#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/03/4320381.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_4320381
loop_
_publ_author_name
'Makoto Tadokoro'
'Takumasa Shiomi'
'Kiyoshi Isobe'
'Kazuhiro Nakasuji'
_publ_contact_author_address
;
    3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan
;
_publ_contact_author_email       ' tadokoro@sci.osaka-cu.ac.jp '
_publ_contact_author_fax         ' +81-6-6605-2522 '
_publ_contact_author_name        ' Makoto Tadokoro'
_publ_contact_author_phone       ' +81-6-6605-2547'
_publ_section_title
;
 Cesium(I)-Mediated 3-D Superstructures by One-Pot Self-Organization of
 Hydrogen-Bonded Nickel Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5476
_journal_page_last               5478
_journal_paper_doi               10.1021/ic010331s
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C53 H70 Cs N25 Ni2 O'
_chemical_formula_weight         1323.61
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      68
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.422(6)
_cell_length_b                   28.228(5)
_cell_length_c                   16.741(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      13.8
_cell_volume                     12014(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measured_fraction_theta_full 0.9991
_diffrn_measured_fraction_theta_max 0.9991
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.344
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7438
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.05
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.285
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.972
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.33
_refine_ls_extinction_coef       0.00010(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.235
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     349
_refine_ls_number_reflns         2796
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.0011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00063|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0523
_reflns_number_gt                2796
_reflns_number_total             6903
_reflns_threshold_expression     F²>3.0σ(F²)
_cod_data_source_file            ic010331s_1.cif
_cod_data_source_block           master_file_afc7*.xtl
_cod_original_cell_volume        12013(5)
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum        'C53 H70 Cs N25 O Ni2 '
_cod_database_code               4320381
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,1/2+z
1/2+x,1/2-y,1/2+z
-x,1/2-y,z
-x,-y,-z
1/2+x,-y,1/2-z
1/2-x,1/2+y,1/2-z
x,1/2+y,-z
1/2+x,1/2+y,z
-x,1/2+y,1/2+z
x,-y,1/2+z
1/2-x,-y,z
1/2-x,1/2-y,-z
x,1/2-y,1/2-z
-x,y,1/2-z
1/2+x,y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.0000 0.2500 0.50676(5) 0.0621(2) Uani 1.00 d S . .
Ni1 Ni 0.11422(3) 0.13680(3) 0.49338(5) 0.0421(2) Uani 1.00 d . . .
O1 O 0.7694(5) 0.2442(5) 0.2082(8) 0.278(7) Uiso 1.00 d . . .
N1 N 0.1188(2) 0.0630(2) 0.5096(3) 0.049(2) Uani 1.00 d . . .
N2 N 0.1681(2) -0.0018(2) 0.5001(4) 0.051(1) Uani 1.00 d . . .
N3 N 0.1938(2) 0.1244(2) 0.4687(3) 0.048(2) Uani 1.00 d . . .
N4 N 0.2592(2) 0.0713(2) 0.4610(3) 0.053(2) Uani 1.00 d . . .
N5 N 0.1237(2) 0.1541(2) 0.6165(3) 0.045(2) Uani 1.00 d . . .
N6 N 0.0846(3) 0.1643(3) 0.7322(3) 0.070(2) Uani 1.00 d . . .
N7 N 0.0358(2) 0.1369(2) 0.5328(3) 0.040(1) Uani 1.00 d . . .
N8 N -0.0196(2) 0.1477(2) 0.6360(3) 0.062(2) Uani 1.00 d . . .
N9 N 0.0898(2) 0.1333(2) 0.3715(3) 0.042(2) Uani 1.00 d . . .
N10 N 0.0786(2) 0.1732(2) 0.2598(3) 0.055(2) Uani 1.00 d . . .
N11 N 0.1192(2) 0.2081(2) 0.4608(3) 0.042(2) Uani 1.00 d . . .
N12 N 0.1051(2) 0.2623(2) 0.3644(3) 0.059(2) Uani 1.00 d . . .
N13 N 0.2500 0.0000 0.7317(4) 0.056(3) Uani 1.00 d S . .
C1 C 0.0878(3) 0.0243(3) 0.5255(4) 0.055(2) Uani 1.00 d . . .
C2 C 0.1183(3) -0.0151(2) 0.5194(4) 0.061(2) Uani 1.00 d . . .
C3 C 0.2391(3) 0.1472(2) 0.4481(4) 0.057(2) Uani 1.00 d . . .
C4 C 0.2786(3) 0.1154(3) 0.4447(4) 0.058(2) Uani 1.00 d . . .
C5 C 0.1667(2) 0.0460(2) 0.4940(4) 0.041(2) Uani 1.00 d . . .
C6 C 0.2077(3) 0.0793(2) 0.4755(3) 0.040(2) Uani 1.00 d . . .
C7 C 0.1608(3) 0.1650(3) 0.6729(4) 0.062(2) Uani 1.00 d . . .
C8 C 0.1376(3) 0.1706(3) 0.7446(5) 0.076(3) Uani 1.00 d . . .
C9 C -0.0136(2) 0.1308(2) 0.5060(4) 0.051(2) Uani 1.00 d . . .
C10 C -0.0477(3) 0.1369(3) 0.5679(4) 0.061(2) Uani 1.00 d . . .
C11 C 0.0784(3) 0.1545(2) 0.6546(3) 0.044(2) Uani 1.00 d . . .
C12 C 0.0304(2) 0.1460(2) 0.6100(4) 0.043(2) Uani 1.00 d . . .
C13 C 0.0764(3) 0.1029(2) 0.3127(4) 0.056(2) Uani 1.00 d . . .
C14 C 0.0694(3) 0.1266(3) 0.2440(4) 0.064(2) Uani 1.00 d . . .
C15 C 0.1320(3) 0.2517(3) 0.4900(4) 0.053(2) Uani 1.00 d . . .
C16 C 0.1229(3) 0.2846(2) 0.4321(4) 0.056(2) Uani 1.00 d . . .
C17 C 0.0907(3) 0.1758(2) 0.3380(4) 0.044(2) Uani 1.00 d . . .
C18 C 0.1044(2) 0.2167(2) 0.3857(4) 0.041(2) Uani 1.00 d . . .
C19 C 0.2642(3) 0.0418(3) 0.6782(4) 0.060(2) Uani 1.00 d . . .
C20 C 0.2805(3) 0.0869(3) 0.7217(4) 0.072(3) Uani 1.00 d . . .
C21 C 0.3023(3) 0.1214(3) 0.6590(5) 0.082(3) Uani 1.00 d . . .
C22 C 0.2030(4) 0.0137(3) 0.7848(4) 0.068(3) Uani 1.00 d . . .
C23 C 0.1525(4) 0.0260(4) 0.7427(5) 0.089(3) Uani 1.00 d . . .
C24 C 0.1115(4) 0.0403(4) 0.8018(7) 0.111(4) Uani 1.00 d . . .
H1 H 0.0491 0.0240 0.5370 0.0835 Uiso 1.00 calc . . .
H2 H 0.1072 -0.0459 0.5288 0.0748 Uiso 1.00 calc . . .
H3 H 0.2445 0.1776 0.4340 0.0748 Uiso 1.00 calc . . .
H4 H 0.3134 0.1166 0.4329 0.0825 Uiso 1.00 calc . . .
H5 H 0.2010 -0.0223 0.4958 0.0651 Uiso 1.00 calc . . .
H6 H 0.1947 0.1652 0.6634 0.0751 Uiso 1.00 calc . . .
H7 H 0.1525 0.1834 0.7930 0.1026 Uiso 1.00 calc . . .
H8 H -0.0247 0.1215 0.4518 0.0611 Uiso 1.00 calc . . .
H9 H -0.0847 0.1333 0.5752 0.0675 Uiso 1.00 calc . . .
H10 H 0.0558 0.1638 0.7727 0.0825 Uiso 1.00 calc . . .
H11 H 0.0685 0.0699 0.3151 0.0672 Uiso 1.00 calc . . .
H12 H 0.0607 0.1138 0.1928 0.0752 Uiso 1.00 calc . . .
H13 H 0.1432 0.2610 0.5422 0.0636 Uiso 1.00 calc . . .
H14 H 0.1277 0.3167 0.4205 0.0772 Uiso 1.00 calc . . .
H15 H 0.0793 0.2001 0.2226 0.0644 Uiso 1.00 calc . . .
H16 H 0.2929 0.0296 0.6442 0.0722 Uiso 1.00 calc . . .
H17 H 0.2344 0.0452 0.6422 0.0722 Uiso 1.00 calc . . .
H18 H 0.3041 0.0790 0.7614 0.0828 Uiso 1.00 calc . . .
H19 H 0.2478 0.0983 0.7470 0.0828 Uiso 1.00 calc . . .
H20 H 0.3306 0.1092 0.6424 0.1082 Uiso 1.00 calc . . .
H21 H 0.2741 0.1277 0.6263 0.1082 Uiso 1.00 calc . . .
H22 H 0.3074 0.1494 0.6948 0.1082 Uiso 1.00 calc . . .
H23 H 0.1993 -0.0123 0.8218 0.0753 Uiso 1.00 calc . . .
H24 H 0.2159 0.0405 0.8162 0.0753 Uiso 1.00 calc . . .
H25 H 0.1440 -0.0027 0.7141 0.0989 Uiso 1.00 calc . . .
H26 H 0.1617 0.0496 0.7056 0.0989 Uiso 1.00 calc . . .
H27 H 0.1057 0.0154 0.8361 0.1371 Uiso 1.00 calc . . .
H28 H 0.1219 0.0680 0.8247 0.1371 Uiso 1.00 calc . . .
