H7 C9 H8 57.5(12) 4_545 4_545 4_545 no
H7 C9 H8 159.5(4) 4_545 4_545 4_545 no
H7 C9 H8 36.2(4) 4_545 4_545 4_545 no
H7 C9 H8 103.3(5) 4_545 4_545 4_545 no
H7 C9 H8 87.1(5) 4_545 4_545 4_545 no
H8 C9 H8 143.0(15) . . . no
H8 C9 H8 21.3(10) . . . no
H8 C9 H8 72.6(14) . . . no
H8 C9 H8 90.1(13) . . . no
H8 C9 H8 164.3(6) 4 4 4 no
H8 C9 H8 87.3(5) 4 4 4 no
H8 C9 H8 92.5(5) 4 4 4 no
H8 C9 H8 83.9(5) 4_545 4_545 4_545 no
H8 C9 H8 88.5(5) 4_545 4_545 4_545 no
H8 C9 H8 149.5(5) 3_556 3_556 3_556 no
CL1 C10 C7 179.8(1) . . . ?
CL1 C10 C8 149.96(5) . . . ?
CL1 C10 C8 149.95(5) . . . ?
CL1 C10 C9 119.34(10) . . . ?
CL1 C10 C9 119.31(10) . . . ?
CL1 C10 H6 49.5(3) . . . no
CL1 C10 H6 49.5(3) . . . no
CL1 C10 H7 142.0(4) . . . no
CL1 C10 H7 142.0(4) . . . no
CL1 C10 H8 95.9(5) . . . no
CL1 C10 H8 95.8(5) . . . no
CL1 C10 H8 66.5(3) . . . no
CL1 C10 H8 66.5(3) . . . no
C7 C10 C8 30.04(5) . . . ?
C7 C10 C8 30.05(5) . . . ?
C7 C10 C9 60.66(10) . . . ?
C7 C10 C9 60.69(10) . . . ?
C7 C10 H6 130.4(3) . . . no
C7 C10 H6 130.4(3) . . . no
C7 C10 H7 38.0(4) . . . no
C7 C10 H7 38.0(4) . . . no
C7 C10 H8 84.1(5) . . . no
C7 C10 H8 84.2(5) . . . no
C7 C10 H8 113.7(3) . . . no
C7 C10 H8 113.7(3) . . . no
C8 C10 C8 60.09(9) . . . ?
C8 C10 C9 30.62(9) . . . ?
C8 C10 C9 90.73(12) . . . ?
C8 C10 H6 154.9(3) . . . no
C8 C10 H6 102.7(3) . . . no
C8 C10 H7 8.0(4) . . . no
C8 C10 H7 68.0(4) . . . no
C8 C10 H8 54.1(5) . . . no
C8 C10 H8 114.2(5) . . . no
C8 C10 H8 121.3(3) . . . no
C8 C10 H8 99.7(3) . . . no
C8 C10 C9 90.71(12) 4 4 4 ?
C8 C10 C9 30.64(9) 4 4 4 ?
C8 C10 H6 102.7(3) 4 4 4 no
C8 C10 H6 154.9(3) 4 4 4 no
C8 C10 H7 68.0(4) 4 4 4 no
C8 C10 H7 8.0(4) 4 4 4 no
C8 C10 H8 114.2(5) 4 4 4 no
C8 C10 H8 54.1(5) 4 4 4 no
C8 C10 H8 99.7(3) 4 4 4 no
C8 C10 H8 121.3(3) 4 4 4 no
C9 C10 C9 121.4(2) . . . ?
C9 C10 H6 156.2(3) . . . no
C9 C10 H6 73.8(3) . . . no
C9 C10 H7 22.7(4) . . . no
C9 C10 H7 98.7(4) . . . no
C9 C10 H8 23.5(5) . . . no
C9 C10 H8 144.8(6) . . . no
C9 C10 H8 120.1(4) . . . no
C9 C10 H8 83.8(4) . . . no
C9 C10 H6 73.7(3) 4 4 4 no
C9 C10 H6 156.2(3) 4 4 4 no
C9 C10 H7 98.7(4) 4 4 4 no
C9 C10 H7 22.7(4) 4 4 4 no
C9 C10 H8 144.8(6) 4 4 4 no
C9 C10 H8 23.5(5) 4 4 4 no
C9 C10 H8 83.8(4) 4 4 4 no
C9 C10 H8 120.1(4) 4 4 4 no
H6 C10 H6 86.5(6) 2_656 2_656 2_656 no
H6 C10 H7 159.7(4) 2_656 2_656 2_656 no
H6 C10 H7 95.4(5) 2_656 2_656 2_656 no
H6 C10 H8 138.4(6) 2_656 2_656 2_656 no
H6 C10 H8 52.0(6) 2_656 2_656 2_656 no
H6 C10 H8 77.3(4) 2_656 2_656 2_656 no
H6 C10 H8 105.0(4) 2_656 2_656 2_656 no
H6 C10 H7 95.4(5) 3_656 3_656 3_656 no
H6 C10 H7 159.7(4) 3_656 3_656 3_656 no
H6 C10 H8 52.0(6) 3_656 3_656 3_656 no
H6 C10 H8 138.3(6) 3_656 3_656 3_656 no
H6 C10 H8 105.1(4) 3_656 3_656 3_656 no
H6 C10 H8 77.4(4) 3_656 3_656 3_656 no
H7 C10 H7 76.0(8) . . . no
H7 C10 H8 46.1(7) . . . no
H7 C10 H8 122.2(7) . . . no
H7 C10 H8 121.2(4) . . . no
H7 C10 H8 95.0(5) . . . no
H7 C10 H8 122.1(7) 4 4 4 no
H7 C10 H8 46.2(7) 4 4 4 no
H7 C10 H8 95.0(5) 4 4 4 no
H7 C10 H8 121.2(4) 4 4 4 no
H8 C10 H8 168.3(11) . . . no
H8 C10 H8 112.9(6) . . . no
H8 C10 H8 72.2(7) . . . no
H8 C10 H8 72.2(7) 4 4 4 no
H8 C10 H8 112.9(6) 4 4 4 no
H8 C10 H8 40.9(8) 2_556 2_556 2_556 no
CL2 H1 O1 110.0(10) 2_657 2_657 2_657 no
CL2 H1 O1 83.5(5) 2_657 2_657 2_657 no
CL2 H1 O1 83.5(5) 2_657 2_657 2_657 no
CL2 H1 N1 177.0(20) 2_657 2_657 2_657 no
CL2 H1 N1 81.8(5) 2_657 2_657 2_657 no
CL2 H1 N1 81.8(5) 2_657 2_657 2_657 no
CL2 H1 N2 156.0(10) 2_657 2_657 2_657 no
CL2 H1 C1 139.1(12) 2_657 2_657 2_657 no
CL2 H1 C1 72.5(4) 2_657 2_657 2_657 no
CL2 H1 C1 72.5(4) 2_657 2_657 2_657 no
CL2 H1 C2 144.9(12) 2_657 2_657 2_657 no
CL2 H1 C2 72.8(5) 2_657 2_657 2_657 no
CL2 H1 C2 72.8(5) 2_657 2_657 2_657 no
CL2 H1 C3 160.0(10) 2_657 2_657 2_657 no
CL2 H1 C4 177.8(10) 2_657 2_657 2_657 no
CL2 H1 C5 108.2(9) 2_657 2_657 2_657 no
CL2 H1 H1 97.0(9) 2_657 2_657 2_657 no
CL2 H1 H1 97.0(9) 2_657 2_657 2_657 no
CL2 H1 H2 91.9(10) 2_657 2_657 2_657 no
CL2 H1 H2 91.9(10) 2_657 2_657 2_657 no
CL2 H1 H3 112.4(9) 2_657 2_657 2_657 no
CL2 H1 H4 151.4(9) 2_657 2_657 2_657 no
CL2 H1 H4 61.0(7) 2_657 2_657 2_657 no
CL2 H1 H7 38.8(5) 2_657 2_657 2_657 no
CL2 H1 H7 38.8(5) 2_657 2_657 2_657 no
O1 H1 O1 117.1(3) . . . no
O1 H1 O1 117.1(3) . . . no
O1 H1 N1 67.1(13) . . . no
O1 H1 N1 83.4(4) . . . no
O1 H1 N1 83.3(4) . . . no
O1 H1 N2 46.0(4) . . . no
O1 H1 C1 29.2(3) . . . no
O1 H1 C1 105.8(4) . . . no
O1 H1 C1 105.8(4) . . . no
O1 H1 C2 105.1(11) . . . no
O1 H1 C2 71.5(4) . . . no
O1 H1 C2 71.5(4) . . . no
O1 H1 C3 90.0(8) . . . no
O1 H1 C4 67.8(6) . . . no
O1 H1 C5 141.9(12) . . . no
O1 H1 H1 77.4(7) . . . no
O1 H1 H1 77.3(7) . . . no
O1 H1 H2 153.5(11) . . . no
O1 H1 H2 153.5(11) . . . no
O1 H1 H3 137.6(11) . . . no
O1 H1 H4 98.6(9) . . . no
O1 H1 H4 49.0(5) . . . no
O1 H1 H7 139.9(9) . . . no
O1 H1 H7 139.9(9) . . . no
O1 H1 O1 125.5(6) 2_647 2_647 2_647 no
O1 H1 N1 97.8(8) 2_647 2_647 2_647 no
O1 H1 N1 36.44(7) 2_647 2_647 2_647 no
O1 H1 N1 158.1(7) 2_647 2_647 2_647 no
O1 H1 N2 106.5(5) 2_647 2_647 2_647 no
O1 H1 C1 112.1(5) 2_647 2_647 2_647 no
O1 H1 C1 18.83(6) 2_647 2_647 2_647 no
O1 H1 C1 135.9(7) 2_647 2_647 2_647 no
O1 H1 C2 80.6(4) 2_647 2_647 2_647 no
O1 H1 C2 54.05(9) 2_647 2_647 2_647 no
O1 H1 C2 156.3(8) 2_647 2_647 2_647 no
O1 H1 C3 87.4(4) 2_647 2_647 2_647 no
O1 H1 C4 97.5(5) 2_647 2_647 2_647 no
O1 H1 C5 67.2(3) 2_647 2_647 2_647 no
O1 H1 H1 39.8(4) 2_647 2_647 2_647 no
O1 H1 H1 164.5(10) 2_647 2_647 2_647 no
O1 H1 H2 48.8(6) 2_647 2_647 2_647 no
O1 H1 H2 79.0(7) 2_647 2_647 2_647 no
O1 H1 H3 68.5(4) 2_647 2_647 2_647 no
O1 H1 H4 83.5(4) 2_647 2_647 2_647 no
O1 H1 H4 109.5(4) 2_647 2_647 2_647 no
O1 H1 H7 88.4(6) 2_647 2_647 2_647 no
O1 H1 H7 51.7(4) 2_647 2_647 2_647 no
O1 H1 N1 97.8(8) 2_657 2_657 2_657 no
O1 H1 N1 158.1(7) 2_657 2_657 2_657 no
O1 H1 N1 36.45(7) 2_657 2_657 2_657 no
O1 H1 N2 106.5(5) 2_657 2_657 2_657 no
O1 H1 C1 112.1(5) 2_657 2_657 2_657 no
O1 H1 C1 135.9(7) 2_657 2_657 2_657 no
O1 H1 C1 18.84(6) 2_657 2_657 2_657 no
O1 H1 C2 80.7(4) 2_657 2_657 2_657 no
O1 H1 C2 156.3(8) 2_657 2_657 2_657 no
O1 H1 C2 54.06(9) 2_657 2_657 2_657 no
O1 H1 C3 87.4(4) 2_657 2_657 2_657 no
O1 H1 C4 97.5(5) 2_657 2_657 2_657 no
O1 H1 C5 67.3(3) 2_657 2_657 2_657 no
O1 H1 H1 164.5(10) 2_657 2_657 2_657 no
O1 H1 H1 39.8(4) 2_657 2_657 2_657 no
O1 H1 H2 79.0(7) 2_657 2_657 2_657 no
O1 H1 H2 48.9(6) 2_657 2_657 2_657 no
O1 H1 H3 68.5(4) 2_657 2_657 2_657 no
O1 H1 H4 83.5(4) 2_657 2_657 2_657 no
O1 H1 H4 109.5(4) 2_657 2_657 2_657 no
O1 H1 H7 51.7(4) 2_657 2_657 2_657 no
O1 H1 H7 88.5(6) 2_657 2_657 2_657 no
N1 H1 N1 97.7(5) . . . no
N1 H1 N1 97.7(5) . . . no
N1 H1 N2 21.1(10) . . . no
N1 H1 C1 37.9(10) . . . no
N1 H1 C1 108.0(5) . . . no
N1 H1 C1 108.0(5) . . . no
N1 H1 C2 38.0(11) . . . no
N1 H1 C2 105.8(8) . . . no
N1 H1 C2 105.8(8) . . . no
N1 H1 C3 22.9(11) . . . no
N1 H1 C4 0.8(11) . . . no
N1 H1 C5 74.8(15) . . . no
N1 H1 H1 82.5(9) . . . no
N1 H1 H1 82.4(9) . . . no
N1 H1 H2 91.0(16) . . . no
N1 H1 H2 91.0(16) . . . no
N1 H1 H3 70.5(14) . . . no
N1 H1 H4 31.5(12) . . . no
N1 H1 H4 116.1(16) . . . no
N1 H1 H7 143.7(15) . . . no
N1 H1 H7 143.7(15) . . . no
N1 H1 N1 153.9(8) 2_647 2_647 2_647 no
N1 H1 N2 93.4(4) 2_647 2_647 2_647 no
N1 H1 C1 89.6(4) 2_647 2_647 2_647 no
N1 H1 C1 22.52(7) 2_647 2_647 2_647 no
N1 H1 C1 154.3(9) 2_647 2_647 2_647 no
N1 H1 C2 102.5(5) 2_647 2_647 2_647 no
N1 H1 C2 19.38(10) 2_647 2_647 2_647 no
N1 H1 C2 134.7(7) 2_647 2_647 2_647 no
N1 H1 C3 101.2(5) 2_647 2_647 2_647 no
N1 H1 C4 97.8(5) 2_647 2_647 2_647 no
N1 H1 C5 102.1(4) 2_647 2_647 2_647 no
N1 H1 H1 15.2(4) 2_647 2_647 2_647 no
N1 H1 H1 159.0(11) 2_647 2_647 2_647 no
N1 H1 H2 85.2(6) 2_647 2_647 2_647 no
N1 H1 H2 115.4(7) 2_647 2_647 2_647 no
N1 H1 H3 102.5(4) 2_647 2_647 2_647 no
N1 H1 H4 102.1(5) 2_647 2_647 2_647 no
N1 H1 H4 77.2(4) 2_647 2_647 2_647 no
N1 H1 H7 107.8(7) 2_647 2_647 2_647 no
N1 H1 H7 69.9(5) 2_647 2_647 2_647 no
N1 H1 N2 93.4(4) 2_657 2_657 2_657 no
N1 H1 C1 89.6(4) 2_657 2_657 2_657 no
N1 H1 C1 154.3(9) 2_657 2_657 2_657 no
N1 H1 C1 22.52(7) 2_657 2_657 2_657 no
N1 H1 C2 102.6(5) 2_657 2_657 2_657 no
N1 H1 C2 134.7(7) 2_657 2_657 2_657 no
N1 H1 C2 19.37(10) 2_657 2_657 2_657 no
N1 H1 C3 101.2(5) 2_657 2_657 2_657 no
N1 H1 C4 97.8(5) 2_657 2_657 2_657 no
N1 H1 C5 102.2(4) 2_657 2_657 2_657 no
N1 H1 H1 159.0(11) 2_657 2_657 2_657 no
N1 H1 H1 15.2(4) 2_657 2_657 2_657 no
N1 H1 H2 115.5(7) 2_657 2_657 2_657 no
N1 H1 H2 85.3(6) 2_657 2_657 2_657 no
N1 H1 H3 102.5(4) 2_657 2_657 2_657 no
N1 H1 H4 102.1(5) 2_657 2_657 2_657 no
N1 H1 H4 77.1(4) 2_657 2_657 2_657 no
N1 H1 H7 69.9(5) 2_657 2_657 2_657 no
N1 H1 H7 107.9(7) 2_657 2_657 2_657 no
N2 H1 C1 16.8(4) . . . no
N2 H1 C1 110.4(4) . . . no
N2 H1 C1 110.4(4) . . . no
N2 H1 C2 59.1(7) . . . no
N2 H1 C2 95.1(4) . . . no
N2 H1 C2 95.1(4) . . . no
N2 H1 C3 44.0(4) . . . no
N2 H1 C4 21.8(2) . . . no
N2 H1 C5 95.9(8) . . . no
N2 H1 H1 79.2(9) . . . no
N2 H1 H1 79.2(8) . . . no
N2 H1 H2 111.3(10) . . . no
N2 H1 H2 111.3(10) . . . no
N2 H1 H3 91.6(8) . . . no
N2 H1 H4 52.6(5) . . . no
N2 H1 H4 95.0(6) . . . no
N2 H1 H7 158.1(5) . . . no
N2 H1 H7 158.1(5) . . . no
C1 H1 C1 110.2(4) . . . no
C1 H1 C1 110.2(4) . . . no
C1 H1 C2 75.9(10) . . . no
C1 H1 C2 86.1(5) . . . no
C1 H1 C2 86.1(5) . . . no
C1 H1 C3 60.8(7) . . . no
C1 H1 C4 38.7(5) . . . no
C1 H1 C5 112.7(12) . . . no
C1 H1 H1 77.6(8) . . . no
C1 H1 H1 77.5(8) . . . no
C1 H1 H2 127.3(13) . . . no
C1 H1 H2 127.3(13) . . . no
C1 H1 H3 108.4(11) . . . no
C1 H1 H4 69.4(8) . . . no
C1 H1 H4 78.2(7) . . . no
C1 H1 H7 159.5(5) . . . no
C1 H1 H7 159.5(5) . . . no
C1 H1 C1 139.0(8) 2_647 2_647 2_647 no
C1 H1 C2 98.2(4) 2_647 2_647 2_647 no
C1 H1 C2 36.85(11) 2_647 2_647 2_647 no
C1 H1 C2 141.5(8) 2_647 2_647 2_647 no
C1 H1 C3 102.8(4) 2_647 2_647 2_647 no
C1 H1 C4 107.9(4) 2_647 2_647 2_647 no
C1 H1 C5 85.5(4) 2_647 2_647 2_647 no
C1 H1 H1 32.6(4) 2_647 2_647 2_647 no
C1 H1 H1 169.5(13) 2_647 2_647 2_647 no
C1 H1 H2 65.8(6) 2_647 2_647 2_647 no
C1 H1 H2 94.7(7) 2_647 2_647 2_647 no
C1 H1 H3 87.0(4) 2_647 2_647 2_647 no
C1 H1 H4 100.3(4) 2_647 2_647 2_647 no
