#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/51/2205169.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2205169
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Song, Hai-Bin'
'Zheng-Ming Li'
_publ_section_title
;
 N,N-Bis(anthracen-9-ylmethyl)propylamine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o385
_journal_page_last               o386
_journal_paper_doi               10.1107/S1600536804034026
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C33 H29 N'
_chemical_formula_moiety         'C33 H29 N'
_chemical_formula_sum            'C33 H29 N'
_chemical_formula_weight         439.57
_chemical_melting_point          282
_chemical_name_systematic
;
N,N-Bis(anthracen-9-ylmethyl)propylamine
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.179(7)
_cell_angle_beta                 106.822(7)
_cell_angle_gamma                97.750(7)
_cell_formula_units_Z            2
_cell_length_a                   9.891(4)
_cell_length_b                   10.188(4)
_cell_length_c                   13.592(5)
_cell_measurement_reflns_used    689
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.3
_cell_measurement_theta_min      2.3
_cell_volume                     1224.0(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART1000 CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7130
_diffrn_reflns_theta_full        26.45
_diffrn_reflns_theta_max         26.45
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         4975
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.197
_refine_ls_R_factor_gt           0.077
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0803P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.158
_refine_ls_wR_factor_ref         0.208
_reflns_number_gt                2036
_reflns_number_total             4975
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wk6030.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1224.1(7)
_cod_database_code               2205169
_cod_database_fobs_code          2205169
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -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_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
N1 0.6097(3) 0.1547(2) 0.33354(18) 0.0464(7) Uani d D 1 . . N
C1 0.7259(4) 0.2229(3) 0.1282(2) 0.0462(8) Uani d . 1 A . C
C2 0.8757(4) 0.2315(4) 0.1809(3) 0.0620(10) Uani d . 1 . . C
H2A 0.9012 0.1907 0.2349 0.074 Uiso calc R 1 . . H
C3 0.9818(4) 0.2969(4) 0.1549(3) 0.0776(12) Uani d . 1 . . C
H3A 1.0783 0.2991 0.1903 0.093 Uiso calc R 1 . . H
C4 0.9482(5) 0.3612(5) 0.0755(3) 0.0861(14) Uani d . 1 . . C
H4A 1.0219 0.4063 0.0583 0.103 Uiso calc R 1 . . H
C5 0.8094(5) 0.3576(4) 0.0242(3) 0.0745(12) Uani d . 1 . . C
H5A 0.7884 0.4015 -0.0281 0.089 Uiso calc R 1 . . H
C6 0.6936(4) 0.2893(3) 0.0470(2) 0.0532(9) Uani d . 1 . . C
C7 0.5511(4) 0.2856(3) -0.0067(3) 0.0589(10) Uani d . 1 . . C
H7A 0.5310 0.3300 -0.0587 0.071 Uiso calc R 1 . . H
C8 0.4370(4) 0.2182(3) 0.0140(2) 0.0515(9) Uani d . 1 . . C
C9 0.2915(4) 0.2146(4) -0.0421(3) 0.0714(11) Uani d . 1 . . C
H9A 0.2714 0.2584 -0.0945 0.086 Uiso calc R 1 . . H
C10 0.1821(4) 0.1492(5) -0.0213(3) 0.0813(13) Uani d . 1 . . C
H10A 0.0867 0.1472 -0.0593 0.098 Uiso calc R 1 . . H
C11 0.2112(4) 0.0834(4) 0.0581(3) 0.0759(12) Uani d . 1 . . C
H11A 0.1345 0.0388 0.0727 0.091 Uiso calc R 1 . . H