H29 H 0.0807 0.0452 0.7682 0.1371 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ni Ni 0.339 1.112
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cs Cs -0.368 2.119
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N7 CS1 N7 165.1(2) . 1_555 4_555 yes
N7 CS1 N8 37.3(1) . 1_555 1_555 yes
N7 CS1 N8 129.9(1) . 1_555 4_555 yes
N7 CS1 N11 56.4(1) . 1_555 1_555 yes
N7 CS1 N11 127.9(1) . 1_555 4_555 yes
N7 CS1 N12 88.6(1) . 1_555 1_555 yes
N7 CS1 N12 101.3(1) . 1_555 4_555 yes
N7 CS1 C9 23.0(1) . 1_555 1_555 yes
N7 CS1 C9 157.1(1) . 1_555 4_555 yes
N7 CS1 C10 37.0(1) . 1_555 1_555 yes
N7 CS1 C10 136.4(1) . 1_555 4_555 yes
N7 CS1 C12 22.2(1) . 1_555 1_555 yes
N7 CS1 C12 142.8(1) . 1_555 4_555 yes
N7 CS1 C15 75.7(1) . 1_555 1_555 yes
N7 CS1 C15 105.6(1) . 1_555 4_555 yes
N7 CS1 C16 94.0(1) . 1_555 1_555 yes
N7 CS1 C16 91.3(1) . 1_555 4_555 yes
N7 CS1 C18 67.0(1) . 1_555 1_555 yes
N7 CS1 C18 122.8(1) . 1_555 4_555 yes
N7 CS1 N8 129.9(1) . 4_555 1_555 yes
N7 CS1 N8 37.3(1) . 4_555 4_555 yes
N7 CS1 N11 127.9(1) . 4_555 1_555 yes
N7 CS1 N11 56.4(1) . 4_555 4_555 yes
N7 CS1 N12 101.3(1) . 4_555 1_555 yes
N7 CS1 N12 88.6(1) . 4_555 4_555 yes
N7 CS1 C9 157.1(1) . 4_555 1_555 yes
N7 CS1 C9 23.0(1) . 4_555 4_555 yes
N7 CS1 C10 136.4(1) . 4_555 1_555 yes
N7 CS1 C10 37.0(1) . 4_555 4_555 yes
N7 CS1 C12 142.8(1) . 4_555 1_555 yes
N7 CS1 C12 22.2(1) . 4_555 4_555 yes
N7 CS1 C15 105.6(1) . 4_555 1_555 yes
N7 CS1 C15 75.7(1) . 4_555 4_555 yes
N7 CS1 C16 91.3(1) . 4_555 1_555 yes
N7 CS1 C16 94.0(1) . 4_555 4_555 yes
N7 CS1 C18 122.8(1) . 4_555 1_555 yes
N7 CS1 C18 67.0(1) . 4_555 4_555 yes
N8 CS1 N8 107.1(2) . 1_555 4_555 yes
N8 CS1 N11 88.9(1) . 1_555 1_555 yes
N8 CS1 N11 107.1(1) . 1_555 4_555 yes
N8 CS1 N12 124.8(1) . 1_555 1_555 yes
N8 CS1 N12 102.5(1) . 1_555 4_555 yes
N8 CS1 C9 36.8(2) . 1_555 1_555 yes
N8 CS1 C9 143.6(2) . 1_555 4_555 yes
N8 CS1 C10 22.0(1) . 1_555 1_555 yes
N8 CS1 C10 125.8(2) . 1_555 4_555 yes
N8 CS1 C12 21.6(1) . 1_555 1_555 yes
N8 CS1 C12 110.0(1) . 1_555 4_555 yes
N8 CS1 C15 101.3(2) . 1_555 1_555 yes
N8 CS1 C15 84.4(1) . 1_555 4_555 yes
N8 CS1 C16 123.7(1) . 1_555 1_555 yes
N8 CS1 C16 82.5(1) . 1_555 4_555 yes
N8 CS1 C18 103.7(1) . 1_555 1_555 yes
N8 CS1 C18 117.2(1) . 1_555 4_555 yes
N8 CS1 N11 107.1(1) . 4_555 1_555 yes
N8 CS1 N11 88.9(1) . 4_555 4_555 yes
N8 CS1 N12 102.5(1) . 4_555 1_555 yes
N8 CS1 N12 124.8(1) . 4_555 4_555 yes
N8 CS1 C9 143.6(2) . 4_555 1_555 yes
N8 CS1 C9 36.8(2) . 4_555 4_555 yes
N8 CS1 C10 125.8(2) . 4_555 1_555 yes
N8 CS1 C10 22.0(1) . 4_555 4_555 yes
N8 CS1 C12 110.0(1) . 4_555 1_555 yes
N8 CS1 C12 21.6(1) . 4_555 4_555 yes
N8 CS1 C15 84.4(1) . 4_555 1_555 yes
N8 CS1 C15 101.3(2) . 4_555 4_555 yes
N8 CS1 C16 82.5(1) . 4_555 1_555 yes
N8 CS1 C16 123.7(1) . 4_555 4_555 yes
N8 CS1 C18 117.2(1) . 4_555 1_555 yes
N8 CS1 C18 103.7(1) . 4_555 4_555 yes
N11 CS1 N11 153.4(2) . 1_555 4_555 yes
N11 CS1 N12 37.7(1) . 1_555 1_555 yes
N11 CS1 N12 119.1(1) . 1_555 4_555 yes
N11 CS1 C9 74.9(1) . 1_555 1_555 yes
N11 CS1 C9 105.0(1) . 1_555 4_555 yes
N11 CS1 C10 93.3(1) . 1_555 1_555 yes
N11 CS1 C10 94.3(1) . 1_555 4_555 yes
N11 CS1 C12 67.4(1) . 1_555 1_555 yes
N11 CS1 C12 127.7(1) . 1_555 4_555 yes
N11 CS1 C15 23.4(1) . 1_555 1_555 yes
N11 CS1 C15 151.6(1) . 1_555 4_555 yes
N11 CS1 C16 37.7(1) . 1_555 1_555 yes
N11 CS1 C16 128.9(1) . 1_555 4_555 yes
N11 CS1 C18 22.5(1) . 1_555 1_555 yes
N11 CS1 C18 130.9(1) . 1_555 4_555 yes
N11 CS1 N12 119.1(1) . 4_555 1_555 yes
N11 CS1 N12 37.7(1) . 4_555 4_555 yes
N11 CS1 C9 105.0(1) . 4_555 1_555 yes
N11 CS1 C9 74.9(1) . 4_555 4_555 yes
N11 CS1 C10 94.3(1) . 4_555 1_555 yes
N11 CS1 C10 93.3(1) . 4_555 4_555 yes
N11 CS1 C12 127.7(1) . 4_555 1_555 yes
N11 CS1 C12 67.4(1) . 4_555 4_555 yes
N11 CS1 C15 151.6(1) . 4_555 1_555 yes
N11 CS1 C15 23.4(1) . 4_555 4_555 yes
N11 CS1 C16 128.9(1) . 4_555 1_555 yes
N11 CS1 C16 37.7(1) . 4_555 4_555 yes
N11 CS1 C18 130.9(1) . 4_555 1_555 yes
N11 CS1 C18 22.5(1) . 4_555 4_555 yes
N12 CS1 N12 97.0(2) . 1_555 4_555 yes
N12 CS1 C9 99.7(1) . 1_555 1_555 yes
N12 CS1 C9 80.0(1) . 1_555 4_555 yes
N12 CS1 C10 121.9(1) . 1_555 1_555 yes
N12 CS1 C10 81.5(1) . 1_555 4_555 yes
N12 CS1 C12 104.2(1) . 1_555 1_555 yes
N12 CS1 C12 114.3(1) . 1_555 4_555 yes
N12 CS1 C15 37.2(2) . 1_555 1_555 yes
N12 CS1 C15 133.3(2) . 1_555 4_555 yes
N12 CS1 C16 22.3(1) . 1_555 1_555 yes
N12 CS1 C16 116.9(2) . 1_555 4_555 yes
N12 CS1 C18 21.7(1) . 1_555 1_555 yes
N12 CS1 C18 98.9(1) . 1_555 4_555 yes
N12 CS1 C9 80.0(1) . 4_555 1_555 yes
N12 CS1 C9 99.7(1) . 4_555 4_555 yes
N12 CS1 C10 81.5(1) . 4_555 1_555 yes
N12 CS1 C10 121.9(1) . 4_555 4_555 yes
N12 CS1 C12 114.3(1) . 4_555 1_555 yes
N12 CS1 C12 104.2(1) . 4_555 4_555 yes
N12 CS1 C15 133.3(2) . 4_555 1_555 yes
N12 CS1 C15 37.2(2) . 4_555 4_555 yes
N12 CS1 C16 116.9(2) . 4_555 1_555 yes
N12 CS1 C16 22.3(1) . 4_555 4_555 yes
N12 CS1 C18 98.9(1) . 4_555 1_555 yes
N12 CS1 C18 21.7(1) . 4_555 4_555 yes
C9 CS1 C9 179.6(2) . 1_555 4_555 yes
C9 CS1 C10 22.4(2) . 1_555 1_555 yes
C9 CS1 C10 157.9(2) . 1_555 4_555 yes
C9 CS1 C12 35.7(2) . 1_555 1_555 yes
C9 CS1 C12 144.6(2) . 1_555 4_555 yes
C9 CS1 C15 96.6(2) . 1_555 1_555 yes
C9 CS1 C15 83.4(2) . 1_555 4_555 yes
C9 CS1 C16 111.5(2) . 1_555 1_555 yes
C9 CS1 C16 68.3(2) . 1_555 4_555 yes
C9 CS1 C18 78.8(2) . 1_555 1_555 yes
C9 CS1 C18 100.9(2) . 1_555 4_555 yes
C9 CS1 C10 157.9(2) . 4_555 1_555 yes
C9 CS1 C10 22.4(2) . 4_555 4_555 yes
C9 CS1 C12 144.6(2) . 4_555 1_555 yes
C9 CS1 C12 35.7(2) . 4_555 4_555 yes
C9 CS1 C15 83.4(2) . 4_555 1_555 yes
C9 CS1 C15 96.6(2) . 4_555 4_555 yes
C9 CS1 C16 68.3(2) . 4_555 1_555 yes
C9 CS1 C16 111.5(2) . 4_555 4_555 yes
C9 CS1 C18 100.9(2) . 4_555 1_555 yes
C9 CS1 C18 78.8(2) . 4_555 4_555 yes
C10 CS1 C10 146.6(2) . 1_555 4_555 yes
C10 CS1 C12 35.0(2) . 1_555 1_555 yes
C10 CS1 C12 122.4(2) . 1_555 4_555 yes
C10 CS1 C15 112.0(2) . 1_555 1_555 yes
C10 CS1 C15 70.9(2) . 1_555 4_555 yes
C10 CS1 C16 130.9(2) . 1_555 1_555 yes
C10 CS1 C16 63.2(2) . 1_555 4_555 yes
C10 CS1 C18 100.7(2) . 1_555 1_555 yes
C10 CS1 C18 98.6(2) . 1_555 4_555 yes
C10 CS1 C12 122.4(2) . 4_555 1_555 yes
C10 CS1 C12 35.0(2) . 4_555 4_555 yes
C10 CS1 C15 70.9(2) . 4_555 1_555 yes
C10 CS1 C15 112.0(2) . 4_555 4_555 yes
C10 CS1 C16 63.2(2) . 4_555 1_555 yes
C10 CS1 C16 130.9(2) . 4_555 4_555 yes
C10 CS1 C18 98.6(2) . 4_555 1_555 yes
C10 CS1 C18 100.7(2) . 4_555 4_555 yes
C12 CS1 C12 120.7(2) . 1_555 4_555 yes
C12 CS1 C15 80.4(2) . 1_555 1_555 yes
C12 CS1 C15 104.5(2) . 1_555 4_555 yes
C12 CS1 C16 102.3(2) . 1_555 1_555 yes
C12 CS1 C16 98.0(2) . 1_555 4_555 yes
C12 CS1 C18 83.8(1) . 1_555 1_555 yes
C12 CS1 C18 133.3(1) . 1_555 4_555 yes
C12 CS1 C15 104.5(2) . 4_555 1_555 yes
C12 CS1 C15 80.4(2) . 4_555 4_555 yes
C12 CS1 C16 98.0(2) . 4_555 1_555 yes
C12 CS1 C16 102.3(2) . 4_555 4_555 yes
C12 CS1 C18 133.3(1) . 4_555 1_555 yes
C12 CS1 C18 83.8(1) . 4_555 4_555 yes
C15 CS1 C15 170.5(2) . 1_555 4_555 yes
C15 CS1 C16 22.8(1) . 1_555 1_555 yes
C15 CS1 C16 149.6(2) . 1_555 4_555 yes
C15 CS1 C18 36.2(2) . 1_555 1_555 yes
C15 CS1 C18 135.2(2) . 1_555 4_555 yes
C15 CS1 C16 149.6(2) . 4_555 1_555 yes
C15 CS1 C16 22.8(1) . 4_555 4_555 yes
C15 CS1 C18 135.2(2) . 4_555 1_555 yes
C15 CS1 C18 36.2(2) . 4_555 4_555 yes
C16 CS1 C16 138.2(2) . 1_555 4_555 yes
C16 CS1 C18 35.4(2) . 1_555 1_555 yes
C16 CS1 C18 113.5(2) . 1_555 4_555 yes
C16 CS1 C18 113.5(2) . 4_555 1_555 yes
C16 CS1 C18 35.4(2) . 4_555 4_555 yes
C18 CS1 C18 108.5(2) . 1_555 4_555 yes
N1 NI1 N3 78.8(2) . 1_555 1_555 yes
N1 NI1 N5 95.5(2) . 1_555 1_555 yes
N1 NI1 N7 90.7(2) . 1_555 1_555 yes
N1 NI1 N9 95.4(2) . 1_555 1_555 yes
N1 NI1 N11 169.8(2) . 1_555 1_555 yes
N3 NI1 N5 96.9(2) . 1_555 1_555 yes
N3 NI1 N7 168.3(2) . 1_555 1_555 yes
N3 NI1 N9 94.9(2) . 1_555 1_555 yes
N3 NI1 N11 93.0(2) . 1_555 1_555 yes
N5 NI1 N7 78.7(2) . 1_555 1_555 yes
N5 NI1 N9 165.3(2) . 1_555 1_555 yes
N5 NI1 N11 91.4(2) . 1_555 1_555 yes
N7 NI1 N9 91.4(2) . 1_555 1_555 yes
N7 NI1 N11 97.9(2) . 1_555 1_555 yes
N9 NI1 N11 79.2(2) . 1_555 1_555 yes