C1 H1 H4 90.7(5) 2_647 2_647 2_647 no
C1 H1 H7 89.0(6) 2_647 2_647 2_647 no
C1 H1 H7 50.0(4) 2_647 2_647 2_647 no
C1 H1 C2 98.2(4) 2_657 2_657 2_657 no
C1 H1 C2 141.5(8) 2_657 2_657 2_657 no
C1 H1 C2 36.84(11) 2_657 2_657 2_657 no
C1 H1 C3 102.8(4) 2_657 2_657 2_657 no
C1 H1 C4 107.9(4) 2_657 2_657 2_657 no
C1 H1 C5 85.6(4) 2_657 2_657 2_657 no
C1 H1 H1 169.5(13) 2_657 2_657 2_657 no
C1 H1 H1 32.6(4) 2_657 2_657 2_657 no
C1 H1 H2 94.7(7) 2_657 2_657 2_657 no
C1 H1 H2 65.8(6) 2_657 2_657 2_657 no
C1 H1 H3 87.1(4) 2_657 2_657 2_657 no
C1 H1 H4 100.3(4) 2_657 2_657 2_657 no
C1 H1 H4 90.6(5) 2_657 2_657 2_657 no
C1 H1 H7 50.1(4) 2_657 2_657 2_657 no
C1 H1 H7 89.0(6) 2_657 2_657 2_657 no
C2 H1 C2 119.9(4) . . . no
C2 H1 C2 119.9(4) . . . no
C2 H1 C3 15.1(3) . . . no
C2 H1 C4 37.2(5) . . . no
C2 H1 C5 36.8(4) . . . no
C2 H1 H1 90.5(9) . . . no
C2 H1 H1 90.5(9) . . . no
C2 H1 H2 54.5(7) . . . no
C2 H1 H2 54.5(7) . . . no
C2 H1 H3 32.5(5) . . . no
C2 H1 H4 6.5(4) . . . no
C2 H1 H4 154.1(11) . . . no
C2 H1 H7 109.5(8) . . . no
C2 H1 H7 109.5(8) . . . no
C2 H1 C2 115.4(6) 2_647 2_647 2_647 no
C2 H1 C3 115.5(4) 2_647 2_647 2_647 no
C2 H1 C4 106.2(4) 2_647 2_647 2_647 no
C2 H1 C5 121.0(3) 2_647 2_647 2_647 no
C2 H1 H1 29.4(5) 2_647 2_647 2_647 no
C2 H1 H1 140.8(10) 2_647 2_647 2_647 no
C2 H1 H2 102.5(6) 2_647 2_647 2_647 no
C2 H1 H2 131.4(7) 2_647 2_647 2_647 no
C2 H1 H3 121.6(3) 2_647 2_647 2_647 no
C2 H1 H4 118.2(4) 2_647 2_647 2_647 no
C2 H1 H4 57.8(3) 2_647 2_647 2_647 no
C2 H1 H7 106.7(7) 2_647 2_647 2_647 no
C2 H1 H7 73.9(5) 2_647 2_647 2_647 no
C2 H1 C3 115.5(4) 2_657 2_657 2_657 no
C2 H1 C4 106.2(4) 2_657 2_657 2_657 no
C2 H1 C5 121.0(3) 2_657 2_657 2_657 no
C2 H1 H1 140.8(10) 2_657 2_657 2_657 no
C2 H1 H1 29.4(5) 2_657 2_657 2_657 no
C2 H1 H2 131.4(7) 2_657 2_657 2_657 no
C2 H1 H2 102.5(6) 2_657 2_657 2_657 no
C2 H1 H3 121.7(3) 2_657 2_657 2_657 no
C2 H1 H4 118.2(4) 2_657 2_657 2_657 no
C2 H1 H4 57.8(3) 2_657 2_657 2_657 no
C2 H1 H7 74.0(5) 2_657 2_657 2_657 no
C2 H1 H7 106.7(7) 2_657 2_657 2_657 no
C3 H1 C4 22.2(2) . . . no
C3 H1 C5 51.9(5) . . . no
C3 H1 H1 87.1(9) . . . no
C3 H1 H1 87.1(9) . . . no
C3 H1 H2 68.9(8) . . . no
C3 H1 H2 68.9(8) . . . no
C3 H1 H3 47.6(5) . . . no
C3 H1 H4 8.6(3) . . . no
C3 H1 H4 139.0(8) . . . no
C3 H1 H7 123.5(7) . . . no
C3 H1 H7 123.5(7) . . . no
C4 H1 C5 74.0(7) . . . no
C4 H1 H1 82.6(9) . . . no
C4 H1 H1 82.6(9) . . . no
C4 H1 H2 90.2(9) . . . no
C4 H1 H2 90.2(9) . . . no
C4 H1 H3 69.7(6) . . . no
C4 H1 H4 30.7(4) . . . no
C4 H1 H4 116.8(7) . . . no
C4 H1 H7 143.1(6) . . . no
C4 H1 H7 143.0(6) . . . no
C5 H1 H1 98.1(8) . . . no
C5 H1 H1 98.1(8) . . . no
C5 H1 H2 22.1(5) . . . no
C5 H1 H2 22.1(5) . . . no
C5 H1 H3 4.3(4) . . . no
C5 H1 H4 43.3(5) . . . no
C5 H1 H4 169.1(11) . . . no
C5 H1 H7 74.9(6) . . . no
C5 H1 H7 74.9(6) . . . no
H1 H1 H1 154.1(15) 2_647 2_647 2_647 no
H1 H1 H2 85.5(8) 2_647 2_647 2_647 no
H1 H1 H2 115.7(10) 2_647 2_647 2_647 no
H1 H1 H3 97.3(8) 2_647 2_647 2_647 no
H1 H1 H4 89.0(9) 2_647 2_647 2_647 no
H1 H1 H4 83.9(8) 2_647 2_647 2_647 no
H1 H1 H7 121.3(10) 2_647 2_647 2_647 no
H1 H1 H7 82.5(8) 2_647 2_647 2_647 no
H1 H1 H2 115.8(10) 2_657 2_657 2_657 no
H1 H1 H2 85.5(8) 2_657 2_657 2_657 no
H1 H1 H3 97.4(8) 2_657 2_657 2_657 no
H1 H1 H4 89.0(9) 2_657 2_657 2_657 no
H1 H1 H4 83.9(8) 2_657 2_657 2_657 no
H1 H1 H7 82.5(8) 2_657 2_657 2_657 no
H1 H1 H7 121.3(10) 2_657 2_657 2_657 no
H2 H1 H2 30.5(11) . . . no
H2 H1 H3 25.4(6) . . . no
H2 H1 H4 60.7(8) . . . no
H2 H1 H4 149.2(11) . . . no
H2 H1 H7 66.5(7) . . . no
H2 H1 H7 55.0(7) . . . no
H2 H1 H3 25.4(6) 4 4 4 no
H2 H1 H4 60.7(8) 4 4 4 no
H2 H1 H4 149.2(11) 4 4 4 no
H2 H1 H7 55.0(7) 4 4 4 no
H2 H1 H7 66.5(7) 4 4 4 no
H3 H1 H4 39.0(5) . . . no
H3 H1 H4 173.4(10) . . . no
H3 H1 H7 78.9(6) . . . no
H3 H1 H7 78.9(6) . . . no
H4 H1 H4 147.6(9) . . . no
H4 H1 H7 115.6(6) . . . no
H4 H1 H7 115.5(6) . . . no
H4 H1 H7 94.9(7) 1_455 1_455 1_455 no
H4 H1 H7 94.9(7) 1_455 1_455 1_455 no
H7 H1 H7 39.0(7) 2_657 2_657 2_657 no
CL1 H2 CL2 111.4(5) 1_656 1_656 1_656 no
CL1 H2 O1 109.4(6) 1_656 1_656 1_656 no
CL1 H2 N1 154.6(9) 1_656 1_656 1_656 no
CL1 H2 C1 159.6(7) 1_656 1_656 1_656 no
CL1 H2 C1 118.7(6) 1_656 1_656 1_656 no
CL1 H2 C2 139.5(9) 1_656 1_656 1_656 no
CL1 H2 C3 130.9(7) 1_656 1_656 1_656 no
CL1 H2 C3 97.6(5) 1_656 1_656 1_656 no
CL1 H2 C5 97.3(13) 1_656 1_656 1_656 no
CL1 H2 C6 66.0(4) 1_656 1_656 1_656 no
CL1 H2 C8 71.5(4) 1_656 1_656 1_656 no
CL1 H2 H1 144.4(9) 1_656 1_656 1_656 no
CL1 H2 H2 79.0(4) 1_656 1_656 1_656 no
CL1 H2 H3 77.0(10) 1_656 1_656 1_656 no
CL1 H2 H4 117.1(6) 1_656 1_656 1_656 no
CL1 H2 H4 107.8(6) 1_656 1_656 1_656 no
CL1 H2 H5 72.9(6) 1_656 1_656 1_656 no
CL1 H2 H6 51.2(4) 1_656 1_656 1_656 no
CL1 H2 H7 68.8(4) 1_656 1_656 1_656 no
CL1 H2 H7 74.9(5) 1_656 1_656 1_656 no
CL2 H2 O1 84.1(5) 2_657 2_657 2_657 no
CL2 H2 N1 60.5(4) 2_657 2_657 2_657 no
CL2 H2 C1 63.1(3) 2_657 2_657 2_657 no
CL2 H2 C1 64.5(4) 2_657 2_657 2_657 no
CL2 H2 C2 90.1(6) 2_657 2_657 2_657 no
CL2 H2 C3 106.1(5) 2_657 2_657 2_657 no
CL2 H2 C3 141.1(6) 2_657 2_657 2_657 no
CL2 H2 C5 112.1(15) 2_657 2_657 2_657 no
CL2 H2 C6 134.7(7) 2_657 2_657 2_657 no
CL2 H2 C8 60.5(3) 2_657 2_657 2_657 no
CL2 H2 H1 40.1(7) 2_657 2_657 2_657 no
CL2 H2 H2 78.7(4) 2_657 2_657 2_657 no
CL2 H2 H3 141.3(13) 2_657 2_657 2_657 no
CL2 H2 H4 120.8(6) 2_657 2_657 2_657 no
CL2 H2 H4 128.9(7) 2_657 2_657 2_657 no
CL2 H2 H5 123.0(8) 2_657 2_657 2_657 no
CL2 H2 H6 137.7(7) 2_657 2_657 2_657 no
CL2 H2 H7 44.4(4) 2_657 2_657 2_657 no
CL2 H2 H7 48.7(4) 2_657 2_657 2_657 no
O1 H2 N1 94.1(6) 2_647 2_647 2_647 no
O1 H2 C1 89.9(5) 2_647 2_647 2_647 no
O1 H2 C1 20.0(2) 2_647 2_647 2_647 no
O1 H2 C2 106.6(8) 2_647 2_647 2_647 no
O1 H2 C3 104.8(6) 2_647 2_647 2_647 no
O1 H2 C3 61.6(4) 2_647 2_647 2_647 no
O1 H2 C5 141.4(15) 2_647 2_647 2_647 no
O1 H2 C6 58.1(4) 2_647 2_647 2_647 no
O1 H2 C8 57.9(4) 2_647 2_647 2_647 no
O1 H2 H1 90.9(7) 2_647 2_647 2_647 no
O1 H2 H2 162.7(4) 2_647 2_647 2_647 no
O1 H2 H3 130.4(12) 2_647 2_647 2_647 no
O1 H2 H4 108.5(6) 2_647 2_647 2_647 no
O1 H2 H4 52.2(5) 2_647 2_647 2_647 no
O1 H2 H5 45.9(5) 2_647 2_647 2_647 no
O1 H2 H6 71.1(6) 2_647 2_647 2_647 no
O1 H2 H7 109.6(7) 2_647 2_647 2_647 no
O1 H2 H7 66.9(6) 2_647 2_647 2_647 no
N1 H2 C1 5.3(2) . . . no
N1 H2 C1 81.0(5) . . . no
N1 H2 C2 30.7(3) . . . no
N1 H2 C3 46.0(3) . . . no
N1 H2 C3 102.0(5) . . . no
N1 H2 C5 67.7(11) . . . no
N1 H2 C6 138.0(7) . . . no
N1 H2 C8 116.2(6) . . . no
N1 H2 H1 20.3(7) . . . no
N1 H2 H2 75.8(5) . . . no
N1 H2 H3 95.2(13) . . . no
N1 H2 H4 61.0(5) . . . no
N1 H2 H4 94.0(6) . . . no
N1 H2 H5 132.3(9) . . . no
N1 H2 H6 151.5(8) . . . no
N1 H2 H7 94.9(6) . . . no
N1 H2 H7 107.3(7) . . . no
C1 H2 C1 77.8(4) . . . no
C1 H2 C2 30.0(3) . . . no
C1 H2 C3 44.3(2) . . . no
C1 H2 C3 97.2(4) . . . no
C1 H2 C5 69.3(11) . . . no
C1 H2 C6 132.7(6) . . . no
C1 H2 C8 116.4(5) . . . no
C1 H2 H1 23.4(7) . . . no
C1 H2 H2 80.7(3) . . . no
C1 H2 H3 95.5(12) . . . no
C1 H2 H4 59.4(4) . . . no
C1 H2 H4 88.9(5) . . . no
C1 H2 H5 127.1(7) . . . no
C1 H2 H6 146.4(7) . . . no
C1 H2 H7 99.4(5) . . . no
C1 H2 H7 108.6(6) . . . no
C1 H2 C2 101.4(7) 2_647 2_647 2_647 no
C1 H2 C3 105.4(5) 2_647 2_647 2_647 no
C1 H2 C3 79.2(5) 2_647 2_647 2_647 no
C1 H2 C5 143.0(14) 2_647 2_647 2_647 no
C1 H2 C6 77.5(5) 2_647 2_647 2_647 no
C1 H2 C8 53.1(3) 2_647 2_647 2_647 no
C1 H2 H1 73.4(6) 2_647 2_647 2_647 no
C1 H2 H2 142.7(4) 2_647 2_647 2_647 no
C1 H2 H3 146.3(12) 2_647 2_647 2_647 no
C1 H2 H4 114.0(6) 2_647 2_647 2_647 no
C1 H2 H4 68.4(5) 2_647 2_647 2_647 no
C1 H2 H5 64.9(6) 2_647 2_647 2_647 no
C1 H2 H6 89.5(6) 2_647 2_647 2_647 no
C1 H2 H7 95.7(6) 2_647 2_647 2_647 no
C1 H2 H7 57.7(5) 2_647 2_647 2_647 no
C2 H2 C3 16.3(2) . . . no
C2 H2 C3 83.6(6) . . . no
C2 H2 C5 42.2(8) . . . no
C2 H2 C6 122.0(8) . . . no
C2 H2 C8 146.4(8) . . . no
C2 H2 H1 50.4(8) . . . no
C2 H2 H2 71.8(6) . . . no
C2 H2 H3 65.7(12) . . . no
C2 H2 H4 30.8(4) . . . no
C2 H2 H4 80.5(6) . . . no
C2 H2 H5 124.3(10) . . . no
C2 H2 H6 129.2(9) . . . no
C2 H2 H7 115.2(8) . . . no
C2 H2 H7 137.9(8) . . . no
C3 H2 C3 69.3(4) . . . no
C3 H2 C5 38.1(9) . . . no
C3 H2 C6 106.9(5) . . . no
C3 H2 C8 157.3(6) . . . no
C3 H2 H1 66.2(8) . . . no
C3 H2 H2 78.5(4) . . . no
C3 H2 H3 54.0(10) . . . no
C3 H2 H4 15.2(3) . . . no
C3 H2 H4 68.3(4) . . . no
C3 H2 H5 111.1(8) . . . no
C3 H2 H6 113.0(7) . . . no
C3 H2 H7 129.3(7) . . . no
C3 H2 H7 152.8(7) . . . no
C3 H2 C5 88.3(12) 2_747 2_747 2_747 no
C3 H2 C6 38.7(2) 2_747 2_747 2_747 no
C3 H2 C8 108.5(6) 2_747 2_747 2_747 no
C3 H2 H1 117.9(8) 2_747 2_747 2_747 no
C3 H2 H2 133.8(3) 2_747 2_747 2_747 no
C3 H2 H3 68.8(8) 2_747 2_747 2_747 no
C3 H2 H4 61.2(4) 2_747 2_747 2_747 no
C3 H2 H4 12.3(3) 2_747 2_747 2_747 no
C3 H2 H5 41.9(5) 2_747 2_747 2_747 no
C3 H2 H6 49.6(4) 2_747 2_747 2_747 no
C3 H2 H7 161.2(6) 2_747 2_747 2_747 no
C3 H2 H7 121.6(8) 2_747 2_747 2_747 no
C5 H2 C6 113.1(14) . . . no
C5 H2 C8 160.6(16) . . . no
C5 H2 H1 82.3(14) . . . no
C5 H2 H2 47.5(13) . . . no
C5 H2 H3 30.6(10) . . . no
C5 H2 H4 33.0(9) . . . no
C5 H2 H4 93.8(13) . . . no
C5 H2 H5 124.0(15) . . . no
C5 H2 H6 108.6(13) . . . no
C5 H2 H7 105.8(15) . . . no
C5 H2 H7 149.6(17) . . . no
C6 H2 C8 77.5(4) 2_747 2_747 2_747 no
C6 H2 H1 146.5(8) 2_747 2_747 2_747 no
C6 H2 H2 137.9(3) 2_747 2_747 2_747 no
C6 H2 H3 83.8(9) 2_747 2_747 2_747 no
C6 H2 H4 96.0(5) 2_747 2_747 2_747 no
C6 H2 H4 44.5(4) 2_747 2_747 2_747 no
C6 H2 H5 12.7(4) 2_747 2_747 2_747 no
C6 H2 H6 15.1(3) 2_747 2_747 2_747 no
C6 H2 H7 122.6(6) 2_747 2_747 2_747 no
C6 H2 H7 90.9(7) 2_747 2_747 2_747 no
C8 H2 H1 97.6(9) 3_657 3_657 3_657 no
C8 H2 H2 113.6(3) 3_657 3_657 3_657 no
C8 H2 H3 147.8(12) 3_657 3_657 3_657 no
C8 H2 H4 166.4(7) 3_657 3_657 3_657 no
C8 H2 H4 104.6(6) 3_657 3_657 3_657 no
C8 H2 H5 68.9(6) 3_657 3_657 3_657 no
C8 H2 H6 77.2(5) 3_657 3_657 3_657 no
C8 H2 H7 55.7(5) 3_657 3_657 3_657 no
C8 H2 H7 13.5(4) 3_657 3_657 3_657 no
H1 H2 H2 74.7(6) . . . no
H1 H2 H3 112.2(15) . . . no
H1 H2 H4 81.1(9) . . . no
H1 H2 H4 107.7(8) . . . no
H1 H2 H5 135.9(9) . . . no
H1 H2 H6 161.3(9) . . . no
