#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/33/7213314.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7213314
loop_
_publ_author_name
'Nakatsuji, Shin’ichi'
'Ogawa, Yuya'
'Takeuchi, Soichi'
'Akutsu, Hiroki'
'Yamada, Jun-ichi'
'Naito, Akira'
'Sudo, Kyoko'
'Yasuoka, Noritake'
_publ_section_title
;
 Novel photo-responsive organic spin systems: preparation and properties
 of norbornadienes and spiropyrans with TEMPO radical substituents
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              1969
_journal_paper_doi               10.1039/b001993n
_journal_year                    2000
_chemical_formula_moiety         'C17 H25 N2 O2 '
_chemical_formula_sum            'C17 H25 N2 O2'
_chemical_formula_weight         289.40
_chemical_name_systematic
;

Quadricyclaue with carboxamide-TEMPO

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Wed May 26 03:56:32 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 105.622(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5297(3)
_cell_length_b                   22.131(3)
_cell_length_c                   9.9543(6)
_cell_measurement_temperature    290
_cell_volume                     1597.5(2)
_computing_cell_refinement       'RIGAKU d*TREK'
_computing_data_collection       'RIGAKU d*TREK'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      290
_diffrn_measurement_device_type  'ADSC Quantum 1'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_sigmaI/netI    0.041
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1195
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.7
_diffrn_reflns_theta_min         2.81
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale red'
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             628.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.826
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2491
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0889
_refine_ls_R_factor_gt           0.0889
_refine_ls_shift/su_max          0.0070
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[σ²(Fo²) + 0.00360(Fo²)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1641
_refine_ls_wR_factor_ref         0.1641
_reflns_number_gt                2491
_reflns_number_total             1195
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b001993nsup1.cif
_cod_data_source_block           A_TEXRAY.INF_file_is_not_p
_cod_depositor_comments
;
The following automatic conversions were performed:
'_reflns_observed_expression' tag replaced with
'_reflns_threshold_expression' tag as specified in the replacement
file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_site_calc_flags'