C12 0.3484(4) 0.0840(4) 0.1135(3) 0.0575(9) Uani d . 1 . . C
H12A 0.3650 0.0386 0.1650 0.069 Uiso calc R 1 . . H
C13 0.4675(3) 0.1524(3) 0.0945(2) 0.0442(8) Uani d . 1 A . C
C14 0.6120(3) 0.1543(3) 0.1515(2) 0.0431(8) Uani d . 1 . . C
C15 0.6398(4) 0.0822(3) 0.2356(2) 0.0486(9) Uani d . 1 A . C
H15A 0.5796 -0.0128 0.2033 0.058 Uiso calc R 1 . . H
H15B 0.7405 0.0760 0.2565 0.058 Uiso calc R 1 . . H
C19 0.6103(4) 0.0668(3) 0.4028(2) 0.0530(9) Uani d . 1 A . C
H19A 0.6000 0.1214 0.4701 0.064 Uiso calc R 1 . . H
H19B 0.7036 0.0422 0.4216 0.064 Uiso calc R 1 . . H
C20 0.4920(4) -0.0663(3) 0.3508(2) 0.0473(8) Uani d . 1 . . C
C21 0.3473(4) -0.0585(4) 0.3389(2) 0.0542(9) Uani d . 1 A . C
C22 0.3068(5) 0.0703(4) 0.3711(3) 0.0691(11) Uani d . 1 . . C
H22A 0.3772 0.1542 0.3989 0.083 Uiso calc R 1 A . H
C23 0.1669(5) 0.0744(5) 0.3625(3) 0.0877(13) Uani d . 1 A . C
H23A 0.1433 0.1603 0.3858 0.105 Uiso calc R 1 . . H
C24 0.0596(6) -0.0490(7) 0.3191(4) 0.1057(17) Uani d . 1 . . C
H24A -0.0358 -0.0450 0.3128 0.127 Uiso calc R 1 A . H
C25 0.0913(5) -0.1734(6) 0.2863(4) 0.0925(15) Uani d . 1 A . C
H25A 0.0174 -0.2548 0.2569 0.111 Uiso calc R 1 . . H
C26 0.2338(4) -0.1839(4) 0.2952(3) 0.0629(10) Uani d . 1 . . C
C27 0.2708(5) -0.3111(4) 0.2641(3) 0.0733(12) Uani d . 1 A . C
H27A 0.1972 -0.3927 0.2355 0.088 Uiso calc R 1 . . H
C28 0.4087(5) -0.3241(4) 0.2729(3) 0.0619(10) Uani d . 1 . . C
C29 0.4431(6) -0.4569(4) 0.2391(3) 0.0849(14) Uani d . 1 A . C
H29A 0.3694 -0.5384 0.2105 0.102 Uiso calc R 1 . . H
C30 0.5777(7) -0.4669(5) 0.2475(4) 0.0964(16) Uani d . 1 . . C
H30A 0.5970 -0.5548 0.2236 0.116 Uiso calc R 1 A . H
C31 0.6909(6) -0.3464(6) 0.2920(3) 0.0895(14) Uani d . 1 A . C
H31A 0.7853 -0.3547 0.2984 0.107 Uiso calc R 1 . . H
C32 0.6641(5) -0.2172(4) 0.3258(3) 0.0724(11) Uani d . 1 . . C
H32A 0.7412 -0.1385 0.3553 0.087 Uiso calc R 1 A . H
C33 0.5234(4) -0.1984(4) 0.3179(2) 0.0539(9) Uani d . 1 A . C
C16 0.7425(12) 0.2746(10) 0.3940(8) 0.060(4) Uiso d PD 0.379(14) A 1 C
H16A 0.8247 0.2398 0.4268 0.072 Uiso calc PR 0.379(14) A 1 H
H16B 0.7661 0.3172 0.3437 0.072 Uiso calc PR 0.379(14) A 1 H
C17 0.7123(17) 0.3819(9) 0.4811(8) 0.070(4) Uiso d PD 0.379(14) A 1 C
H17A 0.6920 0.3395 0.5325 0.085 Uiso calc PR 0.379(14) A 1 H
H17B 0.6271 0.4128 0.4482 0.085 Uiso calc PR 0.379(14) A 1 H
C18 0.8415(19) 0.5082(12) 0.5414(10) 0.104(5) Uiso d PD 0.379(14) A 1 C
H18A 0.8177 0.5776 0.5937 0.155 Uiso calc PR 0.379(14) A 1 H
H18B 0.8641 0.5478 0.4901 0.155 Uiso calc PR 0.379(14) A 1 H
H18C 0.9240 0.4788 0.5785 0.155 Uiso calc PR 0.379(14) A 1 H
C17' 0.6394(10) 0.3885(6) 0.4702(5) 0.064(2) Uiso d PD 0.621(14) A 2 C
H17C 0.6126 0.3420 0.5175 0.077 Uiso calc PR 0.621(14) A 2 H
H17D 0.5523 0.4066 0.4260 0.077 Uiso calc PR 0.621(14) A 2 H
C18' 0.7495(11) 0.5270(7) 0.5392(5) 0.088(3) Uiso d PD 0.621(14) A 2 C
H18D 0.7073 0.5867 0.5839 0.132 Uiso calc PR 0.621(14) A 2 H
H18E 0.7766 0.5725 0.4924 0.132 Uiso calc PR 0.621(14) A 2 H
H18F 0.8341 0.5093 0.5850 0.132 Uiso calc PR 0.621(14) A 2 H
C16' 0.7009(8) 0.2946(5) 0.3976(4) 0.0445(19) Uiso d PD 0.621(14) A 2 C
H16C 0.7215 0.3403 0.3481 0.053 Uiso calc PR 0.621(14) A 2 H
H16D 0.7927 0.2852 0.4425 0.053 Uiso calc PR 0.621(14) A 2 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C16' N1 C15 115.9(4) ?