H1 H2 H7 77.1(8) . . . no
H1 H2 H7 87.6(9) . . . no
H2 H2 H3 65.5(9) 4 4 4 no
H2 H2 H4 79.2(4) 4 4 4 no
H2 H2 H4 141.2(4) 4 4 4 no
H2 H2 H5 149.3(5) 4 4 4 no
H2 H2 H6 123.9(5) 4 4 4 no
H2 H2 H7 58.4(5) 4 4 4 no
H2 H2 H7 102.2(6) 4 4 4 no
H3 H2 H4 40.4(10) . . . no
H3 H2 H4 78.6(9) . . . no
H3 H2 H5 95.8(11) . . . no
H3 H2 H6 78.0(10) . . . no
H3 H2 H7 118.0(12) . . . no
H3 H2 H7 151.1(13) . . . no
H4 H2 H4 63.4(4) . . . no
H4 H2 H5 102.6(8) . . . no
H4 H2 H6 99.8(7) . . . no
H4 H2 H7 136.0(7) . . . no
H4 H2 H7 167.8(7) . . . no
H4 H2 H5 43.8(6) 2_747 2_747 2_747 no
H4 H2 H6 57.6(6) 2_747 2_747 2_747 no
H4 H2 H7 160.3(8) 2_747 2_747 2_747 no
H4 H2 H7 116.5(9) 2_747 2_747 2_747 no
H5 H2 H6 25.5(5) 2_747 2_747 2_747 no
H5 H2 H7 119.6(8) 2_747 2_747 2_747 no
H5 H2 H7 82.4(8) 2_747 2_747 2_747 no
H6 H2 H7 112.8(6) 3_757 3_757 3_757 no
H6 H2 H7 89.5(7) 3_757 3_757 3_757 no
H7 H2 H7 43.9(8) 2_657 2_657 2_657 no
CL1 H3 CL2 88.7(6) 1_656 1_656 1_656 no
CL1 H3 O1 86.2(4) 1_656 1_656 1_656 no
CL1 H3 O1 86.2(4) 1_656 1_656 1_656 no
CL1 H3 N1 126.6(8) 1_656 1_656 1_656 no
CL1 H3 C2 142.4(11) 1_656 1_656 1_656 no
CL1 H3 C3 173.3(10) 1_656 1_656 1_656 no
CL1 H3 C3 102.7(4) 1_656 1_656 1_656 no
CL1 H3 C3 102.8(4) 1_656 1_656 1_656 no
CL1 H3 C4 169.3(8) 1_656 1_656 1_656 no
CL1 H3 C4 82.3(4) 1_656 1_656 1_656 no
CL1 H3 C4 82.3(4) 1_656 1_656 1_656 no
CL1 H3 C5 98.5(16) 1_656 1_656 1_656 no
CL1 H3 C6 64.1(3) 1_656 1_656 1_656 no
CL1 H3 C6 64.1(3) 1_656 1_656 1_656 no
CL1 H3 H1 110.8(8) 1_656 1_656 1_656 no
CL1 H3 H2 76.4(11) 1_656 1_656 1_656 no
CL1 H3 H2 76.4(11) 1_656 1_656 1_656 no
CL1 H3 H4 166.5(11) 1_656 1_656 1_656 no
CL1 H3 H4 106.7(5) 1_656 1_656 1_656 no
CL1 H3 H4 106.8(5) 1_656 1_656 1_656 no
CL1 H3 H5 66.9(4) 1_656 1_656 1_656 no
CL1 H3 H5 66.9(4) 1_656 1_656 1_656 no
CL1 H3 H6 51.0(4) 1_656 1_656 1_656 no
CL1 H3 H6 51.0(4) 1_656 1_656 1_656 no
CL2 H3 O1 123.1(3) 2_757 2_757 2_757 no
CL2 H3 O1 123.1(3) 2_757 2_757 2_757 no
CL2 H3 N1 144.7(8) 2_757 2_757 2_757 no
CL2 H3 C2 128.9(10) 2_757 2_757 2_757 no
CL2 H3 C3 98.0(7) 2_757 2_757 2_757 no
CL2 H3 C3 70.9(4) 2_757 2_757 2_757 no
CL2 H3 C3 70.9(4) 2_757 2_757 2_757 no
CL2 H3 C4 102.0(6) 2_757 2_757 2_757 no
CL2 H3 C4 63.9(4) 2_757 2_757 2_757 no
CL2 H3 C4 63.9(4) 2_757 2_757 2_757 no
CL2 H3 C5 172.8(19) 2_757 2_757 2_757 no
CL2 H3 C6 78.6(4) 2_757 2_757 2_757 no
CL2 H3 C6 78.6(4) 2_757 2_757 2_757 no
CL2 H3 H1 160.5(9) 2_757 2_757 2_757 no
CL2 H3 H2 150.9(11) 2_757 2_757 2_757 no
CL2 H3 H2 150.9(11) 2_757 2_757 2_757 no
CL2 H3 H4 77.8(8) 2_757 2_757 2_757 no
CL2 H3 H4 84.9(5) 2_757 2_757 2_757 no
CL2 H3 H4 85.0(5) 2_757 2_757 2_757 no
CL2 H3 H5 91.9(6) 2_757 2_757 2_757 no
CL2 H3 H5 92.0(6) 2_757 2_757 2_757 no
CL2 H3 H6 74.5(5) 2_757 2_757 2_757 no
CL2 H3 H6 74.5(5) 2_757 2_757 2_757 no
O1 H3 O1 113.0(6) 2_647 2_647 2_647 no
O1 H3 N1 66.4(4) 2_647 2_647 2_647 no
O1 H3 C2 73.7(5) 2_647 2_647 2_647 no
O1 H3 C3 90.2(5) 2_647 2_647 2_647 no
O1 H3 C3 55.36(8) 2_647 2_647 2_647 no
O1 H3 C3 164.0(7) 2_647 2_647 2_647 no
O1 H3 C4 87.9(4) 2_647 2_647 2_647 no
O1 H3 C4 59.26(6) 2_647 2_647 2_647 no
O1 H3 C4 166.5(6) 2_647 2_647 2_647 no
O1 H3 C5 57.9(4) 2_647 2_647 2_647 no
O1 H3 C6 48.71(10) 2_647 2_647 2_647 no
O1 H3 C6 143.8(6) 2_647 2_647 2_647 no
O1 H3 H1 60.8(4) 2_647 2_647 2_647 no
O1 H3 H2 32.6(8) 2_647 2_647 2_647 no
O1 H3 H2 81.3(11) 2_647 2_647 2_647 no
O1 H3 H4 101.1(5) 2_647 2_647 2_647 no
O1 H3 H4 43.6(3) 2_647 2_647 2_647 no
O1 H3 H4 150.0(8) 2_647 2_647 2_647 no
O1 H3 H5 35.3(4) 2_647 2_647 2_647 no
O1 H3 H5 135.8(7) 2_647 2_647 2_647 no
O1 H3 H6 135.2(6) 2_647 2_647 2_647 no
O1 H3 H6 58.9(3) 2_647 2_647 2_647 no
O1 H3 N1 66.4(4) 2_657 2_657 2_657 no
O1 H3 C2 73.6(5) 2_657 2_657 2_657 no
O1 H3 C3 90.1(5) 2_657 2_657 2_657 no
O1 H3 C3 164.0(7) 2_657 2_657 2_657 no
O1 H3 C3 55.36(8) 2_657 2_657 2_657 no
O1 H3 C4 87.9(4) 2_657 2_657 2_657 no
O1 H3 C4 166.5(6) 2_657 2_657 2_657 no
O1 H3 C4 59.26(6) 2_657 2_657 2_657 no
O1 H3 C5 57.9(4) 2_657 2_657 2_657 no
O1 H3 C6 143.9(6) 2_657 2_657 2_657 no
O1 H3 C6 48.71(10) 2_657 2_657 2_657 no
O1 H3 H1 60.8(4) 2_657 2_657 2_657 no
O1 H3 H2 81.3(11) 2_657 2_657 2_657 no
O1 H3 H2 32.6(8) 2_657 2_657 2_657 no
O1 H3 H4 101.1(5) 2_657 2_657 2_657 no
O1 H3 H4 150.0(8) 2_657 2_657 2_657 no
O1 H3 H4 43.6(3) 2_657 2_657 2_657 no
O1 H3 H5 135.8(7) 2_657 2_657 2_657 no
O1 H3 H5 35.3(4) 2_657 2_657 2_657 no
O1 H3 H6 58.9(3) 2_657 2_657 2_657 no
O1 H3 H6 135.2(6) 2_657 2_657 2_657 no
N1 H3 C2 15.8(3) . . . no
N1 H3 C3 46.7(4) . . . no
N1 H3 C3 97.8(4) . . . no
N1 H3 C3 97.7(4) . . . no
N1 H3 C4 42.7(3) . . . no
N1 H3 C4 115.6(3) . . . no
N1 H3 C4 115.5(3) . . . no
N1 H3 C5 28.1(11) . . . no
N1 H3 C6 114.3(4) . . . no
N1 H3 C6 114.3(4) . . . no
N1 H3 H1 15.8(5) . . . no
N1 H3 H2 55.6(10) . . . no
N1 H3 H2 55.6(10) . . . no
N1 H3 H4 66.9(7) . . . no
N1 H3 H4 84.5(5) . . . no
N1 H3 H4 84.5(5) . . . no
N1 H3 H5 101.5(6) . . . no
N1 H3 H5 101.5(6) . . . no
N1 H3 H6 125.3(5) . . . no
N1 H3 H6 125.4(5) . . . no
C2 H3 C3 31.0(3) . . . no
C2 H3 C3 91.6(4) . . . no
C2 H3 C3 91.6(4) . . . no
C2 H3 C4 27.0(4) . . . no
C2 H3 C4 112.0(4) . . . no
C2 H3 C4 111.9(4) . . . no
C2 H3 C5 43.8(11) . . . no
C2 H3 C6 117.5(4) . . . no
C2 H3 C6 117.4(4) . . . no
C2 H3 H1 31.5(6) . . . no
C2 H3 H2 69.5(12) . . . no
C2 H3 H2 69.5(12) . . . no
C2 H3 H4 51.1(7) . . . no
C2 H3 H4 80.2(5) . . . no
C2 H3 H4 80.2(5) . . . no
C2 H3 H5 106.6(6) . . . no
C2 H3 H5 106.5(6) . . . no
C2 H3 H6 130.8(5) . . . no
C2 H3 H6 130.8(5) . . . no
C3 H3 C3 79.6(4) . . . no
C3 H3 C3 79.6(4) . . . no
C3 H3 C4 4.0(2) . . . no
C3 H3 C4 100.6(4) . . . no
C3 H3 C4 100.6(4) . . . no
C3 H3 C5 74.8(14) . . . no
C3 H3 C6 117.1(3) . . . no
C3 H3 C6 117.1(3) . . . no
C3 H3 H1 62.5(7) . . . no
C3 H3 H2 97.6(12) . . . no
C3 H3 H2 97.6(12) . . . no
C3 H3 H4 20.1(5) . . . no
C3 H3 H4 74.0(5) . . . no
C3 H3 H4 74.0(5) . . . no
C3 H3 H5 112.7(5) . . . no
C3 H3 H5 112.6(5) . . . no
C3 H3 H6 130.9(4) . . . no
C3 H3 H6 130.9(4) . . . no
C3 H3 C3 133.0(7) 2_747 2_747 2_747 no
C3 H3 C4 81.1(4) 2_747 2_747 2_747 no
C3 H3 C4 21.40(7) 2_747 2_747 2_747 no
C3 H3 C4 134.4(7) 2_747 2_747 2_747 no
C3 H3 C5 107.2(6) 2_747 2_747 2_747 no
C3 H3 C6 39.41(9) 2_747 2_747 2_747 no
C3 H3 C6 147.2(7) 2_747 2_747 2_747 no
C3 H3 H1 103.4(4) 2_747 2_747 2_747 no
C3 H3 H2 87.9(8) 2_747 2_747 2_747 no
C3 H3 H2 136.4(12) 2_747 2_747 2_747 no
C3 H3 H4 73.0(4) 2_747 2_747 2_747 no
C3 H3 H4 14.3(3) 2_747 2_747 2_747 no
C3 H3 H4 141.2(7) 2_747 2_747 2_747 no
C3 H3 H5 42.1(4) 2_747 2_747 2_747 no
C3 H3 H5 160.6(9) 2_747 2_747 2_747 no
C3 H3 H6 136.7(7) 2_747 2_747 2_747 no
C3 H3 H6 51.7(3) 2_747 2_747 2_747 no
C3 H3 C4 81.0(4) 2_757 2_757 2_757 no
C3 H3 C4 134.4(7) 2_757 2_757 2_757 no
C3 H3 C4 21.40(7) 2_757 2_757 2_757 no
C3 H3 C5 107.2(6) 2_757 2_757 2_757 no
C3 H3 C6 147.2(7) 2_757 2_757 2_757 no
C3 H3 C6 39.42(9) 2_757 2_757 2_757 no
C3 H3 H1 103.4(4) 2_757 2_757 2_757 no
C3 H3 H2 136.4(12) 2_757 2_757 2_757 no
C3 H3 H2 87.9(8) 2_757 2_757 2_757 no
C3 H3 H4 73.0(4) 2_757 2_757 2_757 no
C3 H3 H4 141.2(7) 2_757 2_757 2_757 no
C3 H3 H4 14.3(3) 2_757 2_757 2_757 no
C3 H3 H5 160.6(9) 2_757 2_757 2_757 no
C3 H3 H5 42.1(4) 2_757 2_757 2_757 no
C3 H3 H6 51.8(3) 2_757 2_757 2_757 no
C3 H3 H6 136.8(7) 2_757 2_757 2_757 no
C4 H3 C4 102.3(4) . . . no
C4 H3 C4 102.3(4) . . . no
C4 H3 C5 70.8(14) . . . no
C4 H3 C6 117.7(3) . . . no
C4 H3 C6 117.6(3) . . . no
C4 H3 H1 58.5(6) . . . no
C4 H3 H2 93.9(12) . . . no
C4 H3 H2 93.9(12) . . . no
C4 H3 H4 24.2(5) . . . no
C4 H3 H4 74.6(5) . . . no
C4 H3 H4 74.6(5) . . . no
C4 H3 H5 112.2(5) . . . no
C4 H3 H5 112.2(5) . . . no
C4 H3 H6 131.7(4) . . . no
C4 H3 H6 131.7(4) . . . no
C4 H3 C4 125.5(7) 2_747 2_747 2_747 no
C4 H3 C5 116.9(4) 2_747 2_747 2_747 no
C4 H3 C6 22.62(8) 2_747 2_747 2_747 no
C4 H3 C6 129.9(7) 2_747 2_747 2_747 no
C4 H3 H1 117.2(3) 2_747 2_747 2_747 no
C4 H3 H2 89.1(9) 2_747 2_747 2_747 no
C4 H3 H2 136.2(12) 2_747 2_747 2_747 no
C4 H3 H4 91.7(5) 2_747 2_747 2_747 no
C4 H3 H4 31.8(3) 2_747 2_747 2_747 no
C4 H3 H4 147.6(8) 2_747 2_747 2_747 no
C4 H3 H5 31.7(4) 2_747 2_747 2_747 no
C4 H3 H5 141.5(8) 2_747 2_747 2_747 no
C4 H3 H6 117.2(7) 2_747 2_747 2_747 no
C4 H3 H6 31.9(3) 2_747 2_747 2_747 no
C4 H3 C5 116.9(4) 2_757 2_757 2_757 no
C4 H3 C6 129.9(7) 2_757 2_757 2_757 no
C4 H3 C6 22.63(8) 2_757 2_757 2_757 no
C4 H3 H1 117.1(3) 2_757 2_757 2_757 no
C4 H3 H2 136.2(12) 2_757 2_757 2_757 no
C4 H3 H2 89.1(9) 2_757 2_757 2_757 no
C4 H3 H4 91.6(5) 2_757 2_757 2_757 no
C4 H3 H4 147.6(8) 2_757 2_757 2_757 no
C4 H3 H4 31.8(3) 2_757 2_757 2_757 no
C4 H3 H5 141.5(8) 2_757 2_757 2_757 no
C4 H3 H5 31.7(4) 2_757 2_757 2_757 no
C4 H3 H6 31.9(3) 2_757 2_757 2_757 no
C4 H3 H6 117.3(7) 2_757 2_757 2_757 no
C5 H3 C6 104.5(7) . . . no
C5 H3 C6 104.5(7) . . . no
C5 H3 H1 12.3(12) . . . no
C5 H3 H2 33.5(11) . . . no
C5 H3 H2 33.4(11) . . . no
C5 H3 H4 94.9(17) . . . no
C5 H3 H4 92.9(7) . . . no
C5 H3 H4 92.9(7) . . . no
C5 H3 H5 90.9(8) . . . no
C5 H3 H5 90.9(8) . . . no
C5 H3 H6 110.1(11) . . . no
C5 H3 H6 110.1(11) . . . no
C6 H3 C6 123.2(6) 2_747 2_747 2_747 no
C6 H3 H1 109.4(4) 2_747 2_747 2_747 no
C6 H3 H2 72.4(9) 2_747 2_747 2_747 no
C6 H3 H2 115.3(12) 2_747 2_747 2_747 no
C6 H3 H4 112.4(4) 2_747 2_747 2_747 no
C6 H3 H4 43.1(3) 2_747 2_747 2_747 no
C6 H3 H4 161.1(8) 2_747 2_747 2_747 no
C6 H3 H5 13.7(4) 2_747 2_747 2_747 no
C6 H3 H5 130.1(7) 2_747 2_747 2_747 no
C6 H3 H6 108.9(6) 2_747 2_747 2_747 no
C6 H3 H6 14.3(3) 2_747 2_747 2_747 no
C6 H3 H1 109.3(4) 2_757 2_757 2_757 no
C6 H3 H2 115.3(12) 2_757 2_757 2_757 no
C6 H3 H2 72.4(9) 2_757 2_757 2_757 no
C6 H3 H4 112.4(4) 2_757 2_757 2_757 no
C6 H3 H4 161.1(8) 2_757 2_757 2_757 no
C6 H3 H4 43.1(3) 2_757 2_757 2_757 no
C6 H3 H5 130.1(7) 2_757 2_757 2_757 no
C6 H3 H5 13.7(4) 2_757 2_757 2_757 no
C6 H3 H6 14.3(3) 2_757 2_757 2_757 no
C6 H3 H6 108.9(6) 2_757 2_757 2_757 no
H1 H3 H2 42.5(11) . . . no
H1 H3 H2 42.5(11) . . . no
H1 H3 H4 82.6(9) . . . no
H1 H3 H4 89.2(6) . . . no
H1 H3 H4 89.2(6) . . . no
H1 H3 H5 95.7(6) . . . no
H1 H3 H5 95.7(6) . . . no
H1 H3 H6 117.4(6) . . . no
H1 H3 H6 117.5(6) . . . no
H2 H3 H2 49.0(19) . . . no