NI1 N1 C1 141.4(4) . 1_555 1_555 yes
NI1 N1 C5 112.5(4) . 1_555 1_555 yes
C1 N1 C5 105.9(5) . 1_555 1_555 yes
C2 N2 C5 105.6(5) . 1_555 1_555 yes
C2 N2 H5 128.6 . 1_555 1_555 no
C5 N2 H5 125.7 . 1_555 1_555 no
NI1 N3 C3 141.8(4) . 1_555 1_555 yes
NI1 N3 C6 113.6(4) . 1_555 1_555 yes
C3 N3 C6 104.6(6) . 1_555 1_555 yes
C4 N4 C6 103.5(5) . 1_555 1_555 yes
NI1 N5 C7 142.7(5) . 1_555 1_555 yes
NI1 N5 C11 111.8(4) . 1_555 1_555 yes
C7 N5 C11 105.4(5) . 1_555 1_555 yes
C8 N6 C11 106.9(6) . 1_555 1_555 yes
C8 N6 H10 128.2 . 1_555 1_555 no
C11 N6 H10 124.7 . 1_555 1_555 no
CS1 N7 NI1 102.6(2) . 1_555 1_555 yes
CS1 N7 C9 79.9(3) . 1_555 1_555 yes
CS1 N7 C12 85.1(4) . 1_555 1_555 yes
NI1 N7 C9 141.4(4) . 1_555 1_555 yes
NI1 N7 C12 114.0(4) . 1_555 1_555 yes
C9 N7 C12 104.6(5) . 1_555 1_555 yes
CS1 N8 C10 75.8(4) . 1_555 1_555 yes
CS1 N8 C12 73.0(4) . 1_555 1_555 yes
C10 N8 C12 102.4(5) . 1_555 1_555 yes
NI1 N9 C13 143.1(5) . 1_555 1_555 yes
NI1 N9 C17 111.0(4) . 1_555 1_555 yes
C13 N9 C17 105.7(5) . 1_555 1_555 yes
C14 N10 C17 106.2(6) . 1_555 1_555 yes
C14 N10 H15 128.8 . 1_555 1_555 no
C17 N10 H15 124.8 . 1_555 1_555 no
CS1 N11 NI1 103.1(2) . 1_555 1_555 yes
CS1 N11 C15 79.3(3) . 1_555 1_555 yes
CS1 N11 C18 84.1(3) . 1_555 1_555 yes
NI1 N11 C15 142.2(5) . 1_555 1_555 yes
NI1 N11 C18 113.8(4) . 1_555 1_555 yes
C15 N11 C18 104.0(5) . 1_555 1_555 yes
CS1 N12 C16 75.0(4) . 1_555 1_555 yes
CS1 N12 C18 73.8(3) . 1_555 1_555 yes
C16 N12 C18 103.0(5) . 1_555 1_555 yes
C19 N13 C19 108.0(7) . 1_555 12_555 yes
C19 N13 C22 109.2(4) . 1_555 1_555 yes
C19 N13 C22 110.5(4) . 1_555 12_555 yes
C19 N13 C22 110.5(4) . 12_555 1_555 yes
C19 N13 C22 109.2(4) . 12_555 12_555 yes
C22 N13 C22 109.4(8) . 1_555 12_555 yes
N1 C1 C2 108.1(6) . 1_555 1_555 yes
N1 C1 H1 127.4 . 1_555 1_555 no
C2 C1 H1 124.5 . 1_555 1_555 no
N2 C2 C1 108.8(6) . 1_555 1_555 yes
N2 C2 H2 125.6 . 1_555 1_555 no
C1 C2 H2 125.5 . 1_555 1_555 no
N3 C3 C4 108.9(6) . 1_555 1_555 yes
N3 C3 H3 130.3 . 1_555 1_555 no
C4 C3 H3 120.6 . 1_555 1_555 no
N4 C4 C3 109.2(6) . 1_555 1_555 yes
N4 C4 H4 115.5 . 1_555 1_555 no
C3 C4 H4 135.3 . 1_555 1_555 no
N1 C5 N2 111.7(5) . 1_555 1_555 yes
N1 C5 C6 117.8(6) . 1_555 1_555 yes
N2 C5 C6 130.5(6) . 1_555 1_555 yes
N3 C6 N4 113.8(6) . 1_555 1_555 yes
N3 C6 C5 117.1(6) . 1_555 1_555 yes
N4 C6 C5 129.1(6) . 1_555 1_555 yes
N5 C7 C8 109.9(6) . 1_555 1_555 yes
N5 C7 H6 123.7 . 1_555 1_555 no
C8 C7 H6 126.2 . 1_555 1_555 no
N6 C8 C7 106.1(6) . 1_555 1_555 yes
N6 C8 H7 124.0 . 1_555 1_555 no
C7 C8 H7 128.5 . 1_555 1_555 no
CS1 C9 N7 77.1(4) . 1_555 1_555 yes
CS1 C9 C10 86.4(4) . 1_555 1_555 yes
CS1 C9 H8 107.3 . 1_555 1_555 no
N7 C9 C10 109.0(6) . 1_555 1_555 yes
N7 C9 H8 127.5 . 1_555 1_555 no
C10 C9 H8 123.4 . 1_555 1_555 no
CS1 C10 N8 82.2(4) . 1_555 1_555 yes
CS1 C10 C9 71.2(4) . 1_555 1_555 yes
CS1 C10 H9 117.9 . 1_555 1_555 no
N8 C10 C9 109.0(6) . 1_555 1_555 yes
N8 C10 H9 115.4 . 1_555 1_555 no
C9 C10 H9 135.4 . 1_555 1_555 no
N5 C11 N6 111.6(6) . 1_555 1_555 yes
N5 C11 C12 119.0(6) . 1_555 1_555 yes
N6 C11 C12 129.4(6) . 1_555 1_555 yes
CS1 C12 N7 72.7(3) . 1_555 1_555 yes
CS1 C12 N8 85.5(4) . 1_555 1_555 yes
CS1 C12 C11 107.6(4) . 1_555 1_555 yes
N7 C12 N8 115.0(6) . 1_555 1_555 yes
N7 C12 C11 116.5(5) . 1_555 1_555 yes
N8 C12 C11 128.5(6) . 1_555 1_555 yes
N9 C13 C14 109.9(6) . 1_555 1_555 yes
N9 C13 H11 129.9 . 1_555 1_555 no
C14 C13 H11 119.8 . 1_555 1_555 no
N10 C14 C13 107.1(6) . 1_555 1_555 yes
N10 C14 H12 125.4 . 1_555 1_555 no
C13 C14 H12 127.5 . 1_555 1_555 no
CS1 C15 N11 77.2(3) . 1_555 1_555 yes
CS1 C15 C16 84.2(4) . 1_555 1_555 yes
CS1 C15 H13 102.9 . 1_555 1_555 no
N11 C15 C16 108.6(6) . 1_555 1_555 yes
N11 C15 H13 130.4 . 1_555 1_555 no
C16 C15 H13 120.9 . 1_555 1_555 no
CS1 C16 N12 82.7(4) . 1_555 1_555 yes
CS1 C16 C15 73.0(4) . 1_555 1_555 yes
CS1 C16 H14 117.5 . 1_555 1_555 no
N12 C16 C15 109.3(6) . 1_555 1_555 yes
N12 C16 H14 108.4 . 1_555 1_555 no
C15 C16 H14 141.9 . 1_555 1_555 no
N9 C17 N10 111.0(6) . 1_555 1_555 yes
N9 C17 C18 119.5(6) . 1_555 1_555 yes
N10 C17 C18 129.4(6) . 1_555 1_555 yes
CS1 C18 N11 73.4(3) . 1_555 1_555 yes
CS1 C18 N12 84.5(4) . 1_555 1_555 yes
CS1 C18 C17 110.7(4) . 1_555 1_555 yes
N11 C18 N12 115.1(6) . 1_555 1_555 yes
N11 C18 C17 116.3(6) . 1_555 1_555 yes
N12 C18 C17 128.6(6) . 1_555 1_555 yes
N13 C19 C20 115.5(6) . 1_555 1_555 yes
N13 C19 H16 104.1 . 1_555 1_555 no
N13 C19 H17 104.8 . 1_555 1_555 no
C20 C19 H16 111.5 . 1_555 1_555 no
C20 C19 H17 115.1 . 1_555 1_555 no
H16 C19 H17 104.6 . 1_555 1_555 no
C19 C20 C21 107.5(7) . 1_555 1_555 yes
C19 C20 H18 108.6 . 1_555 1_555 no
C19 C20 H19 104.5 . 1_555 1_555 no
C21 C20 H18 114.2 . 1_555 1_555 no
C21 C20 H19 113.0 . 1_555 1_555 no
H18 C20 H19 108.6 . 1_555 1_555 no
C20 C21 H20 106.0 . 1_555 1_555 no
C20 C21 H21 104.4 . 1_555 1_555 no
C20 C21 H22 98.0 . 1_555 1_555 no
H20 C21 H21 123.2 . 1_555 1_555 no
H20 C21 H22 114.1 . 1_555 1_555 no
H21 C21 H22 107.6 . 1_555 1_555 no
N13 C22 C23 116.7(6) . 1_555 1_555 yes
N13 C22 H23 104.9 . 1_555 1_555 no
N13 C22 H24 104.1 . 1_555 1_555 no
C23 C22 H23 113.1 . 1_555 1_555 no
C23 C22 H24 111.1 . 1_555 1_555 no
H23 C22 H24 105.9 . 1_555 1_555 no
C22 C23 C24 110.3(8) . 1_555 1_555 yes
C22 C23 H25 103.3 . 1_555 1_555 no
C22 C23 H26 105.1 . 1_555 1_555 no
C24 C23 H25 113.6 . 1_555 1_555 no
C24 C23 H26 114.6 . 1_555 1_555 no
H25 C23 H26 109.0 . 1_555 1_555 no
C23 C24 H27 108.5 . 1_555 1_555 no
C23 C24 H28 108.0 . 1_555 1_555 no
C23 C24 H29 102.6 . 1_555 1_555 no
H27 C24 H28 116.1 . 1_555 1_555 no
H27 C24 H29 109.9 . 1_555 1_555 no
H28 C24 H29 110.8 . 1_555 1_555 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
CS1 N7 3.348(5) . . yes
CS1 N7 3.348(5) . 4_555 yes
CS1 N8 3.643(6) . . yes
CS1 N8 3.643(6) . 4_555 yes
CS1 N11 3.342(5) . . yes
CS1 N11 3.342(5) . 4_555 yes
CS1 N12 3.597(6) . . yes
CS1 N12 3.597(6) . 4_555 yes
CS1 C9 3.381(7) . . yes
CS1 C9 3.381(7) . 4_555 yes
CS1 C10 3.565(7) . . yes
CS1 C10 3.565(7) . 4_555 yes
CS1 C12 3.494(6) . . yes
CS1 C12 3.494(6) . 4_555 yes
CS1 C15 3.368(6) . . yes
CS1 C15 3.368(6) . 4_555 yes
CS1 C16 3.503(7) . . yes
CS1 C16 3.503(7) . 4_555 yes
CS1 C18 3.469(6) . . yes
CS1 C18 3.469(6) . 4_555 yes
NI1 N1 2.103(5) . . yes
NI1 N3 2.095(5) . . yes
NI1 N5 2.131(5) . . yes
NI1 N7 2.099(5) . . yes
NI1 N9 2.135(5) . . yes
NI1 N11 2.089(5) . . yes
O1 O1 1.44(2) . 14_555 yes
N1 C1 1.373(8) . . yes
N1 C5 1.336(7) . . yes
N2 C2 1.361(9) . . yes
N2 C5 1.352(7) . . yes
N2 H5 1.019 . . no
N3 C3 1.364(8) . . yes
N3 C6 1.324(7) . . yes
N4 C4 1.367(8) . . yes
N4 C6 1.352(8) . . yes
N5 C7 1.370(8) . . yes
N5 C11 1.318(7) . . yes
N6 C8 1.375(9) . . yes
N6 C11 1.337(7) . . yes
N6 H10 0.998 . . no
N7 C9 1.344(8) . . yes
N7 C12 1.326(7) . . yes
N8 C10 1.380(8) . . yes
N8 C12 1.343(7) . . yes
N9 C13 1.350(8) . . yes
N9 C17 1.324(7) . . yes
N10 C14 1.361(8) . . yes
N10 C17 1.347(8) . . yes
N10 H15 0.981 . . no
N11 C15 1.363(8) . . yes
N11 C18 1.334(7) . . yes
N12 C16 1.373(8) . . yes
N12 C18 1.335(8) . . yes
N13 C19 1.524(8) . . yes
N13 C19 1.524(8) . 12_555 yes
N13 C22 1.539(8) . . yes
N13 C22 1.539(8) . 12_555 yes
C1 C2 1.360(9) . . yes
C1 H1 1.003 . . no
C2 H2 0.926 . . no
C3 C4 1.350(9) . . yes
C3 H3 0.901 . . no
C4 H4 0.907 . . no
C5 C6 1.438(9) . . yes
C7 C8 1.347(10) . . yes
C7 H6 0.877 . . no
C8 H7 0.963 . . no
C9 C10 1.362(9) . . yes
C9 H8 0.988 . . no
C10 H9 0.954 . . no
C11 C12 1.451(9) . . yes
C13 C14 1.342(9) . . yes
C13 H11 0.954 . . no
C14 H12 0.957 . . no
C15 C16 1.363(9) . . yes
C15 H13 0.956 . . no
C16 H14 0.934 . . no
C17 C18 1.447(8) . . yes
C19 C20 1.524(10) . . yes
C19 H16 0.986 . . no
C19 H17 0.974 . . no
C20 C21 1.54(1) . . yes
C20 H18 0.924 . . no
C20 H19 0.987 . . no
C21 H20 0.844 . . no
C21 H21 0.919 . . no
C21 H22 1.002 . . no
C22 C23 1.51(1) . . yes
C22 H23 0.964 . . no
C22 H24 0.979 . . no
C23 C24 1.49(1) . . yes
C23 H25 0.964 . . no
C23 H26 0.942 . . no
C24 H27 0.919 . . no
C24 H28 0.910 . . no
C24 H29 0.975 . . 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
CS1 N7 3.348(5) . . ?
