#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/60/7216024.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_7216024
loop_
_publ_author_name
'Nakano, Kazunori'
'Sada, Kazuki'
'Aburaya, Kazuaki'
'Nakagawa, Kenji'
'Yoswathananont, Nungruethai'
'Tohnai, Norimitsu'
'Miyata, Mikiji'
_publ_section_title
;
 Guest-induced inversion of an asymmetric host layer in inclusion crystals
 of cholic acid
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              461
_journal_paper_doi               10.1039/b602862d
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'C33 H52 O5'
_chemical_formula_weight         528.77
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Thu Oct 28 11:10:29 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 111.245(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.9707(9)
_cell_length_b                   8.0690(5)
_cell_length_c                   16.220(1)
_cell_measurement_reflns_used    6626
_cell_measurement_temperature    198.2
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      4.0
_cell_volume                     1460.24(17)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9658
_diffrn_measured_fraction_theta_max 0.9658
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8356
_diffrn_reflns_theta_full        68.23
_diffrn_reflns_theta_max         68.23
_exptl_absorpt_coefficient_mu    0.620
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_correction_T_min  0.818
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.460
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.190
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.39
_refine_ls_abs_structure_Flack   -1.4(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.377
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     344
_refine_ls_number_reflns         2794
_refine_ls_R_factor_gt           0.0793
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.05000(Max(Fo²,0) + 2Fc²)/3)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1951
_reflns_number_gt                1906
_reflns_number_total             2794
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_duplicate_entry             7203345
_cod_data_source_file            b602862d.cif
_cod_data_source_block           1_2_4-Trimethylbenzene
_cod_original_cell_volume        1460.3(2)
_cod_original_formula_sum        'C33 H52 O5 '
_cod_database_code               7216024
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+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
O(1) O 1.1142(3) 0.526(2) 0.5974(2) 0.048(1) Uani 1.00 d
O(2) O 0.7529(3) 0.753(2) 0.3800(2) 0.0417(9) Uani 1.00 d
O(3) O 0.6952(3) 0.218(2) 0.2878(2) 0.049(1) Uani 1.00 d
O(4) O 0.2928(6) 0.443(2) -0.1781(3) 0.081(2) Uani 1.00 d
O(5) O 0.2245(4) 0.189(2) -0.2249(2) 0.056(1) Uani 1.00 d
C(1) C 0.8300(5) 0.319(2) 0.5958(3) 0.039(1) Uani 1.00 d
C(2) C 0.9524(5) 0.341(2) 0.5856(3) 0.040(1) Uani 1.00 d
C(3) C 1.0029(5) 0.509(2) 0.6142(3) 0.041(1) Uani 1.00 d
C(4) C 0.9153(4) 0.638(2) 0.5637(3) 0.039(1) Uani 1.00 d
C(5) C 0.7893(4) 0.626(2) 0.5698(3) 0.036(1) Uani 1.00 d
C(6) C 0.7070(5) 0.764(2) 0.5163(3) 0.040(1) Uani 1.00 d
C(7) C 0.6594(5) 0.735(2) 0.4160(3) 0.041(1) Uani 1.00 d
C(8) C 0.6053(4) 0.562(2) 0.3926(3) 0.036(1) Uani 1.00 d
C(9) C 0.6902(4) 0.425(2) 0.4434(3) 0.034(1) Uani 1.00 d