tag replaced with '_atom_site_calc_flag' tag as specified in the
replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_type_scat_imag'
tag replaced with '_atom_type_scat_dispersion_imag' tag as specified
in the replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c       '
_cod_original_formula_sum        'C17 H25 N2 O2 '
_cod_database_code               7213314
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+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
O(1) O 1.1808(3) 0.05167(10) 0.6553(3) 0.0769(8) Uani 1.00 d
O(2) O 0.6460(3) 0.27736(8) 0.4529(2) 0.0502(6) Uani 1.00 d
N(1) N 1.0742(3) 0.09613(10) 0.6615(2) 0.0464(7) Uani 1.00 d
N(2) N 0.7135(3) 0.24198(9) 0.6737(2) 0.0341(6) Uani 1.00 d
C(3) C 0.8071(3) 0.1885(1) 0.6393(3) 0.0327(7) Uani 1.00 d
C(2) C 0.8256(3) 0.1404(1) 0.7488(3) 0.0372(7) Uani 1.00 d
C(1) C 0.9067(3) 0.0815(1) 0.7095(3) 0.0407(7) Uani 1.00 d
C(5) C 1.0909(3) 0.1501(1) 0.5757(3) 0.0443(8) Uani 1.00 d
C(4) C 0.9971(3) 0.2038(1) 0.6240(3) 0.0412(8) Uani 1.00 d
C(9) C 0.9678(4) 0.0409(1) 0.8376(3) 0.0620(10) Uani 1.00 d
C(8) C 0.7654(4) 0.0482(1) 0.5940(4) 0.0609(10) Uani 1.00 d
C(6) C 1.0060(4) 0.1361(1) 0.4214(3) 0.0595(10) Uani 1.00 d
C(7) C 1.2968(4) 0.1641(2) 0.6012(4) 0.071(1) Uani 1.00 d
C(8') C 0.6337(3) 0.2817(1) 0.5741(3) 0.0349(7) Uani 1.00 d
C(5') C 0.5282(3) 0.3313(1) 0.6143(3) 0.0370(7) Uani 1.00 d
C(1') C 0.4530(4) 0.3394(1) 0.7407(3) 0.0481(8) Uani 1.00 d
C(7') C 0.2737(4) 0.3648(1) 0.6470(3) 0.0600(10) Uani 1.00 d
C(6') C 0.3495(4) 0.3569(1) 0.5213(3) 0.0560(9) Uani 1.00 d
C(2') C 0.4087(4) 0.4054(1) 0.7417(3) 0.0564(9) Uani 1.00 d
C(3') C 0.5168(5) 0.4402(1) 0.6633(4) 0.073(1) Uani 1.00 d
C(4') C 0.5184(4) 0.3943(1) 0.5516(3) 0.0577(10) Uani 1.00 d
H(3) H 0.7353 0.1748 0.5521 0.0347 Uiso 1.00 c
H(1) H 0.9052 0.1555 0.8388 0.0442 Uiso 1.00 c
H(2) H 0.7069 0.1303 0.7638 0.0540 Uiso 1.00 c
H(5) H 1.0742 0.2198 0.7129 0.0503 Uiso 1.00 c
H(4) H 0.9943 0.2360 0.5555 0.0454 Uiso 1.00 c
H(17) H 1.0830 0.0597 0.9146 0.0921 Uiso 1.00 c
H(15) H 0.8569 0.0354 0.8791 0.0751 Uiso 1.00 c
H(16) H 1.0205 0.0054 0.8126 0.0934 Uiso 1.00 c
H(13) H 0.6585 0.0319 0.6279 0.0860 Uiso 1.00 c
H(12) H 0.7094 0.0737 0.5070 0.0740 Uiso 1.00 c
H(14) H 0.8216 0.0136 0.5728 0.0876 Uiso 1.00 c
H(8) H 1.0277 0.1656 0.3672 0.0958 Uiso 1.00 c
H(6) H 0.8670 0.1316 0.4018 0.0663 Uiso 1.00 c
H(7) H 1.0478 0.0975 0.3971 0.0819 Uiso 1.00 c
H(10) H 1.3433 0.1288 0.5651 0.0943 Uiso 1.00 c
H(11) H 1.3039 0.2016 0.5460 0.1079 Uiso 1.00 c
H(9) H 1.3529 0.1712 0.6988 0.0973 Uiso 1.00 c
H(18) H 0.6916 0.2424 0.7547 0.0356 Uiso 1.00 c
H(24) H 0.4607 0.3118 0.8135 0.0851 Uiso 1.00 c