CS1 N7 3.348(5) . 4_555 ?
CS1 N11 3.342(5) . . ?
CS1 N11 3.342(5) . 4_555 ?
CS1 N12 3.597(6) . . ?
CS1 N12 3.597(6) . 4_555 ?
CS1 C9 3.381(7) . . ?
CS1 C9 3.381(7) . 4_555 ?
CS1 C10 3.565(7) . . ?
CS1 C10 3.565(7) . 4_555 ?
CS1 C12 3.494(6) . . ?
CS1 C12 3.494(6) . 4_555 ?
CS1 C15 3.368(6) . . ?
CS1 C15 3.368(6) . 4_555 ?
CS1 C16 3.503(7) . . ?
CS1 C16 3.503(7) . 4_555 ?
CS1 C18 3.469(6) . . ?
CS1 C18 3.469(6) . 4_555 ?
CS1 N11 3.342(5) . . ?
CS1 N11 3.342(5) . 4_555 ?
CS1 N7 3.348(5) . . ?
CS1 N7 3.348(5) . 4_555 ?
CS1 C15 3.368(6) . . ?
CS1 C15 3.368(6) . 4_555 ?
CS1 C9 3.381(7) . . ?
CS1 C9 3.381(7) . 4_555 ?
CS1 C18 3.469(6) . . ?
CS1 C18 3.469(6) . 4_555 ?
CS1 C12 3.494(6) . . ?
CS1 C12 3.494(6) . 4_555 ?
CS1 C16 3.503(7) . . ?
CS1 C16 3.503(7) . 4_555 ?
CS1 C10 3.565(7) . . ?
CS1 C10 3.565(7) . 4_555 ?
CS1 N12 3.597(6) . . ?
CS1 N12 3.597(6) . 4_555 ?
O1 N12 3.45(1) . 15_655 ?
N2 N4 2.773(7) . 12_555 ?
N4 C22 3.503(9) . 2_554 ?
N6 N8 2.797(8) . 15_556 ?
N6 C10 3.561(9) . 15_556 ?
N10 N12 2.845(7) . 14_555 ?
C14 C14 3.54(2) . 15_555 ?
C14 C21 3.56(1) . 2_554 ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
CS1 N7 NI1 N1 -175.7(2) 1_555 1_555 1_555 1_555 yes
CS1 N7 NI1 N3 157.3(9) 1_555 1_555 1_555 1_555 yes
CS1 N7 NI1 N5 88.9(2) 1_555 1_555 1_555 1_555 yes
CS1 N7 NI1 N9 -80.3(2) 1_555 1_555 1_555 1_555 yes
CS1 N7 NI1 N11 -1.0(2) 1_555 1_555 1_555 1_555 yes
CS1 N7 C9 C10 -81.5(5) 1_555 1_555 1_555 1_555 yes
CS1 N7 C12 N8 76.3(6) 1_555 1_555 1_555 1_555 yes
CS1 N7 C12 C11 -101.4(6) 1_555 1_555 1_555 1_555 yes
CS1 N7 NI1 N1 -175.7(2) 1_555 4_555 4_555 4_555 yes
CS1 N7 NI1 N3 157.3(9) 1_555 4_555 4_555 4_555 yes
CS1 N7 NI1 N5 88.9(2) 1_555 4_555 4_555 4_555 yes
CS1 N7 NI1 N9 -80.3(2) 1_555 4_555 4_555 4_555 yes
CS1 N7 NI1 N11 -1.0(2) 1_555 4_555 4_555 4_555 yes
CS1 N7 C9 C10 -81.5(5) 1_555 4_555 4_555 4_555 yes
CS1 N7 C12 N8 76.3(6) 1_555 4_555 4_555 4_555 yes
CS1 N7 C12 C11 -101.4(6) 1_555 4_555 4_555 4_555 yes
CS1 N8 C10 C9 66.9(5) 1_555 1_555 1_555 1_555 yes
CS1 N8 C12 N7 -68.5(5) 1_555 1_555 1_555 1_555 yes
CS1 N8 C12 C11 108.9(7) 1_555 1_555 1_555 1_555 yes
CS1 N8 C10 C9 66.9(5) 1_555 4_555 4_555 4_555 yes
CS1 N8 C12 N7 -68.5(5) 1_555 4_555 4_555 4_555 yes
CS1 N8 C12 C11 108.9(7) 1_555 4_555 4_555 4_555 yes
CS1 N11 NI1 N1 149(1) 1_555 1_555 1_555 1_555 yes
CS1 N11 NI1 N3 -174.7(2) 1_555 1_555 1_555 1_555 yes
CS1 N11 NI1 N5 -77.8(2) 1_555 1_555 1_555 1_555 yes
CS1 N11 NI1 N7 1.0(2) 1_555 1_555 1_555 1_555 yes
CS1 N11 NI1 N9 90.9(2) 1_555 1_555 1_555 1_555 yes
CS1 N11 C15 C16 -79.3(5) 1_555 1_555 1_555 1_555 yes
CS1 N11 C18 N12 75.6(5) 1_555 1_555 1_555 1_555 yes
CS1 N11 C18 C17 -105.4(5) 1_555 1_555 1_555 1_555 yes
CS1 N11 NI1 N1 149(1) 1_555 4_555 4_555 4_555 yes
CS1 N11 NI1 N3 -174.7(2) 1_555 4_555 4_555 4_555 yes
CS1 N11 NI1 N5 -77.8(2) 1_555 4_555 4_555 4_555 yes
CS1 N11 NI1 N7 1.0(2) 1_555 4_555 4_555 4_555 yes
CS1 N11 NI1 N9 90.9(2) 1_555 4_555 4_555 4_555 yes
CS1 N11 C15 C16 -79.3(5) 1_555 4_555 4_555 4_555 yes
CS1 N11 C18 N12 75.6(5) 1_555 4_555 4_555 4_555 yes
CS1 N11 C18 C17 -105.4(5) 1_555 4_555 4_555 4_555 yes
CS1 N12 C16 C15 69.1(5) 1_555 1_555 1_555 1_555 yes
CS1 N12 C18 N11 -68.8(5) 1_555 1_555 1_555 1_555 yes
CS1 N12 C18 C17 112.3(7) 1_555 1_555 1_555 1_555 yes
CS1 N12 C16 C15 69.1(5) 1_555 4_555 4_555 4_555 yes
CS1 N12 C18 N11 -68.8(5) 1_555 4_555 4_555 4_555 yes
CS1 N12 C18 C17 112.3(7) 1_555 4_555 4_555 4_555 yes
CS1 C9 N7 NI1 -97.6(6) 1_555 1_555 1_555 1_555 yes
CS1 C9 N7 C12 82.2(4) 1_555 1_555 1_555 1_555 yes
CS1 C9 C10 N8 -74.3(6) 1_555 1_555 1_555 1_555 yes
CS1 C9 N7 NI1 -97.6(6) 1_555 4_555 4_555 4_555 yes
CS1 C9 N7 C12 82.2(4) 1_555 4_555 4_555 4_555 yes
CS1 C9 C10 N8 -74.3(6) 1_555 4_555 4_555 4_555 yes
CS1 C10 N8 C12 -68.6(5) 1_555 1_555 1_555 1_555 yes
CS1 C10 C9 N7 75.0(5) 1_555 1_555 1_555 1_555 yes
CS1 C10 N8 C12 -68.6(5) 1_555 4_555 4_555 4_555 yes
CS1 C10 C9 N7 75.0(5) 1_555 4_555 4_555 4_555 yes
CS1 C12 N7 NI1 101.7(3) 1_555 1_555 1_555 1_555 yes
CS1 C12 N7 C9 -78.2(4) 1_555 1_555 1_555 1_555 yes
CS1 C12 N8 C10 70.8(5) 1_555 1_555 1_555 1_555 yes
CS1 C12 C11 N5 -77.1(7) 1_555 1_555 1_555 1_555 yes
CS1 C12 C11 N6 101.1(8) 1_555 1_555 1_555 1_555 yes
CS1 C12 N7 NI1 101.7(3) 1_555 4_555 4_555 4_555 yes
CS1 C12 N7 C9 -78.2(4) 1_555 4_555 4_555 4_555 yes
CS1 C12 N8 C10 70.8(5) 1_555 4_555 4_555 4_555 yes
CS1 C12 C11 N5 -77.1(7) 1_555 4_555 4_555 4_555 yes
CS1 C12 C11 N6 101.1(8) 1_555 4_555 4_555 4_555 yes
CS1 C15 N11 NI1 -97.6(6) 1_555 1_555 1_555 1_555 yes
CS1 C15 N11 C18 81.1(4) 1_555 1_555 1_555 1_555 yes
CS1 C15 C16 N12 -75.7(5) 1_555 1_555 1_555 1_555 yes
CS1 C15 N11 NI1 -97.6(6) 1_555 4_555 4_555 4_555 yes
CS1 C15 N11 C18 81.1(4) 1_555 4_555 4_555 4_555 yes
CS1 C15 C16 N12 -75.7(5) 1_555 4_555 4_555 4_555 yes
CS1 C16 N12 C18 -69.0(4) 1_555 1_555 1_555 1_555 yes
CS1 C16 C15 N11 74.4(4) 1_555 1_555 1_555 1_555 yes
CS1 C16 N12 C18 -69.0(4) 1_555 4_555 4_555 4_555 yes
CS1 C16 C15 N11 74.4(4) 1_555 4_555 4_555 4_555 yes
CS1 C18 N11 NI1 101.7(3) 1_555 1_555 1_555 1_555 yes
CS1 C18 N11 C15 -77.5(4) 1_555 1_555 1_555 1_555 yes
CS1 C18 N12 C16 69.9(5) 1_555 1_555 1_555 1_555 yes
CS1 C18 C17 N9 -76.5(6) 1_555 1_555 1_555 1_555 yes
CS1 C18 C17 N10 104.7(7) 1_555 1_555 1_555 1_555 yes
CS1 C18 N11 NI1 101.7(3) 1_555 4_555 4_555 4_555 yes
CS1 C18 N11 C15 -77.5(4) 1_555 4_555 4_555 4_555 yes
CS1 C18 N12 C16 69.9(5) 1_555 4_555 4_555 4_555 yes
CS1 C18 C17 N9 -76.5(6) 1_555 4_555 4_555 4_555 yes
CS1 C18 C17 N10 104.7(7) 1_555 4_555 4_555 4_555 yes
NI1 N1 C1 C2 173.7(6) 1_555 1_555 1_555 1_555 yes
NI1 N1 C5 N2 -176.3(4) 1_555 1_555 1_555 1_555 yes
NI1 N1 C5 C6 4.8(7) 1_555 1_555 1_555 1_555 yes
NI1 N3 C3 C4 177.7(6) 1_555 1_555 1_555 1_555 yes
NI1 N3 C6 N4 -178.9(4) 1_555 1_555 1_555 1_555 yes
NI1 N3 C6 C5 3.2(7) 1_555 1_555 1_555 1_555 yes
NI1 N5 C7 C8 -177.7(6) 1_555 1_555 1_555 1_555 yes
NI1 N5 C11 N6 178.6(5) 1_555 1_555 1_555 1_555 yes
NI1 N5 C11 C12 -2.9(8) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 N7 -110.7(2) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 N8 -145.9(3) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 N8 -83.7(2) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 N11 0.7(1) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 N11 148.2(2) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 N12 21.4(2) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 N12 118.3(2) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 C9 140.7(4) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 C9 -38.3(4) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 C10 177.1(3) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 C10 -54.6(3) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 C12 -113.5(4) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 C12 -109.0(2) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 C15 -13.9(2) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 C15 156.4(2) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 C16 -0.2(2) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 C16 138.4(2) 1_555 1_555 1_555 4_555 yes
NI1 N7 CS1 C18 23.3(2) 1_555 1_555 1_555 1_555 yes
NI1 N7 CS1 C18 121.2(2) 1_555 1_555 1_555 4_555 yes
NI1 N7 C9 C10 -179.1(5) 1_555 1_555 1_555 1_555 yes
NI1 N7 C12 N8 178.0(5) 1_555 1_555 1_555 1_555 yes