H2 H3 H4 115.7(14) . . . no
H2 H3 H4 75.9(9) . . . no
H2 H3 H4 123.1(13) . . . no
H2 H3 H5 59.3(10) . . . no
H2 H3 H5 104.5(12) . . . no
H2 H3 H6 112.3(12) . . . no
H2 H3 H6 76.7(10) . . . no
H2 H3 H4 115.7(14) 4 4 4 no
H2 H3 H4 123.1(13) 4 4 4 no
H2 H3 H4 75.9(9) 4 4 4 no
H2 H3 H5 104.5(12) 4 4 4 no
H2 H3 H5 59.3(10) 4 4 4 no
H2 H3 H6 76.7(10) 4 4 4 no
H2 H3 H6 112.3(12) 4 4 4 no
H4 H3 H4 72.4(4) . . . no
H4 H3 H4 72.4(4) . . . no
H4 H3 H5 113.1(4) . . . no
H4 H3 H5 113.0(4) . . . no
H4 H3 H6 123.5(6) . . . no
H4 H3 H6 123.6(6) . . . no
H4 H3 H4 144.7(8) 2_747 2_747 2_747 no
H4 H3 H5 40.7(4) 2_747 2_747 2_747 no
H4 H3 H5 173.0(9) 2_747 2_747 2_747 no
H4 H3 H6 149.0(8) 2_747 2_747 2_747 no
H4 H3 H6 57.1(4) 2_747 2_747 2_747 no
H4 H3 H5 173.0(9) 2_757 2_757 2_757 no
H4 H3 H5 40.7(4) 2_757 2_757 2_757 no
H4 H3 H6 57.1(4) 2_757 2_757 2_757 no
H4 H3 H6 149.0(8) 2_757 2_757 2_757 no
H5 H3 H5 133.5(9) 2_747 2_747 2_747 no
H5 H3 H6 116.0(7) 2_747 2_747 2_747 no
H5 H3 H6 24.3(4) 2_747 2_747 2_747 no
H5 H3 H6 24.3(4) 2_757 2_757 2_757 no
H5 H3 H6 116.0(7) 2_757 2_757 2_757 no
H6 H3 H6 94.6(8) 2_757 2_757 2_757 no
CL2 H4 O1 75.2(5) 2_757 2_757 2_757 no
CL2 H4 N1 122.2(6) 2_757 2_757 2_757 no
CL2 H4 N2 165.4(7) 2_757 2_757 2_757 no
CL2 H4 C1 143.5(6) 2_757 2_757 2_757 no
CL2 H4 C1 64.1(4) 2_757 2_757 2_757 no
CL2 H4 C2 107.1(7) 2_757 2_757 2_757 no
CL2 H4 C2 67.0(3) 2_757 2_757 2_757 no
CL2 H4 C2 67.1(3) 2_757 2_757 2_757 no
CL2 H4 C3 144.9(14) 2_757 2_757 2_757 no
CL2 H4 C3 64.6(3) 2_757 2_757 2_757 no
CL2 H4 C3 64.6(3) 2_757 2_757 2_757 no
CL2 H4 C4 179.3(9) 2_757 2_757 2_757 no
CL2 H4 C5 74.0(4) 2_757 2_757 2_757 no
CL2 H4 C5 87.9(4) 2_757 2_757 2_757 no
CL2 H4 C5 87.9(4) 2_757 2_757 2_757 no
CL2 H4 C6 146.5(7) 2_757 2_757 2_757 no
CL2 H4 H1 113.5(6) 2_757 2_757 2_757 no
CL2 H4 H1 34.1(4) 2_757 2_757 2_757 no
CL2 H4 H2 76.8(5) 2_757 2_757 2_757 no
CL2 H4 H2 76.8(5) 2_757 2_757 2_757 no
CL2 H4 H2 88.5(5) 2_757 2_757 2_757 no
CL2 H4 H2 88.4(5) 2_757 2_757 2_757 no
CL2 H4 H3 55.1(7) 2_757 2_757 2_757 no
CL2 H4 H3 98.8(5) 2_757 2_757 2_757 no
CL2 H4 H3 98.8(5) 2_757 2_757 2_757 no
CL2 H4 H4 76.0(6) 2_757 2_757 2_757 no
CL2 H4 H4 76.1(6) 2_757 2_757 2_757 no
CL2 H4 H5 127.1(9) 2_757 2_757 2_757 no
CL2 H4 H6 146.1(7) 2_757 2_757 2_757 no
CL2 H4 H6 146.1(7) 2_757 2_757 2_757 no
O1 H4 N1 162.6(7) 1_655 1_655 1_655 no
O1 H4 N2 119.4(6) 1_655 1_655 1_655 no
O1 H4 C1 141.3(6) 1_655 1_655 1_655 no
O1 H4 C1 11.1(1) 1_655 1_655 1_655 no
O1 H4 C2 177.7(9) 1_655 1_655 1_655 no
O1 H4 C2 72.4(3) 1_655 1_655 1_655 no
O1 H4 C2 72.4(3) 1_655 1_655 1_655 no
O1 H4 C3 140.0(15) 1_655 1_655 1_655 no
O1 H4 C3 92.3(4) 1_655 1_655 1_655 no
O1 H4 C3 92.3(4) 1_655 1_655 1_655 no
O1 H4 C4 104.1(7) 1_655 1_655 1_655 no
O1 H4 C5 149.2(8) 1_655 1_655 1_655 no
O1 H4 C5 66.4(3) 1_655 1_655 1_655 no
O1 H4 C5 66.4(3) 1_655 1_655 1_655 no
O1 H4 C6 71.3(4) 1_655 1_655 1_655 no
O1 H4 H1 171.3(7) 1_655 1_655 1_655 no
O1 H4 H1 41.1(5) 1_655 1_655 1_655 no
O1 H4 H2 150.0(7) 1_655 1_655 1_655 no
O1 H4 H2 150.0(7) 1_655 1_655 1_655 no
O1 H4 H2 52.2(4) 1_655 1_655 1_655 no
O1 H4 H2 52.2(4) 1_655 1_655 1_655 no
O1 H4 H3 130.3(10) 1_655 1_655 1_655 no
O1 H4 H3 77.6(5) 1_655 1_655 1_655 no
O1 H4 H3 77.6(5) 1_655 1_655 1_655 no
O1 H4 H4 103.4(6) 1_655 1_655 1_655 no
O1 H4 H4 103.4(6) 1_655 1_655 1_655 no
O1 H4 H5 51.9(7) 1_655 1_655 1_655 no
O1 H4 H6 73.5(5) 1_655 1_655 1_655 no
O1 H4 H6 73.5(5) 1_655 1_655 1_655 no
N1 H4 N2 43.2(3) . . . no
N1 H4 C1 21.4(1) . . . no
N1 H4 C1 173.8(6) . . . no
N1 H4 C2 15.1(3) . . . no
N1 H4 C2 112.6(3) . . . no
N1 H4 C2 112.6(3) . . . no
N1 H4 C3 22.7(9) . . . no
N1 H4 C3 95.6(3) . . . no
N1 H4 C3 95.6(3) . . . no
N1 H4 C4 58.6(5) . . . no
N1 H4 C5 48.1(3) . . . no
N1 H4 C5 111.2(3) . . . no
N1 H4 C5 111.2(3) . . . no
N1 H4 C6 91.3(6) . . . no
N1 H4 H1 8.7(3) . . . no
N1 H4 H1 156.3(7) . . . no
N1 H4 H2 46.5(4) . . . no
N1 H4 H2 46.5(4) . . . no
N1 H4 H2 123.0(5) . . . no
N1 H4 H2 123.0(5) . . . no
N1 H4 H3 67.1(8) . . . no
N1 H4 H3 98.1(5) . . . no
N1 H4 H3 98.1(5) . . . no
N1 H4 H4 82.6(6) . . . no
N1 H4 H4 82.6(6) . . . no
N1 H4 H5 110.8(9) . . . no
N1 H4 H6 89.6(6) . . . no
N1 H4 H6 89.6(6) . . . no
N2 H4 C1 21.8(1) . . . no
N2 H4 C1 130.6(5) . . . no
N2 H4 C2 58.3(5) . . . no
N2 H4 C2 115.5(3) . . . no
N2 H4 C2 115.5(3) . . . no
N2 H4 C3 20.5(9) . . . no
N2 H4 C3 112.1(3) . . . no
N2 H4 C3 112.1(3) . . . no
N2 H4 C4 15.4(3) . . . no
N2 H4 C5 91.3(6) . . . no
N2 H4 C5 98.0(3) . . . no
N2 H4 C5 97.9(3) . . . no
N2 H4 C6 48.1(3) . . . no
N2 H4 H1 51.9(4) . . . no
N2 H4 H1 160.5(7) . . . no
N2 H4 H2 88.8(6) . . . no
N2 H4 H2 88.8(6) . . . no
N2 H4 H2 100.6(5) . . . no
N2 H4 H2 100.7(5) . . . no
N2 H4 H3 110.3(9) . . . no
N2 H4 H3 85.3(5) . . . no
N2 H4 H3 85.3(5) . . . no
N2 H4 H4 99.0(7) . . . no
N2 H4 H4 99.0(7) . . . no
N2 H4 H5 67.6(8) . . . no
N2 H4 H6 47.7(4) . . . no
N2 H4 H6 47.7(4) . . . no
C1 H4 C1 152.4(5) . . . no
C1 H4 C2 36.4(4) . . . no
C1 H4 C2 116.0(3) . . . no
C1 H4 C2 116.0(3) . . . no
C1 H4 C3 1.3(9) . . . no
C1 H4 C3 104.7(3) . . . no
C1 H4 C3 104.6(3) . . . no
C1 H4 C4 37.2(4) . . . no
C1 H4 C5 69.5(4) . . . no
C1 H4 C5 105.7(3) . . . no
C1 H4 C5 105.7(3) . . . no
C1 H4 C6 70.0(4) . . . no
C1 H4 H1 30.0(4) . . . no
C1 H4 H1 177.6(7) . . . no
C1 H4 H2 67.4(5) . . . no
C1 H4 H2 67.3(5) . . . no
C1 H4 H2 113.2(5) . . . no
C1 H4 H2 113.2(5) . . . no
C1 H4 H3 88.4(8) . . . no
C1 H4 H3 91.9(6) . . . no
C1 H4 H3 91.9(6) . . . no
C1 H4 H4 90.8(7) . . . no
C1 H4 H4 90.7(7) . . . no
C1 H4 H5 89.4(8) . . . no
C1 H4 H6 68.8(5) . . . no
C1 H4 H6 68.8(5) . . . no
C1 H4 C2 171.2(8) 1_655 1_655 1_655 no
C1 H4 C2 69.0(3) 1_655 1_655 1_655 no
C1 H4 C2 69.0(3) 1_655 1_655 1_655 no
C1 H4 C3 151.1(14) 1_655 1_655 1_655 no
C1 H4 C3 87.2(3) 1_655 1_655 1_655 no
C1 H4 C3 87.2(3) 1_655 1_655 1_655 no
C1 H4 C4 115.2(7) 1_655 1_655 1_655 no
C1 H4 C5 138.1(7) 1_655 1_655 1_655 no
C1 H4 C5 67.7(3) 1_655 1_655 1_655 no
C1 H4 C5 67.7(3) 1_655 1_655 1_655 no
C1 H4 C6 82.4(5) 1_655 1_655 1_655 no
C1 H4 H1 177.6(7) 1_655 1_655 1_655 no
C1 H4 H1 30.0(4) 1_655 1_655 1_655 no
C1 H4 H2 139.5(6) 1_655 1_655 1_655 no
C1 H4 H2 139.5(6) 1_655 1_655 1_655 no
C1 H4 H2 54.9(4) 1_655 1_655 1_655 no
C1 H4 H2 54.9(4) 1_655 1_655 1_655 no
C1 H4 H3 119.2(9) 1_655 1_655 1_655 no
C1 H4 H3 80.3(5) 1_655 1_655 1_655 no
C1 H4 H3 80.3(5) 1_655 1_655 1_655 no
C1 H4 H4 99.7(6) 1_655 1_655 1_655 no
C1 H4 H4 99.7(6) 1_655 1_655 1_655 no
C1 H4 H5 63.0(7) 1_655 1_655 1_655 no
C1 H4 H6 84.3(5) 1_655 1_655 1_655 no
C1 H4 H6 84.3(5) 1_655 1_655 1_655 no
C2 H4 C2 108.3(3) . . . no
C2 H4 C2 108.3(3) . . . no
C2 H4 C3 37.8(8) . . . no
C2 H4 C3 88.7(4) . . . no
C2 H4 C3 88.7(4) . . . no
C2 H4 C4 73.7(7) . . . no
C2 H4 C5 33.1(3) . . . no
C2 H4 C5 113.4(3) . . . no
C2 H4 C5 113.4(3) . . . no
C2 H4 C6 106.4(8) . . . no
C2 H4 H1 6.4(4) . . . no
C2 H4 H1 141.2(9) . . . no
C2 H4 H2 32.2(4) . . . no
C2 H4 H2 32.1(4) . . . no
C2 H4 H2 127.4(5) . . . no
C2 H4 H2 127.4(5) . . . no
C2 H4 H3 52.0(8) . . . no
C2 H4 H3 101.9(5) . . . no
C2 H4 H3 101.9(5) . . . no
C2 H4 H4 77.3(6) . . . no
C2 H4 H4 77.3(6) . . . no
C2 H4 H5 125.9(11) . . . no
C2 H4 H6 104.3(8) . . . no
C2 H4 H6 104.3(8) . . . no
C2 H4 C2 127.5(6) 2_747 2_747 2_747 no
C2 H4 C3 116.1(3) 2_747 2_747 2_747 no
C2 H4 C3 21.13(6) 2_747 2_747 2_747 no
C2 H4 C3 131.5(6) 2_747 2_747 2_747 no
C2 H4 C4 112.8(3) 2_747 2_747 2_747 no
C2 H4 C5 95.4(3) 2_747 2_747 2_747 no
C2 H4 C5 23.28(6) 2_747 2_747 2_747 no
C2 H4 C5 136.1(6) 2_747 2_747 2_747 no
C2 H4 C6 102.1(3) 2_747 2_747 2_747 no
C2 H4 H1 110.3(3) 2_747 2_747 2_747 no
C2 H4 H1 63.9(3) 2_747 2_747 2_747 no
C2 H4 H2 86.8(5) 2_747 2_747 2_747 no
C2 H4 H2 106.2(5) 2_747 2_747 2_747 no
C2 H4 H2 123.8(6) 2_747 2_747 2_747 no
C2 H4 H2 32.8(3) 2_747 2_747 2_747 no
C2 H4 H3 87.0(4) 2_747 2_747 2_747 no
C2 H4 H3 31.8(4) 2_747 2_747 2_747 no
C2 H4 H3 149.2(7) 2_747 2_747 2_747 no
C2 H4 H4 31.0(3) 2_747 2_747 2_747 no
C2 H4 H4 142.8(9) 2_747 2_747 2_747 no
C2 H4 H5 93.9(4) 2_747 2_747 2_747 no
C2 H4 H6 91.1(4) 2_747 2_747 2_747 no
C2 H4 H6 114.5(5) 2_747 2_747 2_747 no
C2 H4 C3 116.1(3) 2_757 2_757 2_757 no
C2 H4 C3 131.5(6) 2_757 2_757 2_757 no
C2 H4 C3 21.13(6) 2_757 2_757 2_757 no
C2 H4 C4 112.8(3) 2_757 2_757 2_757 no
C2 H4 C5 95.4(3) 2_757 2_757 2_757 no
C2 H4 C5 136.1(6) 2_757 2_757 2_757 no
C2 H4 C5 23.28(6) 2_757 2_757 2_757 no
C2 H4 C6 102.1(3) 2_757 2_757 2_757 no
C2 H4 H1 110.3(3) 2_757 2_757 2_757 no
C2 H4 H1 63.9(3) 2_757 2_757 2_757 no
C2 H4 H2 106.2(5) 2_757 2_757 2_757 no
C2 H4 H2 86.8(5) 2_757 2_757 2_757 no
C2 H4 H2 32.8(3) 2_757 2_757 2_757 no
C2 H4 H2 123.8(6) 2_757 2_757 2_757 no
C2 H4 H3 87.1(4) 2_757 2_757 2_757 no
C2 H4 H3 149.2(7) 2_757 2_757 2_757 no
C2 H4 H3 31.8(4) 2_757 2_757 2_757 no
C2 H4 H4 142.8(9) 2_757 2_757 2_757 no
C2 H4 H4 31.0(3) 2_757 2_757 2_757 no
C2 H4 H5 93.9(4) 2_757 2_757 2_757 no
C2 H4 H6 114.5(5) 2_757 2_757 2_757 no
C2 H4 H6 91.0(4) 2_757 2_757 2_757 no
C3 H4 C3 105.2(6) . . . no
C3 H4 C3 105.2(6) . . . no
C3 H4 C4 35.9(8) . . . no
C3 H4 C5 70.8(11) . . . no
C3 H4 C5 105.3(5) . . . no
C3 H4 C5 105.2(5) . . . no
C3 H4 C6 68.6(11) . . . no
C3 H4 H1 31.4(10) . . . no
C3 H4 H1 179.0(15) . . . no
C3 H4 H2 68.7(11) . . . no
C3 H4 H2 68.7(11) . . . no
C3 H4 H2 112.5(8) . . . no
C3 H4 H2 112.5(8) . . . no
C3 H4 H3 89.7(14) . . . no
C3 H4 H3 91.5(7) . . . no
C3 H4 H3 91.5(7) . . . no
C3 H4 H4 91.3(8) . . . no
C3 H4 H4 91.3(8) . . . no
C3 H4 H5 88.1(14) . . . no
C3 H4 H6 67.5(11) . . . no
C3 H4 H6 67.5(11) . . . no
C3 H4 C3 125.7(5) 2_747 2_747 2_747 no
C3 H4 C4 115.6(3) 2_747 2_747 2_747 no
C3 H4 C5 74.5(3) 2_747 2_747 2_747 no
C3 H4 C5 39.98(8) 2_747 2_747 2_747 no
C3 H4 C5 149.3(6) 2_747 2_747 2_747 no
C3 H4 C6 116.4(3) 2_747 2_747 2_747 no
C3 H4 H1 91.7(4) 2_747 2_747 2_747 no
C3 H4 H1 74.4(4) 2_747 2_747 2_747 no
C3 H4 H2 65.7(4) 2_747 2_747 2_747 no
C3 H4 H2 85.4(5) 2_747 2_747 2_747 no
C3 H4 H2 141.1(7) 2_747 2_747 2_747 no
C3 H4 H2 52.6(4) 2_747 2_747 2_747 no
C3 H4 H3 68.1(3) 2_747 2_747 2_747 no
C3 H4 H3 42.1(4) 2_747 2_747 2_747 no
C3 H4 H3 162.6(8) 2_747 2_747 2_747 no
C3 H4 H4 13.9(3) 2_747 2_747 2_747 no