H(25) H 0.1471 0.3572 0.6532 0.0949 Uiso 1.00 c
H(19) H 0.2868 0.3414 0.4299 0.1065 Uiso 1.00 c
H(20) H 0.3776 0.4207 0.8241 0.0720 Uiso 1.00 c
H(22) H 0.4524 0.4810 0.6174 0.0936 Uiso 1.00 c
H(21) H 0.6420 0.4511 0.7206 0.0876 Uiso 1.00 c
H(23) H 0.5678 0.4015 0.4798 0.0746 Uiso 1.00 c
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)

;
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
O(1) N(1) C(1) 116.1(2) 1_555 1_555 1_555 yes
O(1) N(1) C(5) 115.9(2) 1_555 1_555 1_555 yes
C(1) N(1) C(5) 124.2(2) 1_555 1_555 1_555 yes
C(3) N(2) C(8') 120.3(2) 1_555 1_555 1_555 yes
C(3) N(2) H(18) 116.8(2) 1_555 1_555 1_555 no
C(8') N(2) H(18) 121.4(2) 1_555 1_555 1_555 no
N(2) C(3) C(2) 111.0(2) 1_555 1_555 1_555 yes
N(2) C(3) C(4) 111.7(2) 1_555 1_555 1_555 yes
N(2) C(3) H(3) 106.5(2) 1_555 1_555 1_555 no
C(2) C(3) C(4) 108.9(2) 1_555 1_555 1_555 yes
C(2) C(3) H(3) 111.0(2) 1_555 1_555 1_555 no
C(4) C(3) H(3) 107.6(2) 1_555 1_555 1_555 no
C(3) C(2) C(1) 112.5(2) 1_555 1_555 1_555 yes
C(3) C(2) H(1) 109.5(2) 1_555 1_555 1_555 no
C(3) C(2) H(2) 111.4(2) 1_555 1_555 1_555 no
C(1) C(2) H(1) 109.3(2) 1_555 1_555 1_555 no
C(1) C(2) H(2) 106.8(2) 1_555 1_555 1_555 no
H(1) C(2) H(2) 107.2(2) 1_555 1_555 1_555 no
N(1) C(1) C(2) 108.9(2) 1_555 1_555 1_555 yes
N(1) C(1) C(9) 107.6(2) 1_555 1_555 1_555 yes
N(1) C(1) C(8) 109.8(2) 1_555 1_555 1_555 yes
C(2) C(1) C(9) 109.8(2) 1_555 1_555 1_555 yes
C(2) C(1) C(8) 110.9(2) 1_555 1_555 1_555 yes
C(9) C(1) C(8) 109.7(2) 1_555 1_555 1_555 yes
N(1) C(5) C(4) 109.0(2) 1_555 1_555 1_555 yes
N(1) C(5) C(6) 109.6(2) 1_555 1_555 1_555 yes
N(1) C(5) C(7) 107.7(2) 1_555 1_555 1_555 yes
C(4) C(5) C(6) 111.8(2) 1_555 1_555 1_555 yes
C(4) C(5) C(7) 108.9(2) 1_555 1_555 1_555 yes
C(6) C(5) C(7) 109.7(2) 1_555 1_555 1_555 yes
C(3) C(4) C(5) 112.8(2) 1_555 1_555 1_555 yes
C(3) C(4) H(5) 109.5(2) 1_555 1_555 1_555 no
C(3) C(4) H(4) 112.8(2) 1_555 1_555 1_555 no
C(5) C(4) H(5) 110.6(2) 1_555 1_555 1_555 no
C(5) C(4) H(4) 105.7(2) 1_555 1_555 1_555 no
H(5) C(4) H(4) 105.1(2) 1_555 1_555 1_555 no
C(1) C(9) H(17) 111.8(2) 1_555 1_555 1_555 no
C(1) C(9) H(15) 108.0(2) 1_555 1_555 1_555 no
C(1) C(9) H(16) 108.9(3) 1_555 1_555 1_555 no
H(17) C(9) H(15) 110.2(3) 1_555 1_555 1_555 no
H(17) C(9) H(16) 101.2(3) 1_555 1_555 1_555 no
H(15) C(9) H(16) 116.7(3) 1_555 1_555 1_555 no
C(1) C(8) H(13) 111.9(3) 1_555 1_555 1_555 no
C(1) C(8) H(12) 114.5(2) 1_555 1_555 1_555 no
C(1) C(8) H(14) 107.5(3) 1_555 1_555 1_555 no
H(13) C(8) H(12) 107.1(3) 1_555 1_555 1_555 no
H(13) C(8) H(14) 103.4(3) 1_555 1_555 1_555 no
H(12) C(8) H(14) 111.9(3) 1_555 1_555 1_555 no
C(5) C(6) H(8) 111.4(3) 1_555 1_555 1_555 no