NI1 N7 C12 C11 0.2(7) 1_555 1_555 1_555 1_555 yes
NI1 N9 C13 C14 -174.0(6) 1_555 1_555 1_555 1_555 yes
NI1 N9 C17 N10 176.0(4) 1_555 1_555 1_555 1_555 yes
NI1 N9 C17 C18 -3.1(7) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 N7 -0.7(1) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 N7 161.6(1) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 N8 18.7(2) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 N8 126.2(2) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 N11 -109.3(2) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 N12 -145.4(3) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 N12 -85.0(2) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 C9 -15.8(2) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 C9 164.6(2) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 C10 -2.9(2) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 C10 144.6(2) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 C12 21.2(2) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 C12 133.3(2) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 C15 141.4(5) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 C15 -57.3(4) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 C16 177.8(3) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 C16 -60.7(2) 1_555 1_555 1_555 4_555 yes
NI1 N11 CS1 C18 -113.2(4) 1_555 1_555 1_555 1_555 yes
NI1 N11 CS1 C18 -107.3(2) 1_555 1_555 1_555 4_555 yes
NI1 N11 C15 C16 -176.9(5) 1_555 1_555 1_555 1_555 yes
NI1 N11 C18 N12 177.3(4) 1_555 1_555 1_555 1_555 yes
NI1 N11 C18 C17 -3.6(7) 1_555 1_555 1_555 1_555 yes
N1 NI1 N3 C3 -179.4(8) 1_555 1_555 1_555 1_555 yes
N1 NI1 N3 C6 -0.5(4) 1_555 1_555 1_555 1_555 yes
N1 NI1 N5 C7 91.9(8) 1_555 1_555 1_555 1_555 yes
N1 NI1 N5 C11 -87.4(5) 1_555 1_555 1_555 1_555 yes
N1 NI1 N7 C9 -86.2(7) 1_555 1_555 1_555 1_555 yes
N1 NI1 N7 C12 94.1(5) 1_555 1_555 1_555 1_555 yes
N1 NI1 N9 C13 3.6(8) 1_555 1_555 1_555 1_555 yes
N1 NI1 N9 C17 -170.5(4) 1_555 1_555 1_555 1_555 yes
N1 NI1 N11 C15 -121(1) 1_555 1_555 1_555 1_555 yes
N1 NI1 N11 C18 60(1) 1_555 1_555 1_555 1_555 yes
N1 C1 C2 N2 0.1(8) 1_555 1_555 1_555 1_555 yes
N1 C5 N2 C2 0.9(8) 1_555 1_555 1_555 1_555 yes
N1 C5 C6 N3 -5.5(8) 1_555 1_555 1_555 1_555 yes
N1 C5 C6 N4 177.0(6) 1_555 1_555 1_555 1_555 yes
N2 C5 N1 C1 -0.8(7) 1_555 1_555 1_555 1_555 yes
N2 C5 C6 N3 175.8(7) 1_555 1_555 1_555 1_555 yes
N2 C5 C6 N4 -1(1) 1_555 1_555 1_555 1_555 yes
N3 NI1 N1 C1 -175.3(7) 1_555 1_555 1_555 1_555 yes
N3 NI1 N1 C5 -2.3(4) 1_555 1_555 1_555 1_555 yes
N3 NI1 N5 C7 12.5(8) 1_555 1_555 1_555 1_555 yes
N3 NI1 N5 C11 -166.8(5) 1_555 1_555 1_555 1_555 yes
N3 NI1 N7 C9 -113(1) 1_555 1_555 1_555 1_555 yes
N3 NI1 N7 C12 67(1) 1_555 1_555 1_555 1_555 yes
N3 NI1 N9 C13 82.8(8) 1_555 1_555 1_555 1_555 yes
N3 NI1 N9 C17 -91.3(5) 1_555 1_555 1_555 1_555 yes
N3 NI1 N11 C15 -85.3(7) 1_555 1_555 1_555 1_555 yes
N3 NI1 N11 C18 96.0(4) 1_555 1_555 1_555 1_555 yes
N3 C3 C4 N4 1.7(9) 1_555 1_555 1_555 1_555 yes
N3 C6 N4 C4 0.6(7) 1_555 1_555 1_555 1_555 yes
N4 C6 N3 C3 0.4(7) 1_555 1_555 1_555 1_555 yes
N5 NI1 N1 C1 88.7(7) 1_555 1_555 1_555 1_555 yes
N5 NI1 N1 C5 -98.3(4) 1_555 1_555 1_555 1_555 yes
N5 NI1 N3 C3 -85.1(8) 1_555 1_555 1_555 1_555 yes
N5 NI1 N3 C6 93.7(4) 1_555 1_555 1_555 1_555 yes
N5 NI1 N7 C9 178.4(7) 1_555 1_555 1_555 1_555 yes
N5 NI1 N7 C12 -1.3(4) 1_555 1_555 1_555 1_555 yes
N5 NI1 N9 C13 -134.0(9) 1_555 1_555 1_555 1_555 yes
N5 NI1 N9 C17 51.9(10) 1_555 1_555 1_555 1_555 yes
N5 NI1 N11 C15 11.6(7) 1_555 1_555 1_555 1_555 yes
N5 NI1 N11 C18 -167.0(4) 1_555 1_555 1_555 1_555 yes
N5 C7 C8 N6 -1(1) 1_555 1_555 1_555 1_555 yes
N5 C11 N6 C8 -0.1(9) 1_555 1_555 1_555 1_555 yes
N5 C11 C12 N7 1.9(10) 1_555 1_555 1_555 1_555 yes
N5 C11 C12 N8 -175.5(7) 1_555 1_555 1_555 1_555 yes
N6 C11 N5 C7 -0.9(8) 1_555 1_555 1_555 1_555 yes
N6 C11 C12 N7 -179.9(7) 1_555 1_555 1_555 1_555 yes
N6 C11 C12 N8 2(1) 1_555 1_555 1_555 1_555 yes
N7 CS1 N7 C9 108.5(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 N7 C12 2.7(3) 1_555 1_555 4_555 4_555 yes
N7 CS1 N8 C10 -74.5(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 N8 C12 33.5(3) 1_555 1_555 1_555 1_555 yes
N7 CS1 N8 C10 116.7(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 N8 C12 -135.3(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 N11 C15 -142.1(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 N11 C18 112.4(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 N11 C15 20.2(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 N11 C18 -85.3(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 N12 C16 -104.0(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 N12 C18 4.7(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 N12 C16 64.7(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 N12 C18 173.4(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C9 C10 110.4(6) 1_555 1_555 1_555 1_555 yes
N7 CS1 C9 C10 -30.6(7) 1_555 1_555 4_555 4_555 yes
N7 CS1 C10 N8 75.7(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 C10 C9 -37.5(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 C10 N8 -83.4(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C10 C9 163.3(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C12 N8 -117.9(6) 1_555 1_555 1_555 1_555 yes
N7 CS1 C12 C11 113.0(6) 1_555 1_555 1_555 1_555 yes
N7 CS1 C12 N8 63.2(5) 1_555 1_555 4_555 4_555 yes
N7 CS1 C12 C11 -65.8(5) 1_555 1_555 4_555 4_555 yes
N7 CS1 C15 N11 31.8(3) 1_555 1_555 1_555 1_555 yes
N7 CS1 C15 C16 142.4(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 C15 N11 -163.6(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C15 C16 -53.0(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C16 N12 76.5(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 C16 C15 -36.3(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 C16 N12 -117.5(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C16 C15 129.7(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C18 N11 -56.7(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 C18 N12 -174.9(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 C18 C17 55.7(4) 1_555 1_555 1_555 1_555 yes
N7 CS1 C18 N11 110.5(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C18 N12 -7.7(4) 1_555 1_555 4_555 4_555 yes
N7 CS1 C18 C17 -137.1(4) 1_555 1_555 4_555 4_555 yes
N7 NI1 N1 C1 10.1(7) 1_555 1_555 1_555 1_555 yes
N7 NI1 N1 C5 -176.9(4) 1_555 1_555 1_555 1_555 yes
N7 NI1 N3 C3 -151.8(9) 1_555 1_555 1_555 1_555 yes
N7 NI1 N3 C6 26(1) 1_555 1_555 1_555 1_555 yes
N7 NI1 N5 C7 -178.5(8) 1_555 1_555 1_555 1_555 yes
N7 NI1 N5 C11 2.2(4) 1_555 1_555 1_555 1_555 yes
N7 NI1 N9 C13 -87.3(8) 1_555 1_555 1_555 1_555 yes
N7 NI1 N9 C17 98.6(5) 1_555 1_555 1_555 1_555 yes
N7 NI1 N11 C15 90.4(7) 1_555 1_555 1_555 1_555 yes
N7 NI1 N11 C18 -88.3(4) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 N8 -75.3(4) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 N8 -64.7(5) 1_555 1_555 1_555 4_555 yes
N7 C9 CS1 N11 33.7(3) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 N11 -173.9(3) 1_555 1_555 1_555 4_555 yes
N7 C9 CS1 N12 62.2(4) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 N12 157.7(4) 1_555 1_555 1_555 4_555 yes
N7 C9 CS1 C9 109.9(4) 1_555 1_555 1_555 4_555 yes
N7 C9 CS1 C10 -110.4(6) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 C10 -29.0(6) 1_555 1_555 1_555 4_555 yes