C3 H4 H4 132.0(8) 2_747 2_747 2_747 no
C3 H4 H5 112.5(3) 2_747 2_747 2_747 no
C3 H4 H6 103.9(4) 2_747 2_747 2_747 no
C3 H4 H6 129.2(5) 2_747 2_747 2_747 no
C3 H4 C4 115.5(3) 2_757 2_757 2_757 no
C3 H4 C5 74.5(3) 2_757 2_757 2_757 no
C3 H4 C5 149.3(6) 2_757 2_757 2_757 no
C3 H4 C5 39.98(8) 2_757 2_757 2_757 no
C3 H4 C6 116.3(3) 2_757 2_757 2_757 no
C3 H4 H1 91.7(4) 2_757 2_757 2_757 no
C3 H4 H1 74.4(4) 2_757 2_757 2_757 no
C3 H4 H2 85.4(5) 2_757 2_757 2_757 no
C3 H4 H2 65.7(4) 2_757 2_757 2_757 no
C3 H4 H2 52.6(4) 2_757 2_757 2_757 no
C3 H4 H2 141.1(7) 2_757 2_757 2_757 no
C3 H4 H3 68.1(3) 2_757 2_757 2_757 no
C3 H4 H3 162.5(8) 2_757 2_757 2_757 no
C3 H4 H3 42.1(4) 2_757 2_757 2_757 no
C3 H4 H4 132.0(8) 2_757 2_757 2_757 no
C3 H4 H4 13.9(3) 2_757 2_757 2_757 no
C3 H4 H5 112.5(3) 2_757 2_757 2_757 no
C3 H4 H6 129.2(5) 2_757 2_757 2_757 no
C3 H4 H6 103.8(4) 2_757 2_757 2_757 no
C4 H4 C5 106.7(8) . . . no
C4 H4 C5 91.8(4) . . . no
C4 H4 C5 91.8(4) . . . no
C4 H4 C6 32.7(3) . . . no
C4 H4 H1 67.3(6) . . . no
C4 H4 H1 145.2(9) . . . no
C4 H4 H2 103.9(8) . . . no
C4 H4 H2 103.9(8) . . . no
C4 H4 H2 91.1(5) . . . no
C4 H4 H2 91.1(5) . . . no
C4 H4 H3 125.6(11) . . . no
C4 H4 H3 81.0(5) . . . no
C4 H4 H3 81.0(5) . . . no
C4 H4 H4 104.2(7) . . . no
C4 H4 H4 104.2(7) . . . no
C4 H4 H5 52.2(8) . . . no
C4 H4 H6 33.3(4) . . . no
C4 H4 H6 33.3(4) . . . no
C5 H4 C5 112.2(3) . . . no
C5 H4 C5 112.3(3) . . . no
C5 H4 C6 139.5(8) . . . no
C5 H4 H1 39.5(5) . . . no
C5 H4 H1 108.1(7) . . . no
C5 H4 H2 11.0(4) . . . no
C5 H4 H2 11.0(4) . . . no
C5 H4 H2 126.5(4) . . . no
C5 H4 H2 126.5(4) . . . no
C5 H4 H3 18.9(6) . . . no
C5 H4 H3 107.1(4) . . . no
C5 H4 H3 107.1(4) . . . no
C5 H4 H4 69.0(5) . . . no
C5 H4 H4 69.0(5) . . . no
C5 H4 H5 158.9(11) . . . no
C5 H4 H6 136.2(8) . . . no
C5 H4 H6 136.2(8) . . . no
C5 H4 C5 132.1(5) 2_747 2_747 2_747 no
C5 H4 C6 78.9(3) 2_747 2_747 2_747 no
C5 H4 H1 112.7(3) 2_747 2_747 2_747 no
C5 H4 H1 75.1(3) 2_747 2_747 2_747 no
C5 H4 H2 102.0(4) 2_747 2_747 2_747 no
C5 H4 H2 123.2(5) 2_747 2_747 2_747 no
C5 H4 H2 117.2(6) 2_747 2_747 2_747 no
C5 H4 H2 15.0(3) 2_747 2_747 2_747 no
C5 H4 H3 108.1(3) 2_747 2_747 2_747 no
C5 H4 H3 13.8(4) 2_747 2_747 2_747 no
C5 H4 H3 140.4(6) 2_747 2_747 2_747 no
C5 H4 H4 43.3(3) 2_747 2_747 2_747 no
C5 H4 H4 163.0(9) 2_747 2_747 2_747 no
C5 H4 H5 72.5(3) 2_747 2_747 2_747 no
C5 H4 H6 67.8(4) 2_747 2_747 2_747 no
C5 H4 H6 91.5(5) 2_747 2_747 2_747 no
C5 H4 C6 78.9(3) 2_757 2_757 2_757 no
C5 H4 H1 112.7(3) 2_757 2_757 2_757 no
C5 H4 H1 75.1(3) 2_757 2_757 2_757 no
C5 H4 H2 123.3(5) 2_757 2_757 2_757 no
C5 H4 H2 102.0(4) 2_757 2_757 2_757 no
C5 H4 H2 14.9(3) 2_757 2_757 2_757 no
C5 H4 H2 117.2(6) 2_757 2_757 2_757 no
C5 H4 H3 108.1(3) 2_757 2_757 2_757 no
C5 H4 H3 140.4(6) 2_757 2_757 2_757 no
C5 H4 H3 13.8(4) 2_757 2_757 2_757 no
C5 H4 H4 163.0(9) 2_757 2_757 2_757 no
C5 H4 H4 43.3(3) 2_757 2_757 2_757 no
C5 H4 H5 72.5(3) 2_757 2_757 2_757 no
C5 H4 H6 91.4(5) 2_757 2_757 2_757 no
C5 H4 H6 67.7(4) 2_757 2_757 2_757 no
C6 H4 H1 100.0(7) . . . no
C6 H4 H1 112.4(7) . . . no
C6 H4 H2 135.8(7) . . . no
C6 H4 H2 135.8(7) . . . no
C6 H4 H2 71.1(4) . . . no
C6 H4 H2 71.2(4) . . . no
C6 H4 H3 158.4(11) . . . no
C6 H4 H3 74.2(5) . . . no
C6 H4 H3 74.2(5) . . . no
C6 H4 H4 111.7(5) . . . no
C6 H4 H4 111.6(5) . . . no
C6 H4 H5 19.5(6) . . . no
C6 H4 H6 12.9(4) . . . no
C6 H4 H6 12.9(4) . . . no
H1 H4 H1 147.6(9) . . . no
H1 H4 H2 38.2(5) . . . no
H1 H4 H2 38.2(5) . . . no
H1 H4 H2 125.8(5) . . . no
H1 H4 H2 125.8(5) . . . no
H1 H4 H3 58.4(8) . . . no
H1 H4 H3 100.3(5) . . . no
H1 H4 H3 100.3(5) . . . no
H1 H4 H4 79.5(6) . . . no
H1 H4 H4 79.5(6) . . . no
H1 H4 H5 119.4(10) . . . no
H1 H4 H6 98.0(6) . . . no
H1 H4 H6 98.0(6) . . . no
H1 H4 H2 110.3(7) 1_655 1_655 1_655 no
H1 H4 H2 110.3(7) 1_655 1_655 1_655 no
H1 H4 H2 68.1(5) 1_655 1_655 1_655 no
H1 H4 H2 68.0(5) 1_655 1_655 1_655 no
H1 H4 H3 89.2(9) 1_655 1_655 1_655 no
H1 H4 H3 88.8(6) 1_655 1_655 1_655 no
H1 H4 H3 88.8(6) 1_655 1_655 1_655 no
H1 H4 H4 88.3(7) 1_655 1_655 1_655 no
H1 H4 H4 88.3(7) 1_655 1_655 1_655 no
H1 H4 H5 93.0(9) 1_655 1_655 1_655 no
H1 H4 H6 113.5(7) 1_655 1_655 1_655 no
H1 H4 H6 113.5(7) 1_655 1_655 1_655 no
H2 H4 H2 21.5(8) . . . no
H2 H4 H2 137.6(7) . . . no
H2 H4 H2 116.6(4) . . . no
H2 H4 H3 23.9(6) . . . no
H2 H4 H3 96.2(5) . . . no
H2 H4 H3 117.6(6) . . . no
H2 H4 H4 58.8(6) . . . no
H2 H4 H4 80.0(7) . . . no
H2 H4 H5 154.1(9) . . . no
H2 H4 H6 129.6(7) . . . no
H2 H4 H6 136.1(8) . . . no
H2 H4 H2 116.6(4) 4 4 4 no
H2 H4 H2 137.5(7) 4 4 4 no
H2 H4 H3 23.9(6) 4 4 4 no
H2 H4 H3 117.6(6) 4 4 4 no
H2 H4 H3 96.2(5) 4 4 4 no
H2 H4 H4 80.0(7) 4 4 4 no
H2 H4 H4 58.9(6) 4 4 4 no
H2 H4 H5 154.1(9) 4 4 4 no
H2 H4 H6 136.1(8) 4 4 4 no
H2 H4 H6 129.6(7) 4 4 4 no
H2 H4 H2 102.3(8) 2_757 2_757 2_757 no
H2 H4 H3 119.9(6) 2_757 2_757 2_757 no
H2 H4 H3 125.6(7) 2_757 2_757 2_757 no
H2 H4 H3 25.5(5) 2_757 2_757 2_757 no
H2 H4 H4 154.4(10) 2_757 2_757 2_757 no
H2 H4 H4 57.7(5) 2_757 2_757 2_757 no
H2 H4 H5 61.1(5) 2_757 2_757 2_757 no
H2 H4 H6 82.7(6) 2_757 2_757 2_757 no
H2 H4 H6 61.9(5) 2_757 2_757 2_757 no
H2 H4 H3 119.9(6) 3_757 3_757 3_757 no
H2 H4 H3 25.5(5) 3_757 3_757 3_757 no
H2 H4 H3 125.6(7) 3_757 3_757 3_757 no
H2 H4 H4 57.7(5) 3_757 3_757 3_757 no
H2 H4 H4 154.4(10) 3_757 3_757 3_757 no
H2 H4 H5 61.1(5) 3_757 3_757 3_757 no
H2 H4 H6 61.9(5) 3_757 3_757 3_757 no
H2 H4 H6 82.7(6) 3_757 3_757 3_757 no
H3 H4 H3 107.6(4) . . . no
H3 H4 H3 107.6(4) . . . no
H3 H4 H4 67.2(5) . . . no
H3 H4 H4 67.2(5) . . . no
H3 H4 H5 177.8(12) . . . no
H3 H4 H6 153.5(9) . . . no
H3 H4 H6 153.5(9) . . . no
H3 H4 H3 144.7(8) 2_747 2_747 2_747 no
H3 H4 H4 40.4(4) 2_747 2_747 2_747 no
H3 H4 H4 174.1(9) 2_747 2_747 2_747 no
H3 H4 H5 72.5(4) 2_747 2_747 2_747 no
H3 H4 H6 61.9(5) 2_747 2_747 2_747 no
H3 H4 H6 87.1(6) 2_747 2_747 2_747 no
H3 H4 H4 174.1(9) 2_757 2_757 2_757 no
H3 H4 H4 40.4(4) 2_757 2_757 2_757 no
H3 H4 H5 72.5(4) 2_757 2_757 2_757 no
H3 H4 H6 87.1(6) 2_757 2_757 2_757 no
H3 H4 H6 61.8(5) 2_757 2_757 2_757 no
H4 H4 H4 134.3(10) 2_747 2_747 2_747 no
H4 H4 H5 112.8(5) 2_747 2_747 2_747 no
H4 H4 H6 98.8(6) 2_747 2_747 2_747 no
H4 H4 H6 124.1(7) 2_747 2_747 2_747 no
H4 H4 H5 112.8(5) 2_757 2_757 2_757 no
H4 H4 H6 124.0(7) 2_757 2_757 2_757 no
H4 H4 H6 98.7(6) 2_757 2_757 2_757 no
H5 H4 H6 24.6(6) . . . no
H5 H4 H6 24.6(6) . . . no
H6 H4 H6 25.5(7) . . . no
CL1 H5 CL1 119.9(6) 2_646 2_646 2_646 no
CL1 H5 O1 106.4(5) 2_646 2_646 2_646 no
CL1 H5 N2 93.7(5) 2_646 2_646 2_646 no
CL1 H5 C1 103.6(5) 2_646 2_646 2_646 no
CL1 H5 C2 112.7(4) 2_646 2_646 2_646 no
CL1 H5 C3 113.9(4) 2_646 2_646 2_646 no
CL1 H5 C4 101.1(6) 2_646 2_646 2_646 no
CL1 H5 C5 56.24(5) 2_646 2_646 2_646 no
CL1 H5 C5 170.1(8) 2_646 2_646 2_646 no
CL1 H5 C6 80.3(8) 2_646 2_646 2_646 no
CL1 H5 C7 82.4(4) 2_646 2_646 2_646 no
CL1 H5 C7 84.8(4) 2_646 2_646 2_646 no
CL1 H5 C8 64.6(3) 2_646 2_646 2_646 no
CL1 H5 C8 95.4(5) 2_646 2_646 2_646 no
CL1 H5 H2 158.2(9) 2_646 2_646 2_646 no
CL1 H5 H2 56.0(4) 2_646 2_646 2_646 no
CL1 H5 H3 53.1(3) 2_646 2_646 2_646 no
CL1 H5 H3 171.7(8) 2_646 2_646 2_646 no
CL1 H5 H4 118.8(3) 2_646 2_646 2_646 no
CL1 H5 H6 44.3(8) 2_646 2_646 2_646 no
CL1 H5 H6 97.7(11) 2_646 2_646 2_646 no
CL1 H5 O1 106.4(5) 2_656 2_656 2_656 no
CL1 H5 N2 93.7(5) 2_656 2_656 2_656 no
CL1 H5 C1 103.6(5) 2_656 2_656 2_656 no
CL1 H5 C2 112.7(4) 2_656 2_656 2_656 no
CL1 H5 C3 113.9(4) 2_656 2_656 2_656 no
CL1 H5 C4 101.1(6) 2_656 2_656 2_656 no
CL1 H5 C5 170.1(8) 2_656 2_656 2_656 no
CL1 H5 C5 56.24(5) 2_656 2_656 2_656 no
CL1 H5 C6 80.3(8) 2_656 2_656 2_656 no
CL1 H5 C7 82.4(4) 2_656 2_656 2_656 no
CL1 H5 C7 84.8(4) 2_656 2_656 2_656 no
CL1 H5 C8 95.4(5) 2_656 2_656 2_656 no
CL1 H5 C8 64.6(3) 2_656 2_656 2_656 no
CL1 H5 H2 56.0(4) 2_656 2_656 2_656 no
CL1 H5 H2 158.3(9) 2_656 2_656 2_656 no
CL1 H5 H3 171.7(8) 2_656 2_656 2_656 no
CL1 H5 H3 53.1(3) 2_656 2_656 2_656 no
CL1 H5 H4 118.8(3) 2_656 2_656 2_656 no
CL1 H5 H6 97.7(11) 2_656 2_656 2_656 no
CL1 H5 H6 44.3(8) 2_656 2_656 2_656 no
O1 H5 N2 138.3(9) 1_655 1_655 1_655 no
O1 H5 C1 6.3(2) 1_655 1_655 1_655 no
O1 H5 C2 95.3(7) 1_655 1_655 1_655 no
O1 H5 C3 91.8(8) 1_655 1_655 1_655 no
O1 H5 C4 123.2(11) 1_655 1_655 1_655 no
O1 H5 C5 68.3(4) 1_655 1_655 1_655 no
O1 H5 C5 68.3(4) 1_655 1_655 1_655 no
O1 H5 C6 165.3(21) 1_655 1_655 1_655 no
O1 H5 C7 161.1(9) 1_655 1_655 1_655 no
O1 H5 C7 44.7(5) 1_655 1_655 1_655 no
O1 H5 C8 56.7(5) 1_655 1_655 1_655 no
O1 H5 C8 56.7(5) 1_655 1_655 1_655 no
O1 H5 H2 60.0(5) 1_655 1_655 1_655 no
O1 H5 H2 60.0(5) 1_655 1_655 1_655 no
O1 H5 H3 80.9(6) 1_655 1_655 1_655 no
O1 H5 H3 81.0(6) 1_655 1_655 1_655 no
O1 H5 H4 71.6(8) 1_655 1_655 1_655 no
O1 H5 H6 149.7(10) 1_655 1_655 1_655 no
O1 H5 H6 149.8(10) 1_655 1_655 1_655 no
N2 H5 C1 144.6(8) . . . no
N2 H5 C2 43.0(3) . . . no
N2 H5 C3 46.5(4) . . . no
N2 H5 C4 15.1(3) . . . no
N2 H5 C5 95.6(4) . . . no
N2 H5 C5 95.6(4) . . . no
N2 H5 C6 27.0(12) . . . no
N2 H5 C7 22.8(2) . . . no
N2 H5 C7 177.1(8) . . . no
N2 H5 C8 158.2(5) . . . no
N2 H5 C8 158.2(5) . . . no
N2 H5 H2 107.6(6) . . . no
N2 H5 H2 107.6(6) . . . no
N2 H5 H3 82.9(6) . . . no
N2 H5 H3 82.9(6) . . . no
N2 H5 H4 66.6(7) . . . no
N2 H5 H6 55.3(12) . . . no
N2 H5 H6 55.3(12) . . . no
C1 H5 C2 101.6(6) 1_655 1_655 1_655 no
C1 H5 C3 98.1(7) 1_655 1_655 1_655 no
C1 H5 C4 129.5(10) 1_655 1_655 1_655 no
C1 H5 C5 70.3(4) 1_655 1_655 1_655 no
C1 H5 C5 70.3(4) 1_655 1_655 1_655 no
C1 H5 C6 171.6(19) 1_655 1_655 1_655 no
C1 H5 C7 167.4(7) 1_655 1_655 1_655 no
C1 H5 C7 38.3(3) 1_655 1_655 1_655 no
C1 H5 C8 50.8(4) 1_655 1_655 1_655 no
C1 H5 C8 50.8(4) 1_655 1_655 1_655 no
C1 H5 H2 61.0(5) 1_655 1_655 1_655 no
C1 H5 H2 61.0(5) 1_655 1_655 1_655 no
C1 H5 H3 83.3(6) 1_655 1_655 1_655 no
C1 H5 H3 83.3(6) 1_655 1_655 1_655 no
C1 H5 H4 78.0(8) 1_655 1_655 1_655 no
C1 H5 H6 147.8(11) 1_655 1_655 1_655 no
C1 H5 H6 147.8(11) 1_655 1_655 1_655 no
C2 H5 C3 3.5(2) . . . no
C2 H5 C4 27.9(4) . . . no
C2 H5 C5 76.6(4) . . . no
C2 H5 C5 76.6(4) . . . no
C2 H5 C6 70.0(15) . . . no
C2 H5 C7 65.8(4) . . . no
C2 H5 C7 140.0(7) . . . no