C(5) C(6) H(6) 110.1(2) 1_555 1_555 1_555 no
C(5) C(6) H(7) 110.9(3) 1_555 1_555 1_555 no
H(8) C(6) H(6) 107.7(3) 1_555 1_555 1_555 no
H(8) C(6) H(7) 111.8(3) 1_555 1_555 1_555 no
H(6) C(6) H(7) 104.7(3) 1_555 1_555 1_555 no
C(5) C(7) H(10) 103.1(3) 1_555 1_555 1_555 no
C(5) C(7) H(11) 106.0(3) 1_555 1_555 1_555 no
C(5) C(7) H(9) 110.4(3) 1_555 1_555 1_555 no
H(10) C(7) H(11) 112.8(3) 1_555 1_555 1_555 no
H(10) C(7) H(9) 113.8(3) 1_555 1_555 1_555 no
H(11) C(7) H(9) 110.1(4) 1_555 1_555 1_555 no
O(2) C(8') N(2) 122.2(2) 1_555 1_555 1_555 yes
O(2) C(8') C(5') 120.7(2) 1_555 1_555 1_555 yes
N(2) C(8') C(5') 117.1(2) 1_555 1_555 1_555 yes
C(8') C(5') C(1') 131.3(2) 1_555 1_555 1_555 yes
C(8') C(5') C(6') 124.5(2) 1_555 1_555 1_555 yes
C(8') C(5') C(4') 122.8(2) 1_555 1_555 1_555 yes
C(1') C(5') C(6') 89.7(2) 1_555 1_555 1_555 yes
C(1') C(5') C(4') 104.1(2) 1_555 1_555 1_555 yes
C(6') C(5') C(4') 58.1(2) 1_555 1_555 1_555 yes
C(5') C(1') C(7') 90.2(2) 1_555 1_555 1_555 yes
C(5') C(1') C(2') 104.7(2) 1_555 1_555 1_555 yes
C(5') C(1') H(24) 127.1(2) 1_555 1_555 1_555 no
C(7') C(1') C(2') 58.9(2) 1_555 1_555 1_555 yes
C(7') C(1') H(24) 124.9(3) 1_555 1_555 1_555 no
C(2') C(1') H(24) 126.6(3) 1_555 1_555 1_555 no
C(1') C(7') C(6') 89.7(2) 1_555 1_555 1_555 yes
C(1') C(7') C(2') 59.6(2) 1_555 1_555 1_555 yes
C(1') C(7') H(25) 127.6(3) 1_555 1_555 1_555 no
C(6') C(7') C(2') 104.3(3) 1_555 1_555 1_555 yes
C(6') C(7') H(25) 128.0(3) 1_555 1_555 1_555 no
C(2') C(7') H(25) 124.8(3) 1_555 1_555 1_555 no
C(5') C(6') C(7') 90.5(2) 1_555 1_555 1_555 yes
C(5') C(6') C(4') 60.9(2) 1_555 1_555 1_555 yes
C(5') C(6') H(19) 124.5(3) 1_555 1_555 1_555 no
C(7') C(6') C(4') 105.1(3) 1_555 1_555 1_555 yes
C(7') C(6') H(19) 128.2(3) 1_555 1_555 1_555 no
C(4') C(6') H(19) 124.5(3) 1_555 1_555 1_555 no
C(1') C(2') C(7') 61.4(2) 1_555 1_555 1_555 yes
C(1') C(2') C(3') 110.3(2) 1_555 1_555 1_555 yes
C(1') C(2') H(20) 116.8(3) 1_555 1_555 1_555 no
C(7') C(2') C(3') 110.9(3) 1_555 1_555 1_555 yes
C(7') C(2') H(20) 117.8(3) 1_555 1_555 1_555 no
C(3') C(2') H(20) 123.6(3) 1_555 1_555 1_555 no
C(2') C(3') C(4') 98.8(2) 1_555 1_555 1_555 yes
C(2') C(3') H(22) 114.4(3) 1_555 1_555 1_555 no
C(2') C(3') H(21) 113.2(3) 1_555 1_555 1_555 no
C(4') C(3') H(22) 110.3(3) 1_555 1_555 1_555 no
C(4') C(3') H(21) 113.2(3) 1_555 1_555 1_555 no
H(22) C(3') H(21) 106.9(3) 1_555 1_555 1_555 no
C(5') C(4') C(6') 60.9(2) 1_555 1_555 1_555 yes
C(5') C(4') C(3') 108.9(2) 1_555 1_555 1_555 yes
C(5') C(4') H(23) 120.0(3) 1_555 1_555 1_555 no
C(6') C(4') C(3') 110.5(3) 1_555 1_555 1_555 yes
C(6') C(4') H(23) 116.8(3) 1_555 1_555 1_555 no