N7 C9 CS1 C12 -38.5(3) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 C12 -101.9(4) 1_555 1_555 1_555 4_555 yes
N7 C9 CS1 C15 24.8(4) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 C15 -164.8(4) 1_555 1_555 1_555 4_555 yes
N7 C9 CS1 C16 42.6(4) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 C16 177.5(4) 1_555 1_555 1_555 4_555 yes
N7 C9 CS1 C18 56.4(4) 1_555 1_555 1_555 1_555 yes
N7 C9 CS1 C18 163.4(4) 1_555 1_555 1_555 4_555 yes
N7 C9 C10 N8 0.7(9) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 N8 117.9(6) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 N8 -156.1(3) 1_555 1_555 1_555 4_555 yes
N7 C12 CS1 N11 -55.3(3) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 N11 99.2(4) 1_555 1_555 1_555 4_555 yes
N7 C12 CS1 N12 -46.9(4) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 N12 57.7(4) 1_555 1_555 1_555 4_555 yes
N7 C12 CS1 C9 40.1(3) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 C9 -139.5(3) 1_555 1_555 1_555 4_555 yes
N7 C12 CS1 C10 79.4(4) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 C10 -135.7(3) 1_555 1_555 1_555 4_555 yes
N7 C12 CS1 C12 -176.9(4) 1_555 1_555 1_555 4_555 yes
N7 C12 CS1 C15 -75.7(4) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 C15 95.9(4) 1_555 1_555 1_555 4_555 yes
N7 C12 CS1 C16 -69.7(4) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 C16 73.6(4) 1_555 1_555 1_555 4_555 yes
N7 C12 CS1 C18 -39.3(3) 1_555 1_555 1_555 1_555 yes
N7 C12 CS1 C18 70.4(4) 1_555 1_555 1_555 4_555 yes
N7 C12 N8 C10 2.2(8) 1_555 1_555 1_555 1_555 yes
N8 CS1 N7 C9 73.4(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 N7 C12 -32.4(3) 1_555 1_555 1_555 1_555 yes
N8 CS1 N7 C9 135.6(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 N7 C12 29.8(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 N8 C10 150.8(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 N8 C12 -101.3(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 N11 C15 -122.7(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 N11 C18 131.9(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 N11 C15 -15.2(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 N11 C18 -120.6(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 N12 C16 -94.8(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 N12 C18 14.0(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 N12 C16 26.6(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 N12 C18 135.4(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C9 C10 35.1(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 C9 C10 45.7(5) 1_555 1_555 4_555 4_555 yes
N8 CS1 C10 C9 -113.3(6) 1_555 1_555 1_555 1_555 yes
N8 CS1 C10 C9 -148.4(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C12 C11 -129.0(6) 1_555 1_555 1_555 1_555 yes
N8 CS1 C12 C11 -43.0(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C15 N11 59.1(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 C15 C16 169.7(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 C15 N11 165.5(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C15 C16 -83.9(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C16 N12 100.6(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 C16 C15 -12.1(5) 1_555 1_555 1_555 1_555 yes
N8 CS1 C16 N12 -153.8(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C16 C15 93.4(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C18 N11 -50.0(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 C18 N12 -168.2(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 C18 C17 62.4(4) 1_555 1_555 1_555 1_555 yes
N8 CS1 C18 N11 67.7(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C18 N12 -50.5(4) 1_555 1_555 4_555 4_555 yes
N8 CS1 C18 C17 -179.9(4) 1_555 1_555 4_555 4_555 yes
N8 C10 CS1 N11 78.7(4) 1_555 1_555 1_555 1_555 yes
N8 C10 CS1 N11 -126.8(4) 1_555 1_555 1_555 4_555 yes
N8 C10 CS1 N12 104.7(4) 1_555 1_555 1_555 1_555 yes
N8 C10 CS1 N12 -162.3(4) 1_555 1_555 1_555 4_555 yes
N8 C10 CS1 C9 113.3(6) 1_555 1_555 1_555 1_555 yes
N8 C10 CS1 C9 -67.5(6) 1_555 1_555 1_555 4_555 yes
N8 C10 CS1 C10 -24.2(4) 1_555 1_555 1_555 4_555 yes
N8 C10 CS1 C12 37.6(3) 1_555 1_555 1_555 1_555 yes
N8 C10 CS1 C12 -60.9(4) 1_555 1_555 1_555 4_555 yes
N8 C10 CS1 C15 64.2(4) 1_555 1_555 1_555 1_555 yes
N8 C10 CS1 C15 -125.5(4) 1_555 1_555 1_555 4_555 yes
N8 C10 CS1 C16 79.3(4) 1_555 1_555 1_555 1_555 yes
N8 C10 CS1 C16 -148.8(4) 1_555 1_555 1_555 4_555 yes
N8 C10 CS1 C18 100.1(4) 1_555 1_555 1_555 1_555 yes
N8 C10 CS1 C18 -149.0(4) 1_555 1_555 1_555 4_555 yes
N8 C12 CS1 N11 -173.2(4) 1_555 1_555 1_555 1_555 yes
N8 C12 CS1 N11 -18.7(4) 1_555 1_555 1_555 4_555 yes
N8 C12 CS1 N12 -164.8(4) 1_555 1_555 1_555 1_555 yes
N8 C12 CS1 N12 -60.2(4) 1_555 1_555 1_555 4_555 yes
N8 C12 CS1 C9 -77.8(4) 1_555 1_555 1_555 1_555 yes
N8 C12 CS1 C9 102.6(4) 1_555 1_555 1_555 4_555 yes
N8 C12 CS1 C10 -38.5(4) 1_555 1_555 1_555 1_555 yes
N8 C12 CS1 C10 106.4(4) 1_555 1_555 1_555 4_555 yes
N8 C12 CS1 C12 65.2(3) 1_555 1_555 1_555 4_555 yes
N8 C12 CS1 C15 166.4(4) 1_555 1_555 1_555 1_555 yes
N8 C12 CS1 C15 -22.0(4) 1_555 1_555 1_555 4_555 yes
N8 C12 CS1 C16 172.4(4) 1_555 1_555 1_555 1_555 yes
N8 C12 CS1 C16 -44.3(4) 1_555 1_555 1_555 4_555 yes
N8 C12 CS1 C18 -157.3(4) 1_555 1_555 1_555 1_555 yes
N8 C12 CS1 C18 -47.6(4) 1_555 1_555 1_555 4_555 yes
N8 C12 N7 C9 -1.8(8) 1_555 1_555 1_555 1_555 yes
N9 NI1 N1 C1 -81.4(7) 1_555 1_555 1_555 1_555 yes
N9 NI1 N1 C5 91.6(4) 1_555 1_555 1_555 1_555 yes
N9 NI1 N3 C3 86.1(8) 1_555 1_555 1_555 1_555 yes
N9 NI1 N3 C6 -95.1(4) 1_555 1_555 1_555 1_555 yes
N9 NI1 N5 C7 -130.6(9) 1_555 1_555 1_555 1_555 yes
N9 NI1 N5 C11 50(1) 1_555 1_555 1_555 1_555 yes
N9 NI1 N7 C9 9.2(7) 1_555 1_555 1_555 1_555 yes
N9 NI1 N7 C12 -170.5(4) 1_555 1_555 1_555 1_555 yes
N9 NI1 N11 C15 -179.7(7) 1_555 1_555 1_555 1_555 yes
N9 NI1 N11 C18 1.6(4) 1_555 1_555 1_555 1_555 yes
N9 C13 C14 N10 -0.1(9) 1_555 1_555 1_555 1_555 yes
N9 C17 N10 C14 0.3(8) 1_555 1_555 1_555 1_555 yes
N9 C17 C18 N11 4.7(9) 1_555 1_555 1_555 1_555 yes
N9 C17 C18 N12 -176.4(6) 1_555 1_555 1_555 1_555 yes
N10 C17 N9 C13 -0.3(8) 1_555 1_555 1_555 1_555 yes
N10 C17 C18 N11 -174.2(6) 1_555 1_555 1_555 1_555 yes
N10 C17 C18 N12 4(1) 1_555 1_555 1_555 1_555 yes
N11 CS1 N7 C9 -140.0(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 N7 C12 114.2(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 N7 C9 7.5(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 N7 C12 -98.3(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 N8 C10 -101.7(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 N8 C12 6.3(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 N8 C10 56.6(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 N8 C12 164.6(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 N11 C15 109.3(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 N11 C18 3.9(3) 1_555 1_555 4_555 4_555 yes
N11 CS1 N12 C16 -75.2(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 N12 C18 33.5(3) 1_555 1_555 1_555 1_555 yes