C16' N1 C19 110.5(3) ?
C15 N1 C19 111.0(2) y
C16' N1 C16 19.0(5) ?
C15 N1 C16 102.2(5) y
C19 N1 C16 106.5(5) y
C14 C1 C2 124.1(3) ?
C14 C1 C6 119.6(3) ?
C2 C1 C6 116.3(3) ?
C3 C2 C1 122.1(4) ?
C3 C2 H2A 118.9 ?
C1 C2 H2A 118.9 ?
C2 C3 C4 120.7(4) ?
C2 C3 H3A 119.6 ?
C4 C3 H3A 119.6 ?
C5 C4 C3 119.7(4) ?
C5 C4 H4A 120.2 ?
C3 C4 H4A 120.2 ?
C4 C5 C6 122.1(4) ?
C4 C5 H5A 118.9 ?
C6 C5 H5A 118.9 ?
C7 C6 C5 121.6(3) ?
C7 C6 C1 119.3(3) ?
C5 C6 C1 119.0(3) ?
C6 C7 C8 122.2(3) ?
C6 C7 H7A 118.9 ?
C8 C7 H7A 118.9 ?
C7 C8 C9 121.6(3) ?
C7 C8 C13 119.0(3) ?
C9 C8 C13 119.4(3) ?
C10 C9 C8 121.0(4) ?
C10 C9 H9A 119.5 ?
C8 C9 H9A 119.5 ?
C9 C10 C11 120.0(4) ?
C9 C10 H10A 120.0 ?
C11 C10 H10A 120.0 ?
C12 C11 C10 121.0(4) ?
C12 C11 H11A 119.5 ?
C10 C11 H11A 119.5 ?
C11 C12 C13 121.0(3) ?
C11 C12 H12A 119.5 ?
C13 C12 H12A 119.5 ?
C14 C13 C12 122.0(3) ?
C14 C13 C8 120.5(3) ?
C12 C13 C8 117.6(3) ?
C1 C14 C13 119.4(3) ?
C1 C14 C15 121.8(3) ?
C13 C14 C15 118.9(3) ?
N1 C15 C14 113.3(2) ?
N1 C15 H15A 108.9 ?
C14 C15 H15A 108.9 ?
N1 C15 H15B 108.9 ?
C14 C15 H15B 108.9 ?
H15A C15 H15B 107.7 ?
N1 C19 C20 114.0(2) ?
N1 C19 H19A 108.7 ?
C20 C19 H19A 108.7 ?
N1 C19 H19B 108.7 ?
C20 C19 H19B 108.7 ?
H19A C19 H19B 107.6 ?
C33 C20 C21 119.2(3) ?
C33 C20 C19 121.4(3) ?
C21 C20 C19 119.3(3) ?
C20 C21 C22 122.7(3) ?
C20 C21 C26 120.5(4) ?
C22 C21 C26 116.7(4) ?
C23 C22 C21 121.4(4) ?
C23 C22 H22A 119.3 ?
C21 C22 H22A 119.3 ?
C22 C23 C24 120.3(5) ?
C22 C23 H23A 119.9 ?
C24 C23 H23A 119.9 ?
C25 C24 C23 120.8(5) ?
C25 C24 H24A 119.6 ?
C23 C24 H24A 119.6 ?
C24 C25 C26 121.3(5) ?
C24 C25 H25A 119.4 ?
C26 C25 H25A 119.4 ?
C27 C26 C25 122.7(4) ?
C27 C26 C21 117.8(4) ?
C25 C26 C21 119.4(4) ?
C28 C27 C26 123.9(4) ?
C28 C27 H27A 118.1 ?
C26 C27 H27A 118.1 ?
C27 C28 C29 122.5(4) ?
C27 C28 C33 118.5(4) ?
C29 C28 C33 119.1(4) ?
C30 C29 C28 121.4(5) ?
C30 C29 H29A 119.3 ?
C28 C29 H29A 119.3 ?
C29 C30 C31 120.5(5) ?