C2 H5 C8 145.7(6) . . . no
C2 H5 C8 145.7(6) . . . no
C2 H5 H2 86.6(6) . . . no
C2 H5 H2 86.6(6) . . . no
C2 H5 H3 69.7(5) . . . no
C2 H5 H3 69.8(5) . . . no
C2 H5 H4 23.7(6) . . . no
C2 H5 H6 91.9(13) . . . no
C2 H5 H6 91.9(13) . . . no
C3 H5 C4 31.4(4) . . . no
C3 H5 C5 75.2(4) . . . no
C3 H5 C5 75.2(4) . . . no
C3 H5 C6 73.5(15) . . . no
C3 H5 C7 69.3(6) . . . no
C3 H5 C7 136.5(9) . . . no
C3 H5 C8 142.7(8) . . . no
C3 H5 C8 142.7(8) . . . no
C3 H5 H2 84.9(6) . . . no
C3 H5 H2 84.9(6) . . . no
C3 H5 H3 69.1(5) . . . no
C3 H5 H3 69.1(5) . . . no
C3 H5 H4 20.2(5) . . . no
C3 H5 H6 94.9(14) . . . no
C3 H5 H6 94.9(14) . . . no
C4 H5 C5 88.8(5) . . . no
C4 H5 C5 88.8(5) . . . no
C4 H5 C6 42.1(12) . . . no
C4 H5 C7 37.9(5) . . . no
C4 H5 C7 167.9(11) . . . no
C4 H5 C8 162.3(2) . . . no
C4 H5 C8 162.3(2) . . . no
C4 H5 H2 100.7(7) . . . no
C4 H5 H2 100.7(7) . . . no
C4 H5 H3 77.5(5) . . . no
C4 H5 H3 77.5(5) . . . no
C4 H5 H4 51.5(7) . . . no
C4 H5 H6 67.8(13) . . . no
C4 H5 H6 67.8(13) . . . no
C5 H5 C5 125.8(7) 2_747 2_747 2_747 no
C5 H5 C6 106.8(7) 2_747 2_747 2_747 no
C5 H5 C7 105.2(4) 2_747 2_747 2_747 no
C5 H5 C7 85.7(5) 2_747 2_747 2_747 no
C5 H5 C8 74.7(3) 2_747 2_747 2_747 no
C5 H5 C8 105.9(6) 2_747 2_747 2_747 no
C5 H5 H2 123.6(8) 2_747 2_747 2_747 no
C5 H5 H2 12.0(4) 2_747 2_747 2_747 no
C5 H5 H3 13.5(4) 2_747 2_747 2_747 no
C5 H5 H3 131.5(7) 2_747 2_747 2_747 no
C5 H5 H4 68.3(4) 2_747 2_747 2_747 no
C5 H5 H6 85.0(8) 2_747 2_747 2_747 no
C5 H5 H6 141.8(13) 2_747 2_747 2_747 no
C5 H5 C6 106.8(7) 2_757 2_757 2_757 no
C5 H5 C7 105.2(4) 2_757 2_757 2_757 no
C5 H5 C7 85.7(5) 2_757 2_757 2_757 no
C5 H5 C8 105.9(6) 2_757 2_757 2_757 no
C5 H5 C8 74.7(3) 2_757 2_757 2_757 no
C5 H5 H2 12.1(4) 2_757 2_757 2_757 no
C5 H5 H2 123.6(8) 2_757 2_757 2_757 no
C5 H5 H3 131.5(7) 2_757 2_757 2_757 no
C5 H5 H3 13.5(4) 2_757 2_757 2_757 no
C5 H5 H4 68.3(4) 2_757 2_757 2_757 no
C5 H5 H6 141.8(13) 2_757 2_757 2_757 no
C5 H5 H6 84.9(8) 2_757 2_757 2_757 no
C6 H5 C7 4.2(12) . . . no
C6 H5 C7 150.0(18) . . . no
C6 H5 C8 136.8(16) . . . no
C6 H5 C8 136.8(16) . . . no
C6 H5 H2 117.1(7) . . . no
C6 H5 H2 117.2(7) . . . no
C6 H5 H3 93.5(8) . . . no
C6 H5 H3 93.4(8) . . . no
C6 H5 H4 93.7(17) . . . no
C6 H5 H6 36.2(11) . . . no
C6 H5 H6 36.2(11) . . . no
C7 H5 C7 154.2(7) . . . no
C7 H5 C8 140.6(6) . . . no
C7 H5 C8 140.6(6) . . . no
C7 H5 H2 116.0(6) . . . no
C7 H5 H2 116.0(6) . . . no
C7 H5 H3 91.8(6) . . . no
C7 H5 H3 91.8(6) . . . no
C7 H5 H4 89.5(9) . . . no
C7 H5 H6 38.7(10) . . . no
C7 H5 H6 38.7(10) . . . no
C7 H5 C8 20.19(13) 1_655 1_655 1_655 no
C7 H5 C8 20.20(13) 1_655 1_655 1_655 no
C7 H5 H2 73.7(6) 1_655 1_655 1_655 no
C7 H5 H2 73.7(6) 1_655 1_655 1_655 no
C7 H5 H3 98.2(6) 1_655 1_655 1_655 no
C7 H5 H3 98.2(6) 1_655 1_655 1_655 no
C7 H5 H4 116.3(10) 1_655 1_655 1_655 no
C7 H5 H6 122.3(13) 1_655 1_655 1_655 no
C7 H5 H6 122.3(13) 1_655 1_655 1_655 no
C8 H5 C8 35.2(2) 1_655 1_655 1_655 no
C8 H5 H2 93.8(7) 1_655 1_655 1_655 no
C8 H5 H2 63.1(5) 1_655 1_655 1_655 no
C8 H5 H3 85.3(5) 1_655 1_655 1_655 no
C8 H5 H3 118.2(7) 1_655 1_655 1_655 no
C8 H5 H4 124.5(9) 1_655 1_655 1_655 no
C8 H5 H6 103.8(12) 1_655 1_655 1_655 no
C8 H5 H6 122.4(14) 1_655 1_655 1_655 no
C8 H5 H2 63.1(5) 4_655 4_655 4_655 no
C8 H5 H2 93.9(7) 4_655 4_655 4_655 no
C8 H5 H3 118.2(7) 4_655 4_655 4_655 no
C8 H5 H3 85.3(5) 4_655 4_655 4_655 no
C8 H5 H4 124.5(9) 4_655 4_655 4_655 no
C8 H5 H6 122.3(14) 4_655 4_655 4_655 no
C8 H5 H6 103.8(12) 4_655 4_655 4_655 no
H2 H5 H2 118.6(10) 2_757 2_757 2_757 no
H2 H5 H3 132.3(9) 2_757 2_757 2_757 no
H2 H5 H3 25.0(5) 2_757 2_757 2_757 no
H2 H5 H4 75.1(6) 2_757 2_757 2_757 no
H2 H5 H6 149.9(12) 2_757 2_757 2_757 no
H2 H5 H6 91.2(8) 2_757 2_757 2_757 no
H2 H5 H3 25.0(5) 3_757 3_757 3_757 no
H2 H5 H3 132.3(9) 3_757 3_757 3_757 no
H2 H5 H4 75.1(6) 3_757 3_757 3_757 no
H2 H5 H6 91.2(8) 3_757 3_757 3_757 no
H2 H5 H6 150.0(12) 3_757 3_757 3_757 no
H3 H5 H3 133.5(9) 2_747 2_747 2_747 no
H3 H5 H4 66.8(4) 2_747 2_747 2_747 no
H3 H5 H6 74.1(9) 2_747 2_747 2_747 no
H3 H5 H6 128.9(14) 2_747 2_747 2_747 no
H3 H5 H4 66.9(4) 2_757 2_757 2_757 no
H3 H5 H6 128.9(14) 2_757 2_757 2_757 no
H3 H5 H6 74.1(9) 2_757 2_757 2_757 no
H4 H5 H6 112.3(15) . . . no
H4 H5 H6 112.3(15) . . . no
H6 H5 H6 58.8(18) . . . no
CL1 H6 CL2 76.7(4) 2_646 2_646 2_646 no
CL1 H6 O1 97.1(5) 2_646 2_646 2_646 no
CL1 H6 N2 133.8(7) 2_646 2_646 2_646 no
CL1 H6 C1 129.0(6) 2_646 2_646 2_646 no
CL1 H6 C3 127.2(6) 2_646 2_646 2_646 no
CL1 H6 C4 139.3(8) 2_646 2_646 2_646 no
CL1 H6 C5 60.9(3) 2_646 2_646 2_646 no
CL1 H6 C6 148.4(14) 2_646 2_646 2_646 no
CL1 H6 C7 122.9(7) 2_646 2_646 2_646 no
CL1 H6 C8 95.4(6) 2_646 2_646 2_646 no
CL1 H6 C8 132.5(6) 2_646 2_646 2_646 no
CL1 H6 C9 89.1(5) 2_646 2_646 2_646 no
CL1 H6 C9 46.5(3) 2_646 2_646 2_646 no
CL1 H6 C10 26.5(2) 2_646 2_646 2_646 no
CL1 H6 H2 61.4(5) 2_646 2_646 2_646 no
CL1 H6 H3 61.3(5) 2_646 2_646 2_646 no
CL1 H6 H4 120.5(6) 2_646 2_646 2_646 no
CL1 H6 H5 114.8(12) 2_646 2_646 2_646 no
CL1 H6 H6 150.9(4) 2_646 2_646 2_646 no
CL1 H6 H7 84.4(6) 2_646 2_646 2_646 no
CL1 H6 H7 146.3(7) 2_646 2_646 2_646 no
CL1 H6 H8 100.1(6) 2_646 2_646 2_646 no
CL1 H6 H8 56.1(6) 2_646 2_646 2_646 no
CL2 H6 O1 103.9(4) . . . no
CL2 H6 N2 60.0(4) . . . no
CL2 H6 C1 53.9(2) . . . no
CL2 H6 C3 64.5(3) . . . no
CL2 H6 C4 65.9(5) . . . no
CL2 H6 C5 55.6(3) . . . no
CL2 H6 C6 106.7(12) . . . no
CL2 H6 C7 72.5(4) . . . no
CL2 H6 C8 61.7(3) . . . no
CL2 H6 C8 93.4(4) . . . no
CL2 H6 C9 76.3(3) . . . no
CL2 H6 C9 105.0(5) . . . no
CL2 H6 C10 88.7(4) . . . no
CL2 H6 H2 68.8(5) . . . no
CL2 H6 H3 43.6(4) . . . no
CL2 H6 H4 72.0(4) . . . no
CL2 H6 H5 111.8(12) . . . no
CL2 H6 H6 132.3(3) . . . no
CL2 H6 H7 44.2(4) . . . no
CL2 H6 H7 98.3(5) . . . no
CL2 H6 H8 150.2(6) . . . no
CL2 H6 H8 116.7(7) . . . no
O1 H6 N2 107.7(5) 1_655 1_655 1_655 no
O1 H6 C1 105.6(4) 1_655 1_655 1_655 no
O1 H6 C3 61.9(3) 1_655 1_655 1_655 no
O1 H6 C4 77.7(5) 1_655 1_655 1_655 no
O1 H6 C5 56.3(3) 1_655 1_655 1_655 no
O1 H6 C6 51.3(10) 1_655 1_655 1_655 no
O1 H6 C7 136.2(6) 1_655 1_655 1_655 no
O1 H6 C8 158.0(6) 1_655 1_655 1_655 no
O1 H6 C8 130.2(6) 1_655 1_655 1_655 no
O1 H6 C9 173.7(6) 1_655 1_655 1_655 no
O1 H6 C9 124.0(5) 1_655 1_655 1_655 no
O1 H6 C10 117.4(5) 1_655 1_655 1_655 no
O1 H6 H2 45.8(4) 1_655 1_655 1_655 no
O1 H6 H3 66.8(4) 1_655 1_655 1_655 no
O1 H6 H4 46.6(4) 1_655 1_655 1_655 no
O1 H6 H5 18.5(7) 1_655 1_655 1_655 no
O1 H6 H6 78.5(3) 1_655 1_655 1_655 no
O1 H6 H7 147.0(6) 1_655 1_655 1_655 no
O1 H6 H7 116.3(6) 1_655 1_655 1_655 no
O1 H6 H8 105.9(6) 1_655 1_655 1_655 no
O1 H6 H8 120.2(6) 1_655 1_655 1_655 no
N2 H6 C1 6.8(1) . . . no
N2 H6 C3 47.3(3) . . . no
N2 H6 C4 30.1(3) . . . no
N2 H6 C5 101.9(5) . . . no
N2 H6 C6 66.7(10) . . . no
N2 H6 C7 31.6(2) . . . no
N2 H6 C8 51.3(3) . . . no
N2 H6 C8 44.2(3) . . . no
N2 H6 C9 66.7(4) . . . no
N2 H6 C9 128.3(6) . . . no
N2 H6 C10 130.2(6) . . . no
N2 H6 H2 111.5(6) . . . no
N2 H6 H3 93.3(6) . . . no
N2 H6 H4 62.6(5) . . . no
N2 H6 H5 96.7(14) . . . no
N2 H6 H6 73.7(4) . . . no
N2 H6 H7 53.9(5) . . . no
N2 H6 H7 41.6(4) . . . no
N2 H6 H8 109.3(7) . . . no
N2 H6 H8 129.9(7) . . . no
C1 H6 C3 44.0(2) . . . no
C1 H6 C4 28.4(3) . . . no
C1 H6 C5 95.3(4) . . . no
C1 H6 C6 68.5(10) . . . no
C1 H6 C7 36.3(2) . . . no
C1 H6 C8 52.8(3) . . . no
C1 H6 C8 50.5(2) . . . no
C1 H6 C9 69.3(3) . . . no
C1 H6 C9 130.2(5) . . . no
C1 H6 C10 129.0(5) . . . no
C1 H6 H2 105.3(5) . . . no
C1 H6 H3 86.6(5) . . . no
C1 H6 H4 59.4(4) . . . no
C1 H6 H5 96.4(13) . . . no
C1 H6 H6 79.3(3) . . . no
C1 H6 H7 52.6(4) . . . no
C1 H6 H7 48.4(3) . . . no
C1 H6 H8 116.0(6) . . . no
C1 H6 H8 133.5(6) . . . no
C3 H6 C4 18.5(2) . . . no
C3 H6 C5 67.8(3) . . . no
C3 H6 C6 42.3(9) . . . no
C3 H6 C7 78.6(5) . . . no
C3 H6 C8 96.2(5) . . . no
C3 H6 C8 85.9(4) . . . no
C3 H6 C9 113.2(5) . . . no
C3 H6 C9 169.5(7) . . . no
C3 H6 C10 150.5(6) . . . no
C3 H6 H2 71.6(5) . . . no
C3 H6 H3 65.9(4) . . . no
C3 H6 H4 15.4(3) . . . no
C3 H6 H5 56.3(12) . . . no
C3 H6 H6 76.3(4) . . . no
C3 H6 H7 91.0(5) . . . no
C3 H6 H7 76.5(4) . . . no
C3 H6 H8 131.2(8) . . . no
C3 H6 H8 176.4(8) . . . no
C4 H6 C5 84.2(5) . . . no
C4 H6 C6 43.7(8) . . . no
C4 H6 C7 60.7(5) . . . no
C4 H6 C8 81.0(6) . . . no
C4 H6 C8 67.5(5) . . . no
C4 H6 C9 96.8(6) . . . no
C4 H6 C9 158.4(8) . . . no
C4 H6 C10 153.7(8) . . . no
C4 H6 H2 89.5(6) . . . no
C4 H6 H3 80.1(6) . . . no
C4 H6 H4 33.0(4) . . . no
C4 H6 H5 68.2(13) . . . no
C4 H6 H6 68.4(6) . . . no
C4 H6 H7 80.0(6) . . . no
C4 H6 H7 58.8(5) . . . no
C4 H6 H8 120.3(9) . . . no
C4 H6 H8 158.1(9) . . . no
C5 H6 C6 94.4(11) 2_747 2_747 2_747 no
C5 H6 C7 126.2(6) 2_747 2_747 2_747 no
C5 H6 C8 116.1(6) 2_747 2_747 2_747 no
C5 H6 C8 145.4(5) 2_747 2_747 2_747 no
C5 H6 C9 126.8(5) 2_747 2_747 2_747 no
C5 H6 C9 107.3(5) 2_747 2_747 2_747 no
C5 H6 C10 87.2(4) 2_747 2_747 2_747 no
C5 H6 H2 13.2(3) 2_747 2_747 2_747 no
C5 H6 H3 12.1(4) 2_747 2_747 2_747 no
C5 H6 H4 59.6(3) 2_747 2_747 2_747 no
C5 H6 H5 72.4(8) 2_747 2_747 2_747 no
C5 H6 H6 131.5(3) 2_747 2_747 2_747 no
C5 H6 H7 97.6(6) 2_747 2_747 2_747 no
C5 H6 H7 142.2(5) 2_747 2_747 2_747 no
C5 H6 H8 148.0(6) 2_747 2_747 2_747 no
C5 H6 H8 115.8(7) 2_747 2_747 2_747 no
C6 H6 C7 87.0(12) . . . no
C6 H6 C8 114.1(13) . . . no
C6 H6 C8 79.1(11) . . . no
C6 H6 C9 122.5(13) . . . no
C6 H6 C9 148.0(14) . . . no
C6 H6 C10 162.3(14) . . . no
C6 H6 H2 89.9(11) . . . no
C6 H6 H3 98.8(12) . . . no
C6 H6 H4 39.2(9) . . . no
C6 H6 H5 34.0(10) . . . no
C6 H6 H6 38.6(11) . . . no
C6 H6 H7 120.6(13) . . . no
C6 H6 H7 65.3(11) . . . no
C6 H6 H8 91.5(13) . . . no
C6 H6 H8 136.0(14) . . . no
C7 H6 C8 27.5(2) . . . no
C7 H6 C8 20.9(2) . . . no
C7 H6 C9 37.6(2) . . . no
C7 H6 C9 98.2(5) . . . no
C7 H6 C10 106.3(5) . . . no
C7 H6 H2 138.4(7) . . . no
C7 H6 H3 115.0(7) . . . no
C7 H6 H4 93.7(6) . . . no
C7 H6 H5 120.9(14) . . . no
C7 H6 H6 74.1(4) . . . no
C7 H6 H7 41.0(5) . . . no
C7 H6 H7 29.6(4) . . . no
C7 H6 H8 85.4(5) . . . no
C7 H6 H8 98.4(6) . . . no
C8 H6 C8 42.4(3) . . . no
C8 H6 C9 18.05(13) . . . no
C8 H6 C9 77.5(4) . . . no
C8 H6 C10 80.5(4) . . . no
C8 H6 H2 129.1(7) . . . no