N11 CS1 N12 C16 122.4(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 N12 C18 -128.9(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 C9 C10 144.1(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 C9 C10 -63.5(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 C10 C9 -34.5(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 C10 C9 119.9(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 C12 C11 57.7(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 C12 C11 -147.8(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 C15 C16 110.6(6) 1_555 1_555 1_555 1_555 yes
N11 CS1 C15 C16 -6.8(6) 1_555 1_555 4_555 4_555 yes
N11 CS1 C16 N12 75.2(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 C16 C15 -37.5(4) 1_555 1_555 1_555 1_555 yes
N11 CS1 C16 N12 -71.4(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 C16 C15 175.8(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 C18 N12 -118.2(6) 1_555 1_555 1_555 1_555 yes
N11 CS1 C18 C17 112.4(6) 1_555 1_555 1_555 1_555 yes
N11 CS1 C18 N12 64.1(4) 1_555 1_555 4_555 4_555 yes
N11 CS1 C18 C17 -65.3(5) 1_555 1_555 4_555 4_555 yes
N11 NI1 N1 C1 -138(1) 1_555 1_555 1_555 1_555 yes
N11 NI1 N1 C5 34(1) 1_555 1_555 1_555 1_555 yes
N11 NI1 N3 C3 6.7(8) 1_555 1_555 1_555 1_555 yes
N11 NI1 N3 C6 -174.5(4) 1_555 1_555 1_555 1_555 yes
N11 NI1 N5 C7 -80.6(8) 1_555 1_555 1_555 1_555 yes
N11 NI1 N5 C11 100.1(5) 1_555 1_555 1_555 1_555 yes
N11 NI1 N7 C9 88.5(7) 1_555 1_555 1_555 1_555 yes
N11 NI1 N7 C12 -91.2(4) 1_555 1_555 1_555 1_555 yes
N11 NI1 N9 C13 174.9(8) 1_555 1_555 1_555 1_555 yes
N11 NI1 N9 C17 0.8(4) 1_555 1_555 1_555 1_555 yes
N11 C15 CS1 N12 -75.3(4) 1_555 1_555 1_555 1_555 yes
N11 C15 CS1 N12 -60.4(4) 1_555 1_555 1_555 4_555 yes
N11 C15 CS1 C9 22.1(4) 1_555 1_555 1_555 1_555 yes
N11 C15 CS1 C9 -157.5(4) 1_555 1_555 1_555 4_555 yes
N11 C15 CS1 C10 38.9(4) 1_555 1_555 1_555 1_555 yes
N11 C15 CS1 C10 -176.7(4) 1_555 1_555 1_555 4_555 yes
N11 C15 CS1 C12 54.0(4) 1_555 1_555 1_555 1_555 yes
N11 C15 CS1 C12 173.4(3) 1_555 1_555 1_555 4_555 yes
N11 C15 CS1 C15 -67.2(4) 1_555 1_555 1_555 4_555 yes
N11 C15 CS1 C16 -110.6(6) 1_555 1_555 1_555 1_555 yes
N11 C15 CS1 C16 -35.4(6) 1_555 1_555 1_555 4_555 yes
N11 C15 CS1 C18 -38.7(3) 1_555 1_555 1_555 1_555 yes
N11 C15 CS1 C18 -90.7(4) 1_555 1_555 1_555 4_555 yes
N11 C15 C16 N12 -1.3(8) 1_555 1_555 1_555 1_555 yes
N11 C18 CS1 N12 118.2(6) 1_555 1_555 1_555 1_555 yes
N11 C18 CS1 N12 -155.3(4) 1_555 1_555 1_555 4_555 yes
N11 C18 CS1 C9 -77.4(4) 1_555 1_555 1_555 1_555 yes
N11 C18 CS1 C9 102.9(4) 1_555 1_555 1_555 4_555 yes
N11 C18 CS1 C10 -72.4(4) 1_555 1_555 1_555 1_555 yes
N11 C18 CS1 C10 80.3(4) 1_555 1_555 1_555 4_555 yes
N11 C18 CS1 C12 -41.6(4) 1_555 1_555 1_555 1_555 yes
N11 C18 CS1 C12 85.5(4) 1_555 1_555 1_555 4_555 yes
N11 C18 CS1 C15 40.5(4) 1_555 1_555 1_555 1_555 yes
N11 C18 CS1 C15 -145.9(3) 1_555 1_555 1_555 4_555 yes
N11 C18 CS1 C16 79.9(4) 1_555 1_555 1_555 1_555 yes
N11 C18 CS1 C16 -137.7(4) 1_555 1_555 1_555 4_555 yes
N11 C18 CS1 C18 -175.3(4) 1_555 1_555 1_555 4_555 yes
N11 C18 N12 C16 1.1(8) 1_555 1_555 1_555 1_555 yes
N12 CS1 N7 C9 -119.3(4) 1_555 1_555 1_555 1_555 yes
N12 CS1 N7 C12 134.9(4) 1_555 1_555 1_555 1_555 yes
N12 CS1 N7 C9 -22.4(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 N7 C12 -128.2(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 N8 C10 -89.9(4) 1_555 1_555 1_555 1_555 yes
N12 CS1 N8 C12 18.0(4) 1_555 1_555 1_555 1_555 yes
N12 CS1 N8 C10 17.9(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 N8 C12 125.9(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 N11 C15 73.2(4) 1_555 1_555 1_555 1_555 yes
N12 CS1 N11 C18 -32.2(3) 1_555 1_555 1_555 1_555 yes
N12 CS1 N11 C15 133.6(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 N11 C18 28.2(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 N12 C16 154.7(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 N12 C18 -96.6(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 C9 C10 172.7(4) 1_555 1_555 1_555 1_555 yes
N12 CS1 C9 C10 -91.9(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 C10 C9 -8.5(5) 1_555 1_555 1_555 1_555 yes
N12 CS1 C10 C9 84.4(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 C12 C11 66.2(4) 1_555 1_555 1_555 1_555 yes
N12 CS1 C12 C11 170.7(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 C15 C16 35.3(4) 1_555 1_555 1_555 1_555 yes
N12 CS1 C15 C16 50.3(5) 1_555 1_555 4_555 4_555 yes
N12 CS1 C16 C15 -112.8(6) 1_555 1_555 1_555 1_555 yes
N12 CS1 C16 C15 -141.2(4) 1_555 1_555 4_555 4_555 yes
N12 CS1 C18 C17 -129.4(6) 1_555 1_555 1_555 1_555 yes
N12 CS1 C18 C17 -42.9(4) 1_555 1_555 4_555 4_555 yes
N12 C16 CS1 C9 61.1(4) 1_555 1_555 1_555 1_555 yes
N12 C16 CS1 C9 -118.5(4) 1_555 1_555 1_555 4_555 yes
N12 C16 CS1 C10 74.3(4) 1_555 1_555 1_555 1_555 yes
N12 C16 CS1 C10 -142.5(4) 1_555 1_555 1_555 4_555 yes
N12 C16 CS1 C12 97.3(4) 1_555 1_555 1_555 1_555 yes
N12 C16 CS1 C12 -138.8(4) 1_555 1_555 1_555 4_555 yes
N12 C16 CS1 C15 112.8(6) 1_555 1_555 1_555 1_555 yes
N12 C16 CS1 C15 -54.2(5) 1_555 1_555 1_555 4_555 yes
N12 C16 CS1 C16 -20.0(3) 1_555 1_555 1_555 4_555 yes
N12 C16 CS1 C18 37.2(3) 1_555 1_555 1_555 1_555 yes
N12 C16 CS1 C18 -52.1(4) 1_555 1_555 1_555 4_555 yes
N12 C18 CS1 C9 164.3(4) 1_555 1_555 1_555 1_555 yes
N12 C18 CS1 C9 -15.3(4) 1_555 1_555 1_555 4_555 yes
N12 C18 CS1 C10 169.4(4) 1_555 1_555 1_555 1_555 yes
N12 C18 CS1 C10 -37.9(4) 1_555 1_555 1_555 4_555 yes
N12 C18 CS1 C12 -159.8(4) 1_555 1_555 1_555 1_555 yes
N12 C18 CS1 C12 -32.7(5) 1_555 1_555 1_555 4_555 yes
N12 C18 CS1 C15 -77.7(4) 1_555 1_555 1_555 1_555 yes
N12 C18 CS1 C15 95.8(4) 1_555 1_555 1_555 4_555 yes
N12 C18 CS1 C16 -38.3(4) 1_555 1_555 1_555 1_555 yes
N12 C18 CS1 C16 104.1(4) 1_555 1_555 1_555 4_555 yes
N12 C18 CS1 C18 66.5(4) 1_555 1_555 1_555 4_555 yes
N12 C18 N11 C15 -1.9(7) 1_555 1_555 1_555 1_555 yes
N13 C19 C20 C21 170.2(6) 1_555 1_555 1_555 1_555 yes
N13 C19 C20 C21 170.2(6) 1_555 12_555 12_555 12_555 yes
N13 C22 C23 C24 -177.7(7) 1_555 1_555 1_555 1_555 yes
N13 C22 C23 C24 -177.7(7) 1_555 12_555 12_555 12_555 yes
C1 N1 C5 C6 -179.8(5) 1_555 1_555 1_555 1_555 yes
C1 C2 N2 C5 -0.5(8) 1_555 1_555 1_555 1_555 yes
C2 N2 C5 C6 179.6(7) 1_555 1_555 1_555 1_555 yes
C2 C1 N1 C5 0.5(7) 1_555 1_555 1_555 1_555 yes
C3 N3 C6 C5 -177.5(6) 1_555 1_555 1_555 1_555 yes
C3 C4 N4 C6 -1.4(8) 1_555 1_555 1_555 1_555 yes
C4 N4 C6 C5 178.2(6) 1_555 1_555 1_555 1_555 yes
C4 C3 N3 C6 -1.2(8) 1_555 1_555 1_555 1_555 yes
C7 N5 C11 C12 177.5(6) 1_555 1_555 1_555 1_555 yes
C7 C8 N6 C11 1(1) 1_555 1_555 1_555 1_555 yes
C8 N6 C11 C12 -178.3(8) 1_555 1_555 1_555 1_555 yes
C8 C7 N5 C11 1.6(9) 1_555 1_555 1_555 1_555 yes
C9 CS1 N7 C12 -105.8(5) 1_555 1_555 1_555 1_555 yes
C9 CS1 N7 C12 75.2(5) 1_555 1_555 4_555 4_555 yes
C9 CS1 N8 C10 -35.8(4) 1_555 1_555 1_555 1_555 yes
C9 CS1 N8 C12 72.2(4) 1_555 1_555 1_555 1_555 yes
C9 CS1 N8 C10 144.2(4) 1_555 1_555 4_555 4_555 yes
C9 CS1 N8 C12 -107.9(4) 1_555 1_555 4_555 4_555 yes
C9 CS1 N11 C15 -157.2(4) 1_555 1_555 1_555 1_555 yes
C9 CS1 N11 C18 97.3(4) 1_555 1_555 1_555 1_555 yes
C9 CS1 N11 C15 23.2(4) 1_555 1_555 4_555 4_555 yes
C9 CS1 N11 C18 -82.3(4) 1_555 1_555 4_555 4_555 yes
C9 CS1 N12 C16 -124.3(4) 1_555 1_555 1_555 1_555 yes
C9 CS1 N12 C18 -15.6(4) 1_555 1_555 1_555 1_555 yes
C9 CS1 N12 C16 56.0(4) 1_555 1_555 4_555 4_555 yes
C9 CS1 N12 C18 164.7(4) 1_555 1_555 4_555 4_555 yes
C9 CS1 C9 C10 -139.6(4) 1_555 1_555 4_555 4_555 yes
C9 CS1 C12 C11 153.2(5) 1_555 1_555 1_555 1_555 yes
C9 CS1 C12 C11 -26.5(5) 1_555 1_555 4_555 4_555 yes