C29 C30 H30A 119.7 ?
C31 C30 H30A 119.7 ?
C32 C31 C30 120.4(5) ?
C32 C31 H31A 119.8 ?
C30 C31 H31A 119.8 ?
C31 C32 C33 122.2(4) ?
C31 C32 H32A 118.9 ?
C33 C32 H32A 118.9 ?
C20 C33 C32 123.5(3) ?
C20 C33 C28 120.1(4) ?
C32 C33 C28 116.4(4) ?
C17 C16 N1 109.0(7) ?
C17 C16 H16A 109.9 ?
N1 C16 H16A 109.9 ?
C17 C16 H16B 109.9 ?
N1 C16 H16B 109.9 ?
H16A C16 H16B 108.3 ?
C16 C17 C18 110.9(9) ?
C16 C17 H17A 109.5 ?
C18 C17 H17A 109.5 ?
C16 C17 H17B 109.5 ?
C18 C17 H17B 109.5 ?
H17A C17 H17B 108.0 ?
C17 C18 H18A 109.5 ?
C17 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C17 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C16' C17' C18' 110.7(6) ?
C16' C17' H17C 109.5 ?
C18' C17' H17C 109.5 ?
C16' C17' H17D 109.5 ?
C18' C17' H17D 109.5 ?
H17C C17' H17D 108.1 ?
C17' C18' H18D 109.5 ?
C17' C18' H18E 109.5 ?
H18D C18' H18E 109.5 ?
C17' C18' H18F 109.5 ?
H18D C18' H18F 109.5 ?
H18E C18' H18F 109.5 ?
N1 C16' C17' 115.8(5) ?
N1 C16' H16C 108.3 ?
C17' C16' H16C 108.3 ?
N1 C16' H16D 108.3 ?
C17' C16' H16D 108.3 ?
H16C C16' H16D 107.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C16' 1.453(5) ?
N1 C15 1.465(4) y
N1 C19 1.469(3) y
N1 C16 1.508(7) y
C1 C14 1.405(4) ?
C1 C2 1.426(4) ?
C1 C6 1.431(4) ?
C2 C3 1.352(5) ?
C2 H2A 0.9300 ?
C3 C4 1.397(5) ?
C3 H3A 0.9300 ?
C4 C5 1.338(5) ?
C4 H4A 0.9300 ?
C5 C6 1.416(5) ?
C5 H5A 0.9300 ?
C6 C7 1.377(4) ?
C7 C8 1.381(5) ?
C7 H7A 0.9300 ?
C8 C9 1.411(5) ?
C8 C13 1.417(4) ?
C9 C10 1.335(5) ?
C9 H9A 0.9300 ?
C10 C11 1.404(5) ?
C10 H10A 0.9300 ?
C11 C12 1.347(4) ?
C11 H11A 0.9300 ?
C12 C13 1.413(4) ?
C12 H12A 0.9300 ?
C13 C14 1.409(4) ?
C14 C15 1.504(4) ?
C15 H15A 0.9700 ?
C15 H15B 0.9700 ?
C19 C20 1.505(4) ?
C19 H19A 0.9700 ?
C19 H19B 0.9700 ?
C20 C33 1.402(4) ?
C20 C21 1.409(5) ?
C21 C22 1.414(5) ?
C21 C26 1.431(5) ?
C22 C23 1.362(5) ?
C22 H22A 0.9300 ?
C23 C24 1.385(6) ?
C23 H23A 0.9300 ?
C24 C25 1.333(6) ?
C24 H24A 0.9300 ?
C25 C26 1.400(5) ?
C25 H25A 0.9300 ?
C26 C27 1.380(5) ?
C27 C28 1.363(5) ?
C27 H27A 0.9300 ?
C28 C29 1.423(5) ?
C28 C33 1.440(5) ?
C29 C30 1.323(6) ?
C29 H29A 0.9300 ?
C30 C31 1.397(6) ?
C30 H30A 0.9300 ?
C31 C32 1.357(5) ?
C31 H31A 0.9300 ?
C32 C33 1.408(5) ?
C32 H32A 0.9300 ?
C16 C17 1.503(9) ?
C16 H16A 0.9700 ?
C16 H16B 0.9700 ?
C17 C18 1.524(9) ?
C17 H17A 0.9700 ?
C17 H17B 0.9700 ?
C18 H18A 0.9600 ?
C18 H18B 0.9600 ?
C18 H18C 0.9600 ?
C17' C16' 1.496(7) ?
C17' C18' 1.521(7) ?