C(3') C(4') H(23) 123.5(3) 1_555 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
O(1) N(1) 1.281(3) 1_555 1_555 yes
O(2) C(8') 1.239(3) 1_555 1_555 yes
N(1) C(1) 1.500(3) 1_555 1_555 yes
N(1) C(5) 1.493(3) 1_555 1_555 yes
N(2) C(3) 1.464(3) 1_555 1_555 yes
N(2) C(8') 1.340(3) 1_555 1_555 yes
C(3) C(2) 1.503(3) 1_555 1_555 yes
C(3) C(4) 1.516(3) 1_555 1_555 yes
C(2) C(1) 1.535(3) 1_555 1_555 yes
C(1) C(9) 1.526(4) 1_555 1_555 yes
C(1) C(8) 1.529(4) 1_555 1_555 yes
C(5) C(4) 1.526(4) 1_555 1_555 yes
C(5) C(6) 1.528(4) 1_555 1_555 yes
C(5) C(7) 1.534(4) 1_555 1_555 yes
C(8') C(5') 1.471(3) 1_555 1_555 yes
C(5') C(1') 1.523(4) 1_555 1_555 yes
C(5') C(6') 1.523(4) 1_555 1_555 yes
C(5') C(4') 1.523(4) 1_555 1_555 yes
C(1') C(7') 1.526(4) 1_555 1_555 yes
C(1') C(2') 1.500(4) 1_555 1_555 yes
C(7') C(6') 1.519(4) 1_555 1_555 yes
C(7') C(2') 1.488(4) 1_555 1_555 yes
C(6') C(4') 1.479(4) 1_555 1_555 yes
C(2') C(3') 1.486(4) 1_555 1_555 yes
C(3') C(4') 1.508(4) 1_555 1_555 yes
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
O(1) C(8) 3.428(4) 1_555 3_756
O(1) C(3') 3.510(4) 1_555 2_746
O(2) N(2) 2.987(3) 1_555 4_554
O(2) C(2) 3.278(3) 1_555 4_554
O(2) C(1') 3.405(3) 1_555 4_554
N(2) C(7) 3.481(4) 1_555 1_455
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
O(1) N(1) C(1) C(2) 164.7(2) 1_555 1_555 1_555 1_555 yes
O(1) N(1) C(1) C(9) 45.7(3) 1_555 1_555 1_555 1_555 yes
O(1) N(1) C(1) C(8) -73.7(3) 1_555 1_555 1_555 1_555 yes
O(1) N(1) C(5) C(4) -164.7(2) 1_555 1_555 1_555 1_555 yes
O(1) N(1) C(5) C(6) 72.6(3) 1_555 1_555 1_555 1_555 yes
O(1) N(1) C(5) C(7) -46.7(3) 1_555 1_555 1_555 1_555 yes
O(2) C(8') N(2) C(3) -5.0(4) 1_555 1_555 1_555 1_555 yes
O(2) C(8') C(5') C(1') 163.4(3) 1_555 1_555 1_555 1_555 yes
O(2) C(8') C(5') C(6') 36.9(4) 1_555 1_555 1_555 1_555 yes
O(2) C(8') C(5') C(4') -34.4(4) 1_555 1_555 1_555 1_555 yes
N(1) C(1) C(2) C(3) 47.9(3) 1_555 1_555 1_555 1_555 yes
N(1) C(5) C(4) C(3) -47.6(3) 1_555 1_555 1_555 1_555 yes
N(2) C(3) C(2) C(1) 174.6(2) 1_555 1_555 1_555 1_555 yes
N(2) C(3) C(4) C(5) -175.0(2) 1_555 1_555 1_555 1_555 yes
N(2) C(8') C(5') C(1') -16.2(4) 1_555 1_555 1_555 1_555 yes
N(2) C(8') C(5') C(6') -142.7(3) 1_555 1_555 1_555 1_555 yes
N(2) C(8') C(5') C(4') 146.0(3) 1_555 1_555 1_555 1_555 yes
C(3) N(2) C(8') C(5') 174.6(2) 1_555 1_555 1_555 1_555 yes
C(3) C(2) C(1) C(9) 165.5(2) 1_555 1_555 1_555 1_555 yes
C(3) C(2) C(1) C(8) -73.1(3) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(5) C(6) 73.8(3) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(5) C(7) -164.8(2) 1_555 1_555 1_555 1_555 yes
C(2) C(3) N(2) C(8') -159.7(2) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(5) 62.0(3) 1_555 1_555 1_555 1_555 yes