C9 CS1 C15 C16 132.7(4) 1_555 1_555 1_555 1_555 yes
C9 CS1 C15 C16 -46.9(4) 1_555 1_555 4_555 4_555 yes
C9 CS1 C16 C15 -51.7(5) 1_555 1_555 1_555 1_555 yes
C9 CS1 C16 C15 128.7(5) 1_555 1_555 4_555 4_555 yes
C9 CS1 C18 C17 35.0(4) 1_555 1_555 1_555 1_555 yes
C9 CS1 C18 C17 -144.7(4) 1_555 1_555 4_555 4_555 yes
C9 N7 CS1 C10 36.4(4) 1_555 1_555 1_555 1_555 yes
C9 N7 CS1 C10 164.7(4) 1_555 1_555 1_555 4_555 yes
C9 N7 CS1 C12 105.8(5) 1_555 1_555 1_555 1_555 yes
C9 N7 CS1 C12 110.3(4) 1_555 1_555 1_555 4_555 yes
C9 N7 CS1 C15 -154.6(4) 1_555 1_555 1_555 1_555 yes
C9 N7 CS1 C15 15.6(4) 1_555 1_555 1_555 4_555 yes
C9 N7 CS1 C16 -140.9(4) 1_555 1_555 1_555 1_555 yes
C9 N7 CS1 C16 -2.4(4) 1_555 1_555 1_555 4_555 yes
C9 N7 CS1 C18 -117.4(4) 1_555 1_555 1_555 1_555 yes
C9 N7 CS1 C18 -19.5(4) 1_555 1_555 1_555 4_555 yes
C9 N7 C12 C11 -179.6(6) 1_555 1_555 1_555 1_555 yes
C9 C10 CS1 C10 -137.4(4) 1_555 1_555 1_555 4_555 yes
C9 C10 CS1 C12 -75.7(5) 1_555 1_555 1_555 1_555 yes
C9 C10 CS1 C12 -174.2(4) 1_555 1_555 1_555 4_555 yes
C9 C10 CS1 C15 -49.0(4) 1_555 1_555 1_555 1_555 yes
C9 C10 CS1 C15 121.3(5) 1_555 1_555 1_555 4_555 yes
C9 C10 CS1 C16 -34.0(5) 1_555 1_555 1_555 1_555 yes
C9 C10 CS1 C16 97.9(4) 1_555 1_555 1_555 4_555 yes
C9 C10 CS1 C18 -13.1(4) 1_555 1_555 1_555 1_555 yes
C9 C10 CS1 C18 97.7(4) 1_555 1_555 1_555 4_555 yes
C9 C10 N8 C12 -1.7(8) 1_555 1_555 1_555 1_555 yes
C10 CS1 N7 C12 -69.4(4) 1_555 1_555 1_555 1_555 yes
C10 CS1 N7 C12 58.9(4) 1_555 1_555 4_555 4_555 yes
C10 CS1 N8 C12 108.0(6) 1_555 1_555 1_555 1_555 yes
C10 CS1 N8 C12 -88.2(4) 1_555 1_555 4_555 4_555 yes
C10 CS1 N11 C15 -144.3(4) 1_555 1_555 1_555 1_555 yes
C10 CS1 N11 C18 110.3(4) 1_555 1_555 1_555 1_555 yes
C10 CS1 N11 C15 3.2(4) 1_555 1_555 4_555 4_555 yes
C10 CS1 N11 C18 -102.3(4) 1_555 1_555 4_555 4_555 yes
C10 CS1 N12 C16 -121.0(4) 1_555 1_555 1_555 1_555 yes
C10 CS1 N12 C18 -12.3(4) 1_555 1_555 1_555 1_555 yes
C10 CS1 N12 C16 33.3(4) 1_555 1_555 4_555 4_555 yes
C10 CS1 N12 C18 142.1(4) 1_555 1_555 4_555 4_555 yes
C10 CS1 C12 C11 -167.6(5) 1_555 1_555 1_555 1_555 yes
C10 CS1 C12 C11 -22.6(5) 1_555 1_555 4_555 4_555 yes
C10 CS1 C15 C16 149.6(4) 1_555 1_555 1_555 1_555 yes
C10 CS1 C15 C16 -66.0(4) 1_555 1_555 4_555 4_555 yes
C10 CS1 C16 C15 -38.4(5) 1_555 1_555 1_555 1_555 yes
C10 CS1 C16 C15 104.7(5) 1_555 1_555 4_555 4_555 yes
C10 CS1 C18 C17 40.0(4) 1_555 1_555 1_555 1_555 yes
C10 CS1 C18 C17 -167.3(4) 1_555 1_555 4_555 4_555 yes
C10 N8 CS1 C12 -108.0(6) 1_555 1_555 1_555 1_555 yes
C10 N8 CS1 C12 128.2(4) 1_555 1_555 1_555 4_555 yes
C10 N8 CS1 C15 -121.7(4) 1_555 1_555 1_555 1_555 yes
C10 N8 CS1 C15 50.6(4) 1_555 1_555 1_555 4_555 yes
C10 N8 CS1 C16 -116.9(4) 1_555 1_555 1_555 1_555 yes
C10 N8 CS1 C16 27.8(4) 1_555 1_555 1_555 4_555 yes
C10 N8 CS1 C18 -84.6(4) 1_555 1_555 1_555 1_555 yes
C10 N8 CS1 C18 34.9(4) 1_555 1_555 1_555 4_555 yes
C10 N8 C12 C11 179.7(7) 1_555 1_555 1_555 1_555 yes
C10 C9 CS1 C12 71.9(5) 1_555 1_555 1_555 1_555 yes
C10 C9 CS1 C12 8.5(6) 1_555 1_555 1_555 4_555 yes
C10 C9 CS1 C15 135.2(4) 1_555 1_555 1_555 1_555 yes
C10 C9 CS1 C15 -54.4(4) 1_555 1_555 1_555 4_555 yes
C10 C9 CS1 C16 153.0(4) 1_555 1_555 1_555 1_555 yes
C10 C9 CS1 C16 -72.1(4) 1_555 1_555 1_555 4_555 yes
C10 C9 CS1 C18 166.9(4) 1_555 1_555 1_555 1_555 yes
C10 C9 CS1 C18 -86.2(4) 1_555 1_555 1_555 4_555 yes
C10 C9 N7 C12 0.6(7) 1_555 1_555 1_555 1_555 yes
C11 C12 CS1 C12 -63.8(4) 1_555 1_555 1_555 4_555 yes
C11 C12 CS1 C15 37.3(4) 1_555 1_555 1_555 1_555 yes
C11 C12 CS1 C15 -151.1(4) 1_555 1_555 1_555 4_555 yes
C11 C12 CS1 C16 43.4(4) 1_555 1_555 1_555 1_555 yes
C11 C12 CS1 C16 -173.4(4) 1_555 1_555 1_555 4_555 yes
C11 C12 CS1 C18 73.7(4) 1_555 1_555 1_555 1_555 yes
C11 C12 CS1 C18 -176.6(3) 1_555 1_555 1_555 4_555 yes
C12 CS1 N11 C15 -120.2(4) 1_555 1_555 1_555 1_555 yes
C12 CS1 N11 C18 134.3(4) 1_555 1_555 1_555 1_555 yes
C12 CS1 N11 C15 -8.1(4) 1_555 1_555 4_555 4_555 yes
C12 CS1 N11 C18 -113.5(4) 1_555 1_555 4_555 4_555 yes
C12 CS1 N12 C16 -88.0(4) 1_555 1_555 1_555 1_555 yes
C12 CS1 N12 C18 20.7(4) 1_555 1_555 1_555 1_555 yes
C12 CS1 N12 C16 45.7(4) 1_555 1_555 4_555 4_555 yes
C12 CS1 N12 C18 154.4(4) 1_555 1_555 4_555 4_555 yes
C12 CS1 C15 C16 164.7(4) 1_555 1_555 1_555 1_555 yes
C12 CS1 C15 C16 -76.0(4) 1_555 1_555 4_555 4_555 yes
C12 CS1 C16 C15 -15.5(4) 1_555 1_555 1_555 1_555 yes
C12 CS1 C16 C15 108.4(4) 1_555 1_555 4_555 4_555 yes
C12 CS1 C18 C17 70.8(4) 1_555 1_555 1_555 1_555 yes
C12 CS1 C18 C17 -162.1(4) 1_555 1_555 4_555 4_555 yes
C12 N7 CS1 C15 99.6(4) 1_555 1_555 1_555 1_555 yes
C12 N7 CS1 C15 -90.2(4) 1_555 1_555 1_555 4_555 yes
C12 N7 CS1 C16 113.3(4) 1_555 1_555 1_555 1_555 yes
C12 N7 CS1 C16 -108.2(4) 1_555 1_555 1_555 4_555 yes
C12 N7 CS1 C18 136.8(4) 1_555 1_555 1_555 1_555 yes
C12 N7 CS1 C18 -125.3(4) 1_555 1_555 1_555 4_555 yes
C12 N8 CS1 C15 -13.7(4) 1_555 1_555 1_555 1_555 yes
C12 N8 CS1 C15 158.6(4) 1_555 1_555 1_555 4_555 yes
C12 N8 CS1 C16 -8.9(4) 1_555 1_555 1_555 1_555 yes
C12 N8 CS1 C16 135.7(4) 1_555 1_555 1_555 4_555 yes
C12 N8 CS1 C18 23.3(4) 1_555 1_555 1_555 1_555 yes
C12 N8 CS1 C18 142.8(4) 1_555 1_555 1_555 4_555 yes
C13 N9 C17 C18 -179.4(6) 1_555 1_555 1_555 1_555 yes
C13 C14 N10 C17 -0.2(9) 1_555 1_555 1_555 1_555 yes
C14 N10 C17 C18 179.2(7) 1_555 1_555 1_555 1_555 yes
C14 C13 N9 C17 0.2(8) 1_555 1_555 1_555 1_555 yes
C15 CS1 N11 C18 -105.4(5) 1_555 1_555 1_555 1_555 yes
C15 CS1 N11 C18 55.9(5) 1_555 1_555 4_555 4_555 yes
C15 CS1 N12 C16 -36.2(4) 1_555 1_555 1_555 1_555 yes
C15 CS1 N12 C18 72.5(4) 1_555 1_555 1_555 1_555 yes
C15 CS1 N12 C16 145.7(3) 1_555 1_555 4_555 4_555 yes
C15 CS1 N12 C18 -105.6(4) 1_555 1_555 4_555 4_555 yes
C15 CS1 C15 C16 43.5(4) 1_555 1_555 4_555 4_555 yes
C15 CS1 C18 C17 152.9(6) 1_555 1_555 1_555 1_555 yes
C15 CS1 C18 C17 -33.5(5) 1_555 1_555 4_555 4_555 yes
C15 N11 CS1 C16 36.4(4) 1_555 1_555 1_555 1_555 yes
C15 N11 CS1 C16 157.9(4) 1_555 1_555 1_555 4_555 yes
C15 N11 CS1 C18 105.4(5) 1_555 1_555 1_555 1_555 yes
C15 N11 CS1 C18 111.3(4) 1_555 1_555 1_555 4_555 yes
C15 N11 C18 C17 177.2(5) 1_555 1_555 1_555 1_555 yes
C15 C16 CS1 C16 -132.8(4) 1_555 1_555 1_555 4_555 yes
C15 C16 CS1 C18 -75.6(4) 1_555 1_555 1_555 1_555 yes
C15 C16 CS1 C18 -164.9(4) 1_555 1_555 1_555 4_555 yes
C15 C16 N12 C18 0.2(8) 1_555 1_555 1_555 1_555 yes
C16 CS1 N11 C18 -69.1(4) 1_555 1_555 1_555 1_555 yes
C16 CS1 N11 C18 52.5(4) 1_555 1_555 4_555 4_555 yes
C16 CS1 N12 C18 108.7(5) 1_555 1_555 1_555 1_555 yes
C16 CS1 N12 C18 -86.1(4) 1_555 1_555 4_555 4_555 yes
C16 CS1 C18 C17 -167.7(6) 1_555 1_555 1_555 1_555 yes
C16 CS1 C18 C17 -25.3(4) 1_555 1_555 4_555 4_555 yes
C16 N12 CS1 C18 -108.7(5) 1_555 1_555 1_555 1_555 yes
C16 N12 CS1 C18 132.9(4) 1_555 1_555 1_555 4_555 yes
C16 N12 C18 C17 -177.8(6) 1_555 1_555 1_555 1_555 yes
C16 C15 CS1 C18 72.0(4) 1_555 1_555 1_555 1_555 yes
C16 C15 CS1 C18 19.9(5) 1_555 1_555 1_555 4_555 yes
C16 C15 N11 C18 1.8(7) 1_555 1_555 1_555 1_555 yes
C17 C18 CS1 C18 -62.9(4) 1_555 1_555 1_555 4_555 yes
C19 N13 C19 C20 -179.1(7) 1_555 1_555 12_555 12_555 yes
C19 N13 C22 C23 61.7(8) 1_555 1_555 1_555 1_555 yes
C19 N13 C22 C23 -57.0(8) 1_555 1_555 12_555 12_555 yes
C20 C19 N13 C22 60.7(8) 1_555 1_555 1_555 1_555 yes
C20 C19 N13 C22 -59.6(7) 1_555 1_555 1_555 12_555 yes
C22 N13 C22 C23 -177.2(8) 1_555 1_555 12_555 12_555 yes