C17' H17C 0.9700 ?
C17' H17D 0.9700 ?
C18' H18D 0.9600 ?
C18' H18E 0.9600 ?
C18' H18F 0.9600 ?
C16' H16C 0.9700 ?
C16' H16D 0.9700 ?
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
C14 C1 C2 C3 179.1(3)
C6 C1 C2 C3 -0.8(5)
C1 C2 C3 C4 1.0(6)
C2 C3 C4 C5 -0.3(6)
C3 C4 C5 C6 -0.5(6)
C4 C5 C6 C7 -179.6(4)
C4 C5 C6 C1 0.6(6)
C14 C1 C6 C7 0.4(4)
C2 C1 C6 C7 -179.7(3)
C14 C1 C6 C5 -179.8(3)
C2 C1 C6 C5 0.1(4)
C5 C6 C7 C8 179.4(3)
C1 C6 C7 C8 -0.8(5)
C6 C7 C8 C9 -179.6(3)
C6 C7 C8 C13 1.0(5)
C7 C8 C9 C10 -180.0(4)
C13 C8 C9 C10 -0.5(5)
C8 C9 C10 C11 0.4(6)
C9 C10 C11 C12 -0.6(6)
C10 C11 C12 C13 0.9(6)
C11 C12 C13 C14 180.0(3)
C11 C12 C13 C8 -0.9(5)
C7 C8 C13 C14 -0.7(5)
C9 C8 C13 C14 179.9(3)
C7 C8 C13 C12 -179.8(3)
C9 C8 C13 C12 0.8(5)
C2 C1 C14 C13 179.9(3)
C6 C1 C14 C13 -0.2(4)
C2 C1 C14 C15 -0.3(5)
C6 C1 C14 C15 179.6(3)
C12 C13 C14 C1 179.4(3)
C8 C13 C14 C1 0.3(4)
C12 C13 C14 C15 -0.4(4)
C8 C13 C14 C15 -179.5(3)
C16' N1 C15 C14 -64.1(4)
C19 N1 C15 C14 168.7(2)
C16 N1 C15 C14 -78.1(6)
C1 C14 C15 N1 110.1(3)
C13 C14 C15 N1 -70.2(3)
C16' N1 C19 C20 165.7(4)
C15 N1 C19 C20 -64.3(4)
C16 N1 C19 C20 -174.7(6)
N1 C19 C20 C33 109.8(3)
N1 C19 C20 C21 -72.8(4)
C33 C20 C21 C22 179.3(3)
C19 C20 C21 C22 1.9(4)
C33 C20 C21 C26 0.9(4)
C19 C20 C21 C26 -176.6(3)
C20 C21 C22 C23 -177.5(3)
C26 C21 C22 C23 1.0(5)
C21 C22 C23 C24 -1.5(6)
C22 C23 C24 C25 0.7(7)
C23 C24 C25 C26 0.4(7)
C24 C25 C26 C27 178.6(4)
C24 C25 C26 C21 -0.9(6)
C20 C21 C26 C27 -0.8(5)
C22 C21 C26 C27 -179.4(3)
C20 C21 C26 C25 178.7(3)
C22 C21 C26 C25 0.1(5)
C25 C26 C27 C28 -179.3(4)
C21 C26 C27 C28 0.1(5)
C26 C27 C28 C29 -179.4(3)
C26 C27 C28 C33 0.5(5)
C27 C28 C29 C30 179.4(4)
C33 C28 C29 C30 -0.5(6)
C28 C29 C30 C31 1.2(7)
C29 C30 C31 C32 -0.9(7)
C30 C31 C32 C33 -0.1(6)
C21 C20 C33 C32 179.7(3)
C19 C20 C33 C32 -2.9(4)
C21 C20 C33 C28 -0.2(4)
C19 C20 C33 C28 177.2(3)
C31 C32 C33 C20 -179.1(3)
C31 C32 C33 C28 0.8(5)
C27 C28 C33 C20 -0.4(4)
C29 C28 C33 C20 179.4(3)
C27 C28 C33 C32 179.7(3)
C29 C28 C33 C32 -0.5(4)
C16' N1 C16 C17 26.3(14)
C15 N1 C16 C17 164.7(7)
C19 N1 C16 C17 -78.8(9)
N1 C16 C17 C18 -177.6(9)
C15 N1 C16' C17' 157.9(4)
C19 N1 C16' C17' -74.7(6)
C16 N1 C16' C17' -156(2)
C18' C17' C16' N1 175.5(5)