C8 H6 H3 104.2(6) . . . no
C8 H6 H4 111.4(6) . . . no
C8 H6 H5 147.4(15) . . . no
C8 H6 H6 98.7(4) . . . no
C8 H6 H7 18.7(5) . . . no
C8 H6 H7 54.8(5) . . . no
C8 H6 H8 89.6(5) . . . no
C8 H6 H8 81.8(6) . . . no
C8 H6 C9 43.7(2) 4 4 4 no
C8 H6 C9 94.6(4) 4 4 4 no
C8 H6 C10 109.2(5) 4 4 4 no
C8 H6 H2 155.6(7) 4 4 4 no
C8 H6 H3 135.0(6) 4 4 4 no
C8 H6 H4 99.0(5) 4 4 4 no
C8 H6 H5 112.0(12) 4 4 4 no
C8 H6 H6 56.4(3) 4 4 4 no
C8 H6 H7 59.3(6) 4 4 4 no
C8 H6 H7 13.9(3) 4 4 4 no
C8 H6 H8 66.6(5) 4 4 4 no
C8 H6 H8 90.6(6) 4 4 4 no
C9 H6 C9 61.6(3) . . . no
C9 H6 C10 68.9(3) . . . no
C9 H6 H2 138.2(7) . . . no
C9 H6 H3 115.7(6) . . . no
C9 H6 H4 128.6(6) . . . no
C9 H6 H5 155.7(12) . . . no
C9 H6 H6 96.6(3) . . . no
C9 H6 H7 32.3(4) . . . no
C9 H6 H7 57.6(4) . . . no
C9 H6 H8 74.0(4) . . . no
C9 H6 H8 64.5(5) . . . no
C9 H6 C10 20.99(11) 3_656 3_656 3_656 no
C9 H6 H2 105.8(6) 3_656 3_656 3_656 no
C9 H6 H3 107.2(6) 3_656 3_656 3_656 no
C9 H6 H4 166.2(7) 3_656 3_656 3_656 no
C9 H6 H5 132.3(14) 3_656 3_656 3_656 no
C9 H6 H6 112.7(3) 3_656 3_656 3_656 no
C9 H6 H7 80.4(5) 3_656 3_656 3_656 no
C9 H6 H7 105.7(5) 3_656 3_656 3_656 no
C9 H6 H8 57.8(5) 3_656 3_656 3_656 no
C9 H6 H8 12.1(5) 3_656 3_656 3_656 no
C10 H6 H2 87.6(5) 2_646 2_646 2_646 no
C10 H6 H3 86.3(5) 2_646 2_646 2_646 no
C10 H6 H4 146.8(6) 2_646 2_646 2_646 no
C10 H6 H5 132.1(13) 2_646 2_646 2_646 no
C10 H6 H6 133.2(3) 2_646 2_646 2_646 no
C10 H6 H7 76.5(5) 2_646 2_646 2_646 no
C10 H6 H7 122.1(5) 2_646 2_646 2_646 no
C10 H6 H8 78.2(5) 2_646 2_646 2_646 no
C10 H6 H8 32.3(5) 2_646 2_646 2_646 no
H2 H6 H3 25.3(5) 3_757 3_757 3_757 no
H2 H6 H4 60.5(5) 3_757 3_757 3_757 no
H2 H6 H5 63.3(9) 3_757 3_757 3_757 no
H2 H6 H6 123.9(5) 3_757 3_757 3_757 no
H2 H6 H7 110.5(8) 3_757 3_757 3_757 no
H2 H6 H7 148.1(6) 3_757 3_757 3_757 no
H2 H6 H8 136.1(7) 3_757 3_757 3_757 no
H2 H6 H8 112.0(8) 3_757 3_757 3_757 no
H3 H6 H4 61.0(4) 2_747 2_747 2_747 no
H3 H6 H5 81.6(9) 2_747 2_747 2_747 no
H3 H6 H6 137.3(4) 2_747 2_747 2_747 no
H3 H6 H7 85.7(7) 2_747 2_747 2_747 no
H3 H6 H7 134.8(6) 2_747 2_747 2_747 no
H3 H6 H8 157.4(7) 2_747 2_747 2_747 no
H3 H6 H8 117.5(7) 2_747 2_747 2_747 no
H4 H6 H5 43.1(11) . . . no
H4 H6 H6 77.3(4) . . . no
H4 H6 H7 104.6(6) . . . no
H4 H6 H7 88.1(5) . . . no
H4 H6 H8 130.6(8) . . . no
H4 H6 H8 166.8(8) . . . no
H5 H6 H6 60.6(9) . . . no
H5 H6 H7 147.3(14) . . . no
H5 H6 H7 98.2(12) . . . no
H5 H6 H8 96.6(12) . . . no
H5 H6 H8 124.6(14) . . . no
H6 H6 H7 115.0(6) 4 4 4 no
H6 H6 H7 44.6(4) 4 4 4 no
H6 H6 H8 55.0(5) 4 4 4 no
H6 H6 H8 101.0(6) 4 4 4 no
H7 H6 H7 70.3(9) . . . no
H7 H6 H8 106.3(7) . . . no
H7 H6 H8 88.0(6) . . . no
H7 H6 H8 67.8(6) 4 4 4 no
H7 H6 H8 99.9(6) 4 4 4 no
H8 H6 H8 46.0(9) 2_656 2_656 2_656 no
CL1 H7 CL2 77.0(5) 2_646 2_646 2_646 no
CL1 H7 O1 141.8(6) 2_646 2_646 2_646 no
CL1 H7 N2 101.4(5) 2_646 2_646 2_646 no
CL1 H7 C1 120.9(5) 2_646 2_646 2_646 no
CL1 H7 C4 79.1(4) 2_646 2_646 2_646 no
CL1 H7 C6 60.1(3) 2_646 2_646 2_646 no
CL1 H7 C7 107.5(7) 2_646 2_646 2_646 no
CL1 H7 C8 106.3(12) 2_646 2_646 2_646 no
CL1 H7 C8 109.2(5) 2_646 2_646 2_646 no
CL1 H7 C8 70.8(4) 2_646 2_646 2_646 no
CL1 H7 C9 100.3(6) 2_646 2_646 2_646 no
CL1 H7 C9 108.2(5) 2_646 2_646 2_646 no
CL1 H7 C9 74.5(4) 2_646 2_646 2_646 no
CL1 H7 C10 104.5(5) 2_646 2_646 2_646 no
CL1 H7 H1 106.3(6) 2_646 2_646 2_646 no
CL1 H7 H2 123.3(7) 2_646 2_646 2_646 no
CL1 H7 H2 139.5(8) 2_646 2_646 2_646 no
CL1 H7 H6 47.6(4) 2_646 2_646 2_646 no
CL1 H7 H6 66.7(4) 2_646 2_646 2_646 no
CL1 H7 H7 70.6(4) 2_646 2_646 2_646 no
CL1 H7 H8 93.0(7) 2_646 2_646 2_646 no
CL1 H7 H8 77.8(5) 2_646 2_646 2_646 no
CL2 H7 O1 83.8(5) . . . no
CL2 H7 N2 80.8(5) . . . no
CL2 H7 C1 73.3(4) . . . no
CL2 H7 C4 71.7(4) . . . no
CL2 H7 C6 83.6(4) . . . no
CL2 H7 C7 115.2(8) . . . no
CL2 H7 C8 151.6(16) . . . no
CL2 H7 C8 128.7(7) . . . no
CL2 H7 C8 68.7(5) . . . no
CL2 H7 C9 173.6(12) . . . no
CL2 H7 C9 150.4(8) . . . no
CL2 H7 C9 89.0(6) . . . no
CL2 H7 C10 171.6(9) . . . no
CL2 H7 H1 29.3(4) . . . no
CL2 H7 H2 58.1(5) . . . no
CL2 H7 H2 65.5(5) . . . no
CL2 H7 H6 85.2(6) . . . no
CL2 H7 H6 97.2(5) . . . no
CL2 H7 H7 60.4(5) . . . no
CL2 H7 H8 150.0(12) . . . no
CL2 H7 H8 102.1(9) . . . no
O1 H7 N2 42.4(3) . . . no
O1 H7 C1 21.0(1) . . . no
O1 H7 C4 63.5(4) . . . no
O1 H7 C6 85.4(5) . . . no
O1 H7 C7 52.6(5) . . . no
O1 H7 C8 76.7(13) . . . no
O1 H7 C8 59.7(4) . . . no
O1 H7 C8 131.4(6) . . . no
O1 H7 C9 101.6(8) . . . no
O1 H7 C9 74.5(5) . . . no
O1 H7 C9 138.4(6) . . . no
O1 H7 C10 90.3(6) . . . no
O1 H7 H1 60.5(3) . . . no
O1 H7 H2 69.2(5) . . . no
O1 H7 H2 50.2(5) . . . no
O1 H7 H6 98.7(7) . . . no
O1 H7 H6 83.6(6) . . . no
O1 H7 H7 126.4(4) . . . no
O1 H7 H8 118.4(9) . . . no
O1 H7 H8 139.1(7) . . . no
N2 H7 C1 24.7(2) . . . no
N2 H7 C4 22.7(2) . . . no
N2 H7 C6 43.0(3) . . . no
N2 H7 C7 34.4(4) . . . no
N2 H7 C8 70.9(13) . . . no
N2 H7 C8 47.9(4) . . . no
N2 H7 C8 149.4(7) . . . no
N2 H7 C9 105.5(10) . . . no
N2 H7 C9 69.6(6) . . . no
N2 H7 C9 169.7(8) . . . no
N2 H7 C10 90.8(7) . . . no
N2 H7 H1 76.0(4) . . . no
N2 H7 H2 103.2(6) . . . no
N2 H7 H2 87.6(7) . . . no
N2 H7 H6 56.3(5) . . . no
N2 H7 H6 43.1(4) . . . no
N2 H7 H7 141.1(5) . . . no
N2 H7 H8 129.2(12) . . . no
N2 H7 H8 176.7(9) . . . no
C1 H7 C4 43.4(3) . . . no
C1 H7 C6 66.7(4) . . . no
C1 H7 C7 48.4(4) . . . no
C1 H7 C8 81.4(13) . . . no
C1 H7 C8 59.8(4) . . . no
C1 H7 C8 136.1(6) . . . no
C1 H7 C9 113.0(9) . . . no
C1 H7 C9 79.6(5) . . . no
C1 H7 C9 151.6(6) . . . no
C1 H7 C10 99.2(7) . . . no
C1 H7 H1 58.1(3) . . . no
C1 H7 H2 79.4(5) . . . no
C1 H7 H2 63.0(5) . . . no
C1 H7 H6 79.8(6) . . . no
C1 H7 H6 67.8(5) . . . no
C1 H7 H7 128.5(4) . . . no
C1 H7 H8 134.1(10) . . . no
C1 H7 H8 157.7(7) . . . no
C4 H7 C6 24.5(2) . . . no
C4 H7 C7 48.0(4) . . . no
C4 H7 C8 81.1(13) . . . no
C4 H7 C8 60.5(4) . . . no
C4 H7 C8 134.3(6) . . . no
C4 H7 C9 113.7(9) . . . no
C4 H7 C9 80.6(5) . . . no
C4 H7 C9 150.2(6) . . . no
C4 H7 C10 100.4(7) . . . no
C4 H7 H1 78.5(4) . . . no
C4 H7 H2 112.8(5) . . . no
C4 H7 H2 102.0(6) . . . no
C4 H7 H6 36.9(4) . . . no
C4 H7 H6 31.4(3) . . . no
C4 H7 H7 127.4(4) . . . no
C4 H7 H8 134.8(10) . . . no
C4 H7 H8 156.9(7) . . . no
C6 H7 C7 52.2(5) . . . no
C6 H7 C8 74.5(12) . . . no
C6 H7 C8 60.5(4) . . . no
C6 H7 C8 127.8(6) . . . no
C6 H7 C9 100.1(8) . . . no
C6 H7 C9 74.9(5) . . . no
C6 H7 C9 134.5(6) . . . no
C6 H7 C10 90.0(6) . . . no
C6 H7 H1 98.9(5) . . . no
C6 H7 H2 135.0(6) . . . no
C6 H7 H2 126.4(7) . . . no
C6 H7 H6 13.2(4) . . . no
C6 H7 H6 14.0(3) . . . no
C6 H7 H7 124.2(4) . . . no
C6 H7 H8 116.1(9) . . . no
C6 H7 H8 135.2(6) . . . no
C7 H7 C8 36.4(9) . . . no
C7 H7 C8 13.5(2) . . . no
C7 H7 C8 175.5(8) . . . no
C7 H7 C9 71.1(8) . . . no
C7 H7 C9 35.2(4) . . . no
C7 H7 C9 155.7(8) . . . no
C7 H7 C10 56.4(5) . . . no
C7 H7 H1 106.5(7) . . . no
C7 H7 H2 121.4(8) . . . no
C7 H7 H2 102.1(9) . . . no
C7 H7 H6 62.0(6) . . . no
C7 H7 H6 41.6(5) . . . no
C7 H7 H7 175.3(5) . . . no
C7 H7 H8 94.7(10) . . . no
C7 H7 H8 142.6(9) . . . no
C8 H7 C8 23.0(9) . . . no
C8 H7 C8 139.5(14) . . . no
C8 H7 C9 34.6(7) . . . no
C8 H7 C9 2.1(9) . . . no
C8 H7 C9 119.3(13) . . . no
C8 H7 C10 20.0(8) . . . no
C8 H7 H1 137.2(15) . . . no
C8 H7 H2 129.9(13) . . . no
C8 H7 H2 113.9(14) . . . no
C8 H7 H6 77.7(12) . . . no
C8 H7 H6 60.6(12) . . . no
C8 H7 H7 147.9(12) . . . no
C8 H7 H8 58.3(11) . . . no
C8 H7 H8 106.2(13) . . . no
C8 H7 C8 162.5(6) 4 4 4 no
C8 H7 C9 57.6(6) 4 4 4 no
C8 H7 C9 21.7(2) 4 4 4 no
C8 H7 C9 142.3(5) 4 4 4 no
C8 H7 C10 42.9(3) 4 4 4 no
C8 H7 H1 117.6(6) 4 4 4 no
C8 H7 H2 125.2(7) 4 4 4 no
C8 H7 H2 106.0(8) 4 4 4 no
C8 H7 H6 68.1(6) 4 4 4 no
C8 H7 H6 48.0(5) 4 4 4 no
C8 H7 H7 170.9(3) 4 4 4 no
C8 H7 H8 81.3(9) 4 4 4 no
C8 H7 H8 129.2(7) 4 4 4 no
C8 H7 C9 105.0(8) 4_545 4_545 4_545 no
C8 H7 C9 140.9(5) 4_545 4_545 4_545 no
C8 H7 C9 20.3(1) 4_545 4_545 4_545 no
C8 H7 C10 119.6(6) 4_545 4_545 4_545 no
C8 H7 H1 78.1(5) 4_545 4_545 4_545 no
C8 H7 H2 62.3(5) 4_545 4_545 4_545 no
C8 H7 H2 81.5(7) 4_545 4_545 4_545 no
C8 H7 H6 117.2(7) 4_545 4_545 4_545 no
C8 H7 H6 137.3(6) 4_545 4_545 4_545 no
C8 H7 H7 8.4(3) 4_545 4_545 4_545 no
C8 H7 H8 81.3(9) 4_545 4_545 4_545 no
C8 H7 H8 33.4(4) 4_545 4_545 4_545 no
C9 H7 C9 35.9(5) . . . no
C9 H7 C9 84.7(6) . . . no
C9 H7 C10 14.7(3) . . . no
C9 H7 H1 152.6(8) . . . no
C9 H7 H2 120.5(7) . . . no
C9 H7 H2 115.3(7) . . . no
C9 H7 H6 97.2(8) . . . no
C9 H7 H6 86.9(7) . . . no
C9 H7 H7 113.3(7) . . . no
C9 H7 H8 23.7(7) . . . no
C9 H7 H8 71.6(7) . . . no
C9 H7 C9 120.6(5) 4 4 4 no
C9 H7 C10 21.2(2) 4 4 4 no
C9 H7 H1 135.1(6) 4 4 4 no
C9 H7 H2 128.1(6) 4 4 4 no
C9 H7 H2 112.0(7) 4 4 4 no
C9 H7 H6 78.5(6) 4 4 4 no
C9 H7 H6 61.0(5) 4 4 4 no
C9 H7 H7 149.2(3) 4 4 4 no
C9 H7 H8 59.6(8) 4 4 4 no
C9 H7 H8 107.5(6) 4 4 4 no
C9 H7 C10 99.4(4) 4_545 4_545 4_545 no
C9 H7 H1 95.8(5) 4_545 4_545 4_545 no
C9 H7 H2 72.3(5) 4_545 4_545 4_545 no
C9 H7 H2 89.6(7) 4_545 4_545 4_545 no
C9 H7 H6 121.6(7) 4_545 4_545 4_545 no
C9 H7 H6 138.0(5) 4_545 4_545 4_545 no
C9 H7 H7 28.6(3) 4_545 4_545 4_545 no
C9 H7 H8 61.0(8) 4_545 4_545 4_545 no
C9 H7 H8 13.1(4) 4_545 4_545 4_545 no
C10 H7 H1 148.3(7) . . . no
C10 H7 H2 125.1(6) . . . no
C10 H7 H2 114.9(7) . . . no
C10 H7 H6 89.8(6) . . . no
C10 H7 H6 76.1(5) . . . no
C10 H7 H7 128.0(4) . . . no
C10 H7 H8 38.3(7) . . . no
C10 H7 H8 86.3(5) . . . no
H1 H7 H2 36.4(5) 2_647 2_647 2_647 no
H1 H7 H2 37.4(5) 2_647 2_647 2_647 no
H1 H7 H6 105.6(6) 2_647 2_647 2_647 no
H1 H7 H6 109.7(5) 2_647 2_647 2_647 no
H1 H7 H7 70.5(4) 2_647 2_647 2_647 no
H1 H7 H8 145.0(10) 2_647 2_647 2_647 no
H1 H7 H8 107.3(7) 2_647 2_647 2_647 no
H2 H7 H2 19.4(7) 2_647 2_647 2_647 no
H2 H7 H6 141.7(7) 2_647 2_647 2_647 no
H2 H7 H6 144.0(6) 2_647 2_647 2_647 no
H2 H7 H7 58.4(5) 2_647 2_647 2_647 no
H2 H7 H8 108.6(8) 2_647 2_647 2_647 no
H2 H7 H8 79.8(6) 2_647 2_647 2_647 no
H2 H7 H6 137.4(7) 3_657 3_657 3_657 no
H2 H7 H6 130.7(8) 3_657 3_657 3_657 no
H2 H7 H7 77.8(6) 3_657 3_657 3_657 no
H2 H7 H8 111.7(8) 3_657 3_657 3_657 no
H2 H7 H8 95.1(7) 3_657 3_657 3_657 no
H6 H7 H6 20.4(6) . . . no
H6 H7 H7 115.0(6) . . . no
H6 H7 H8 109.0(9) . . . no
H6 H7 H8 122.0(7) . . . no