C(2) C(1) N(1) C(5) -38.1(3) 1_555 1_555 1_555 1_555 yes
C(1) N(1) C(5) C(4) 38.0(3) 1_555 1_555 1_555 1_555 yes
C(1) N(1) C(5) C(6) -84.7(3) 1_555 1_555 1_555 1_555 yes
C(1) N(1) C(5) C(7) 156.0(2) 1_555 1_555 1_555 1_555 yes
C(1) C(2) C(3) C(4) -62.0(3) 1_555 1_555 1_555 1_555 yes
C(5) N(1) C(1) C(9) -157.0(2) 1_555 1_555 1_555 1_555 yes
C(5) N(1) C(1) C(8) 83.6(3) 1_555 1_555 1_555 1_555 yes
C(4) C(3) N(2) C(8') 78.5(3) 1_555 1_555 1_555 1_555 yes
C(8') C(5') C(1') C(7') -138.2(3) 1_555 1_555 1_555 1_555 yes
C(8') C(5') C(1') C(2') 164.0(3) 1_555 1_555 1_555 1_555 yes
C(8') C(5') C(6') C(7') 142.6(3) 1_555 1_555 1_555 1_555 yes
C(8') C(5') C(6') C(4') -110.3(3) 1_555 1_555 1_555 1_555 yes
C(8') C(5') C(4') C(6') 113.1(3) 1_555 1_555 1_555 1_555 yes
C(8') C(5') C(4') C(3') -143.4(3) 1_555 1_555 1_555 1_555 yes
C(5') C(1') C(7') C(6') -0.3(2) 1_555 1_555 1_555 1_555 yes
C(5') C(1') C(7') C(2') -107.1(2) 1_555 1_555 1_555 1_555 yes
C(5') C(1') C(2') C(7') 81.1(2) 1_555 1_555 1_555 1_555 yes
C(5') C(1') C(2') C(3') -22.3(3) 1_555 1_555 1_555 1_555 yes
C(5') C(6') C(7') C(1') 0.3(2) 1_555 1_555 1_555 1_555 yes
C(5') C(6') C(7') C(2') 58.7(3) 1_555 1_555 1_555 1_555 yes
C(5') C(6') C(4') C(3') -100.8(3) 1_555 1_555 1_555 1_555 yes
C(5') C(4') C(6') C(7') 81.9(2) 1_555 1_555 1_555 1_555 yes
C(5') C(4') C(3') C(2') -34.9(3) 1_555 1_555 1_555 1_555 yes
C(1') C(5') C(6') C(7') -0.3(2) 1_555 1_555 1_555 1_555 yes
C(1') C(5') C(6') C(4') 106.8(2) 1_555 1_555 1_555 1_555 yes
C(1') C(5') C(4') C(6') -80.6(2) 1_555 1_555 1_555 1_555 yes
C(1') C(5') C(4') C(3') 22.8(3) 1_555 1_555 1_555 1_555 yes
C(1') C(7') C(6') C(4') -59.7(3) 1_555 1_555 1_555 1_555 yes
C(1') C(7') C(2') C(3') 102.4(3) 1_555 1_555 1_555 1_555 yes
C(1') C(2') C(7') C(6') -81.0(2) 1_555 1_555 1_555 1_555 yes
C(1') C(2') C(3') C(4') 34.9(3) 1_555 1_555 1_555 1_555 yes
C(7') C(1') C(5') C(6') 0.3(2) 1_555 1_555 1_555 1_555 yes
C(7') C(1') C(5') C(4') 57.2(3) 1_555 1_555 1_555 1_555 yes
C(7') C(1') C(2') C(3') -103.4(3) 1_555 1_555 1_555 1_555 yes
C(7') C(6') C(5') C(4') -107.1(2) 1_555 1_555 1_555 1_555 yes
C(7') C(6') C(4') C(3') -18.9(3) 1_555 1_555 1_555 1_555 yes
C(7') C(2') C(3') C(4') -31.2(3) 1_555 1_555 1_555 1_555 yes
C(6') C(5') C(1') C(2') -57.5(3) 1_555 1_555 1_555 1_555 yes
C(6') C(5') C(4') C(3') 103.5(3) 1_555 1_555 1_555 1_555 yes
C(6') C(7') C(1') C(2') 106.8(3) 1_555 1_555 1_555 1_555 yes
C(6') C(7') C(2') C(3') 21.3(3) 1_555 1_555 1_555 1_555 yes
C(6') C(4') C(3') C(2') 30.3(3) 1_555 1_555 1_555 1_555 yes
C(2') C(1') C(5') C(4') -0.6(3) 1_555 1_555 1_555 1_555 yes
C(2') C(7') C(6') C(4') -1.2(3) 1_555 1_555 1_555 1_555 yes