H6 H7 H7 135.4(4) 4 4 4 no
H6 H7 H8 104.7(9) 4 4 4 no
H6 H7 H8 134.2(6) 4 4 4 no
H7 H7 H8 89.7(8) 4_545 4_545 4_545 no
H7 H7 H8 41.7(5) 4_545 4_545 4_545 no
H8 H7 H8 47.9(10) . . . no
CL1 H8 CL1 108.7(6) . . . no
CL1 H8 C6 69.5(4) . . . no
CL1 H8 C7 95.2(7) . . . no
CL1 H8 C8 109.7(11) . . . no
CL1 H8 C8 73.9(6) . . . no
CL1 H8 C8 164.2(8) . . . no
CL1 H8 C8 79.7(4) . . . no
CL1 H8 C9 72.8(13) . . . no
CL1 H8 C9 52.1(5) . . . no
CL1 H8 C9 143.6(7) . . . no
CL1 H8 C9 68.5(4) . . . no
CL1 H8 C9 94.2(5) . . . no
CL1 H8 C10 38.1(4) . . . no
CL1 H8 C10 88.5(5) . . . no
CL1 H8 H6 84.1(5) . . . no
CL1 H8 H6 61.4(5) . . . no
CL1 H8 H7 133.6(12) . . . no
CL1 H8 H7 177.6(9) . . . no
CL1 H8 H8 136.1(5) . . . no
CL1 H8 H8 62.6(6) . . . no
CL1 H8 H8 89.8(8) . . . no
CL1 H8 C6 104.0(6) 2_546 2_546 2_546 no
CL1 H8 C7 100.7(5) 2_546 2_546 2_546 no
CL1 H8 C8 95.2(6) 2_546 2_546 2_546 no
CL1 H8 C8 107.1(5) 2_546 2_546 2_546 no
CL1 H8 C8 68.3(4) 2_546 2_546 2_546 no
CL1 H8 C8 152.8(8) 2_546 2_546 2_546 no
CL1 H8 C9 107.4(13) 2_546 2_546 2_546 no
CL1 H8 C9 111.5(6) 2_546 2_546 2_546 no
CL1 H8 C9 67.3(4) 2_546 2_546 2_546 no
CL1 H8 C9 42.5(2) 2_546 2_546 2_546 no
CL1 H8 C9 154.4(8) 2_546 2_546 2_546 no
CL1 H8 C10 112.6(8) 2_546 2_546 2_546 no
CL1 H8 C10 27.4(2) 2_546 2_546 2_546 no
CL1 H8 H6 98.8(7) 2_546 2_546 2_546 no
CL1 H8 H6 111.8(7) 2_546 2_546 2_546 no
CL1 H8 H7 85.1(7) 2_546 2_546 2_546 no
CL1 H8 H7 70.0(5) 2_546 2_546 2_546 no
CL1 H8 H8 67.7(4) 2_546 2_546 2_546 no
CL1 H8 H8 46.0(5) 2_546 2_546 2_546 no
CL1 H8 H8 161.4(10) 2_546 2_546 2_546 no
C6 H8 C7 154.0(7) 2_646 2_646 2_646 no
C6 H8 C8 160.0(8) 2_646 2_646 2_646 no
C6 H8 C8 137.8(6) 2_646 2_646 2_646 no
C6 H8 C8 95.8(6) 2_646 2_646 2_646 no
C6 H8 C8 53.6(3) 2_646 2_646 2_646 no
C6 H8 C9 136.8(15) 2_646 2_646 2_646 no
C6 H8 C9 118.1(6) 2_646 2_646 2_646 no
C6 H8 C9 76.5(5) 2_646 2_646 2_646 no
C6 H8 C9 77.5(4) 2_646 2_646 2_646 no
C6 H8 C9 72.8(3) 2_646 2_646 2_646 no
C6 H8 C10 105.2(7) 2_646 2_646 2_646 no
C6 H8 C10 79.7(4) 2_646 2_646 2_646 no
C6 H8 H6 14.7(3) 2_646 2_646 2_646 no
C6 H8 H6 10.2(4) 2_646 2_646 2_646 no
C6 H8 H7 151.6(10) 2_646 2_646 2_646 no
C6 H8 H7 108.8(8) 2_646 2_646 2_646 no
C6 H8 H8 69.4(4) 2_646 2_646 2_646 no
C6 H8 H8 87.7(7) 2_646 2_646 2_646 no
C6 H8 H8 84.0(6) 2_646 2_646 2_646 no
C7 H8 C8 14.6(3) . . . no
C7 H8 C8 21.3(2) . . . no
C7 H8 C8 100.7(5) . . . no
C7 H8 C8 104.3(6) . . . no
C7 H8 C9 22.4(9) . . . no
C7 H8 C9 43.1(3) . . . no
C7 H8 C9 121.2(6) . . . no
C7 H8 C9 117.4(6) . . . no
C7 H8 C9 88.1(5) . . . no
C7 H8 C10 57.1(6) . . . no
C7 H8 C10 122.1(5) . . . no
C7 H8 H6 159.6(7) . . . no
C7 H8 H6 144.3(8) . . . no
C7 H8 H7 38.4(7) . . . no
C7 H8 H7 87.1(5) . . . no
C7 H8 H8 128.8(4) . . . no
C7 H8 H8 104.1(9) . . . no
C7 H8 H8 74.9(7) . . . no
C8 H8 C8 35.9(5) . . . no
C8 H8 C8 86.1(6) . . . no
C8 H8 C8 106.5(7) . . . no
C8 H8 C9 37.0(8) . . . no
C8 H8 C9 57.7(6) . . . no
C8 H8 C9 106.6(8) . . . no
C8 H8 C9 121.5(7) . . . no
C8 H8 C9 87.5(6) . . . no
C8 H8 C10 71.7(8) . . . no
C8 H8 C10 120.3(7) . . . no
C8 H8 H6 156.0(9) . . . no
C8 H8 H6 153.0(10) . . . no
C8 H8 H7 23.8(6) . . . no
C8 H8 H7 72.5(7) . . . no
C8 H8 H8 114.2(7) . . . no
C8 H8 H8 110.0(10) . . . no
C8 H8 H8 76.1(8) . . . no
C8 H8 C8 121.9(5) 4 4 4 no
C8 H8 C8 100.1(5) 4 4 4 no
C8 H8 C9 1.1(9) 4 4 4 no
C8 H8 C9 21.8(2) 4 4 4 no
C8 H8 C9 142.5(6) 4 4 4 no
C8 H8 C9 107.9(6) 4 4 4 no
C8 H8 C9 89.9(5) 4 4 4 no
C8 H8 C10 35.8(4) 4 4 4 no
C8 H8 C10 120.0(6) 4 4 4 no
C8 H8 H6 150.2(7) 4 4 4 no
C8 H8 H6 127.6(8) 4 4 4 no
C8 H8 H7 59.7(8) 4 4 4 no
C8 H8 H7 108.3(6) 4 4 4 no
C8 H8 H8 150.0(3) 4 4 4 no
C8 H8 H8 93.7(9) 4 4 4 no
C8 H8 H8 75.6(7) 4 4 4 no
C8 H8 C8 96.4(5) 4_545 4_545 4_545 no
C8 H8 C9 123.0(13) 4_545 4_545 4_545 no
C8 H8 C9 143.7(6) 4_545 4_545 4_545 no
C8 H8 C9 20.6(2) 4_545 4_545 4_545 no
C8 H8 C9 103.5(6) 4_545 4_545 4_545 no
C8 H8 C9 86.5(5) 4_545 4_545 4_545 no
C8 H8 C10 157.7(8) 4_545 4_545 4_545 no
C8 H8 C10 83.0(5) 4_545 4_545 4_545 no
C8 H8 H6 81.1(6) 4_545 4_545 4_545 no
C8 H8 H6 104.6(7) 4_545 4_545 4_545 no
C8 H8 H7 62.2(8) 4_545 4_545 4_545 no
C8 H8 H7 13.6(4) 4_545 4_545 4_545 no
C8 H8 H8 28.1(3) 4_545 4_545 4_545 no
C8 H8 H8 112.6(9) 4_545 4_545 4_545 no
C8 H8 H8 94.4(8) 4_545 4_545 4_545 no
C8 H8 C9 99.8(13) 3_656 3_656 3_656 no
C8 H8 C9 94.2(5) 3_656 3_656 3_656 no
C8 H8 C9 90.4(5) 3_656 3_656 3_656 no
C8 H8 C9 128.7(5) 3_656 3_656 3_656 no
C8 H8 C9 20.91(10) 3_656 3_656 3_656 no
C8 H8 C10 90.2(7) 3_656 3_656 3_656 no
C8 H8 C10 133.0(6) 3_656 3_656 3_656 no
C8 H8 H6 55.4(4) 3_656 3_656 3_656 no
C8 H8 H6 48.4(4) 3_656 3_656 3_656 no
C8 H8 H7 108.2(8) 3_656 3_656 3_656 no
C8 H8 H7 100.6(6) 3_656 3_656 3_656 no
C8 H8 H8 88.1(4) 3_656 3_656 3_656 no
C8 H8 H8 134.3(8) 3_656 3_656 3_656 no
C8 H8 H8 30.4(3) 3_656 3_656 3_656 no
C9 H8 C9 20.7(9) . . . no
C9 H8 C9 143.6(14) . . . no
C9 H8 C9 107.4(14) . . . no
C9 H8 C9 89.9(13) . . . no
C9 H8 C10 34.7(9) . . . no
C9 H8 C10 119.9(14) . . . no
C9 H8 H6 149.4(15) . . . no
C9 H8 H6 126.6(15) . . . no
C9 H8 H7 60.8(12) . . . no
C9 H8 H7 109.4(13) . . . no
C9 H8 H8 151.2(12) . . . no
C9 H8 H8 93.2(16) . . . no
C9 H8 H8 75.6(13) . . . no
C9 H8 C9 164.3(6) 4 4 4 no
C9 H8 C9 96.5(6) 4 4 4 no
C9 H8 C9 91.4(6) 4 4 4 no
C9 H8 C10 14.0(3) 4 4 4 no
C9 H8 C10 113.7(6) 4 4 4 no
C9 H8 H6 132.3(7) 4 4 4 no
C9 H8 H6 108.4(7) 4 4 4 no
C9 H8 H7 81.5(9) 4 4 4 no
C9 H8 H7 130.1(7) 4 4 4 no
C9 H8 H8 171.8(3) 4 4 4 no
C9 H8 H8 82.9(9) 4 4 4 no
C9 H8 H8 78.0(8) 4 4 4 no
C9 H8 C9 92.3(5) 4_545 4_545 4_545 no
C9 H8 C9 87.5(5) 4_545 4_545 4_545 no
C9 H8 C10 178.3(8) 4_545 4_545 4_545 no
C9 H8 C10 72.9(5) 4_545 4_545 4_545 no
C9 H8 H6 61.9(6) 4_545 4_545 4_545 no
C9 H8 H6 85.9(7) 4_545 4_545 4_545 no
C9 H8 H7 82.8(9) 4_545 4_545 4_545 no
C9 H8 H7 34.2(4) 4_545 4_545 4_545 no
C9 H8 H8 7.5(3) 4_545 4_545 4_545 no
C9 H8 H8 104.5(9) 4_545 4_545 4_545 no
C9 H8 H8 99.1(9) 4_545 4_545 4_545 no
C9 H8 C9 149.5(5) 3_556 3_556 3_556 no
C9 H8 C10 88.5(7) 3_556 3_556 3_556 no
C9 H8 C10 20.50(11) 3_556 3_556 3_556 no
C9 H8 H6 81.4(5) 3_556 3_556 3_556 no
C9 H8 H6 80.7(5) 3_556 3_556 3_556 no
C9 H8 H7 123.0(8) 3_556 3_556 3_556 no
C9 H8 H7 109.7(7) 3_556 3_556 3_556 no
C9 H8 H8 88.1(4) 3_556 3_556 3_556 no
C9 H8 H8 14.2(4) 3_556 3_556 3_556 no
C9 H8 H8 155.3(8) 3_556 3_556 3_556 no
C9 H8 C10 92.5(7) 3_656 3_656 3_656 no
C9 H8 C10 149.3(7) 3_656 3_656 3_656 no
C9 H8 H6 71.6(5) 3_656 3_656 3_656 no
C9 H8 H6 68.9(5) 3_656 3_656 3_656 no
C9 H8 H7 87.3(7) 3_656 3_656 3_656 no
C9 H8 H7 86.7(5) 3_656 3_656 3_656 no
C9 H8 H8 88.0(4) 3_656 3_656 3_656 no
C9 H8 H8 154.3(8) 3_656 3_656 3_656 no
C9 H8 H8 14.3(4) 3_656 3_656 3_656 no
C10 H8 C10 107.8(7) . . . no
C10 H8 H6 119.7(8) . . . no
C10 H8 H6 95.7(7) . . . no
C10 H8 H7 95.5(11) . . . no
C10 H8 H7 144.1(9) . . . no
C10 H8 H8 174.1(5) . . . no
C10 H8 H8 76.2(9) . . . no
C10 H8 H8 80.7(9) . . . no
C10 H8 H6 78.3(5) 2_546 2_546 2_546 no
C10 H8 H6 86.0(6) 2_546 2_546 2_546 no
C10 H8 H7 112.6(8) 2_546 2_546 2_546 no
C10 H8 H7 89.6(6) 2_546 2_546 2_546 no
C10 H8 H8 69.6(4) 2_546 2_546 2_546 no
C10 H8 H8 31.6(5) 2_546 2_546 2_546 no
C10 H8 H8 163.0(10) 2_546 2_546 2_546 no
H6 H8 H6 24.0(7) 2_646 2_646 2_646 no
H6 H8 H7 138.9(11) 2_646 2_646 2_646 no
H6 H8 H7 94.1(8) 2_646 2_646 2_646 no
H6 H8 H8 55.0(5) 2_646 2_646 2_646 no
H6 H8 H8 93.8(8) 2_646 2_646 2_646 no
H6 H8 H8 84.7(7) 2_646 2_646 2_646 no
H6 H8 H7 154.0(10) 3_656 3_656 3_656 no
H6 H8 H7 117.1(9) 3_656 3_656 3_656 no
H6 H8 H8 79.0(6) 3_656 3_656 3_656 no
H6 H8 H8 89.1(7) 3_656 3_656 3_656 no
H6 H8 H8 78.4(7) 3_656 3_656 3_656 no
H7 H8 H7 48.6(10) . . . no
H7 H8 H8 90.3(8) . . . no
H7 H8 H8 116.4(10) . . . no
H7 H8 H8 80.4(8) . . . no
H7 H8 H8 41.7(5) 4_545 4_545 4_545 no
H7 H8 H8 116.0(9) 4_545 4_545 4_545 no
H7 H8 H8 91.5(8) 4_545 4_545 4_545 no
H8 H8 H8 101.0(8) 4_545 4_545 4_545 no
H8 H8 H8 100.6(8) 4_545 4_545 4_545 no
H8 H8 H8 152.4(13) 3_556 3_556 3_556 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 C5 3.582(2) . . ?
CL1 C6 3.805(1) . . ?
CL1 C6 3.806(1) . . ?
CL1 C8 3.976(2) . . ?
CL1 C8 3.974(2) . . ?
CL1 C9 2.680(2) . . ?
CL1 C9 2.680(2) . . ?
CL1 C9 3.853(2) . . ?
CL1 C9 3.853(2) . . ?
CL1 C10 1.738(2) . . ?
CL1 H2 3.34(2) . . no
CL1 H2 3.34(2) . . no
CL1 H3 3.35(2) . . no
CL1 H5 3.851(12) . . no
CL1 H5 3.853(12) . . no
CL1 H6 2.97(2) . . no
CL1 H6 2.96(2) . . no
CL1 H7 4.00(2) . . no
CL1 H7 4.00(2) . . no
CL1 H8 2.80(2) . . no
CL1 H8 2.80(2) . . no
CL1 H8 3.46(2) . . no
CL1 H8 3.46(2) . . no
CL2 O1 3.743(2) . . ?
CL2 N1 3.7533(11) . . ?
CL2 N1 3.7542(11) . . ?
CL2 N1 3.010(2) . . ?
CL2 N2 3.4130(9) . . ?
CL2 N2 3.4124(9) . . ?
CL2 C1 3.5494(10) . . ?
CL2 C1 3.5492(10) . . ?
CL2 C1 3.816(2) . . ?
CL2 C2 3.8830(12) . . ?
CL2 C2 3.8844(12) . . ?
CL2 C2 3.853(2) . . ?
CL2 C3 3.7752(12) . . ?
CL2 C3 3.7763(12) . . ?
CL2 C4 3.5429(10) . . ?
CL2 C4 3.5429(10) . . ?
CL2 C5 3.722(2) . . ?
CL2 C5 3.621(2) . . ?
CL2 C7 3.9878(13) . . ?
CL2 C7 3.9862(13) . . ?
CL2 C8 3.569(2) . . ?
CL2 C8 3.567(2) . . ?
CL2 H1 2.11(3) . . no
CL2 H2 3.26(2) . . no
CL2 H2 3.26(2) . . no
CL2 H3 2.75(3) . . no
CL2 H4 3.28(2) . . no
CL2 H6 3.85(2) . . no
CL2 H6 3.85(2) . . no
CL2 H7 2.69(2) . . no
CL2 H7 2.69(2) . . no
O1 C1 1.211(2) . . ?
N1 C1 1.370(2) . . ?
N1 C2 1.343(2) . . ?
N1 H1 0.91(3) . . no
N2 C1 1.389(2) . . ?
N2 C4 1.357(2) . . ?
N2 C7 1.459(2) . . ?
C1 H1 1.97(2) . . no
C2 C3 1.369(3) . . ?
C2 C5 1.488(2) . . ?
C2 H1 1.93(3) . . no
C2 H3 1.99(2) . . no
C2 H4 1.97(2) . . no
C3 C4 1.376(2) . . ?
C3 H4 0.90(2) . . no
C4 C6 1.480(3) . . ?
C5 H2 0.94(2) . . no
C5 H2 0.94(2) . . no
C5 H3 0.87(2) . . no
C6 H5 0.90(3) . . no
C6 H6 0.95(2) . . no
C6 H6 0.95(2) . . no
C7 C8 1.362(2) . . ?
C7 C8 1.362(2) . . ?
C8 C9 1.390(2) . . ?
C8 H7 0.96(2) . . no
C9 C10 1.360(2) . . ?
C9 H8 0.95(2) . . 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
O1 H5 2.34(3) . 1_455 no
O1 H4 2.82(2) . 1_455 no
O1 H2 2.82(2) . 3_657 no
O1 H2 2.82(2) . 2_657 no
O1 C6 3.217(3) . 1_455 no
O1 C3 3.560(2) . 1_455 no
H7 H7 2.66(5) . 4_545 no
H8 H8 2.63(5) . 4_545 no
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
? ? ? ? ? ? ? ? ? ?