C(10) C 0.7345(5) 0.448(2) 0.5452(3) 0.039(1) Uani 1.00 d
C(11) C 0.6327(4) 0.257(2) 0.4113(3) 0.038(1) Uani 1.00 d
C(12) C 0.5904(5) 0.227(2) 0.3110(3) 0.039(1) Uani 1.00 d
C(13) C 0.5026(5) 0.363(2) 0.2614(3) 0.037(1) Uani 1.00 d
C(14) C 0.5656(4) 0.534(2) 0.2941(3) 0.037(1) Uani 1.00 d
C(15) C 0.4849(5) 0.658(2) 0.2315(3) 0.045(1) Uani 1.00 d
C(16) C 0.4373(5) 0.573(2) 0.1426(3) 0.051(1) Uani 1.00 d
C(17) C 0.4737(5) 0.385(2) 0.1595(3) 0.045(1) Uani 1.00 d
C(18) C 0.3850(5) 0.348(2) 0.2783(3) 0.043(1) Uani 1.00 d
C(19) C 0.6297(5) 0.431(2) 0.5780(3) 0.042(1) Uani 1.00 d
C(20) C 0.3838(5) 0.269(2) 0.0936(3) 0.048(1) Uani 1.00 d
C(21) C 0.4173(8) 0.090(2) 0.1100(4) 0.072(2) Uani 1.00 d
C(22) C 0.3723(6) 0.321(2) -0.0002(3) 0.057(2) Uani 1.00 d
C(23) C 0.2732(7) 0.244(2) -0.0738(3) 0.072(2) Uani 1.00 d
C(24) C 0.2636(5) 0.305(2) -0.1649(4) 0.055(1) Uani 1.00 d
C(25) C 0.993(1) 0.433(3) 0.1373(8) 0.110(4) Uani 1.00 d
C(26) C 0.889(2) 0.365(3) 0.0830(8) 0.157(5) Uani 1.00 d
C(27) C 0.857(1) 0.369(2) -0.0084(8) 0.117(4) Uani 1.00 d
C(28) C 0.933(1) 0.426(3) -0.0488(7) 0.145(5) Uani 1.00 d
C(29) C 1.032(1) 0.513(3) 0.0035(10) 0.152(6) Uani 1.00 d
C(30) C 1.064(1) 0.508(3) 0.0986(8) 0.120(4) Uani 1.00 d
C(31) C 1.028(1) 0.430(3) 0.2341(8) 0.154(6) Uani 1.00 d
C(32) C 0.799(2) 0.292(3) 0.121(2) 0.22(1) Uani 1.00 d
C(33) C 0.899(2) 0.446(4) -0.1478(9) 0.24(1) Uani 1.00 d
H(1) H 0.7999 0.2088 0.5742 0.0465 Uiso 1.00 calc
H(2) H 0.8413 0.3233 0.6566 0.0465 Uiso 1.00 calc
H(3) H 1.0064 0.2579 0.6213 0.0494 Uiso 1.00 calc
H(4) H 0.9425 0.3224 0.5256 0.0494 Uiso 1.00 calc
H(5) H 1.0178 0.5221 0.6758 0.0503 Uiso 1.00 calc
H(6) H 0.9482 0.7422 0.5848 0.0473 Uiso 1.00 calc
H(7) H 0.9064 0.6262 0.5030 0.0473 Uiso 1.00 calc
H(8) H 0.7999 0.6419 0.6303 0.0437 Uiso 1.00 calc
H(9) H 0.6414 0.7747 0.5355 0.0491 Uiso 1.00 calc
H(10) H 0.7522 0.8651 0.5288 0.0491 Uiso 1.00 calc
H(11) H 0.5990 0.8148 0.3895 0.0489 Uiso 1.00 calc
H(12) H 0.5357 0.5528 0.4077 0.0445 Uiso 1.00 calc
H(13) H 0.7597 0.4298 0.4271 0.0417 Uiso 1.00 calc
H(14) H 0.6896 0.1707 0.4392 0.0467 Uiso 1.00 calc
H(15) H 0.5654 0.2438 0.4286 0.0467 Uiso 1.00 calc
H(16) H 0.5488 0.1240 0.2979 0.0443 Uiso 1.00 calc
H(17) H 0.6379 0.5286 0.2806 0.0456 Uiso 1.00 calc
H(18) H 0.4219 0.6846 0.2506 0.0556 Uiso 1.00 calc
H(19) H 0.5293 0.7519 0.2286 0.0556 Uiso 1.00 calc
H(20) H 0.3520 0.5812 0.1171 0.0611 Uiso 1.00 calc
H(21) H 0.4709 0.6184 0.1029 0.0611 Uiso 1.00 calc
H(22) H 0.5471 0.3720 0.1502 0.0566 Uiso 1.00 calc
H(23) H 0.3985 0.3561 0.3394 0.0529 Uiso 1.00 calc
H(24) H 0.3292 0.4309 0.2468 0.0529 Uiso 1.00 calc
H(25) H 0.3483 0.2409 0.2577 0.0529 Uiso 1.00 calc
H(26) H 0.6565 0.4523 0.6397 0.0525 Uiso 1.00 calc
H(27) H 0.5692 0.5106 0.5478 0.0525 Uiso 1.00 calc
H(28) H 0.5954 0.3232 0.5663 0.0525 Uiso 1.00 calc
H(29) H 0.3081 0.2813 0.0998 0.0580 Uiso 1.00 calc
H(30) H 0.4239 0.0546 0.1670 0.0879 Uiso 1.00 calc
H(31) H 0.3608 0.0201 0.0666 0.0879 Uiso 1.00 calc
H(32) H 0.4950 0.0704 0.1042 0.0879 Uiso 1.00 calc
H(33) H 0.3609 0.4371 -0.0043 0.0657 Uiso 1.00 calc
H(34) H 0.4447 0.2928 -0.0078 0.0657 Uiso 1.00 calc
H(35) H 0.2824 0.1259 -0.0709 0.0903 Uiso 1.00 calc
H(36) H 0.1981 0.2687 -0.0664 0.0903 Uiso 1.00 calc
H(37) H 1.1656 0.5919 0.6392 0.0777 Uiso 1.00 calc
H(38) H 0.7963 0.8507 0.3838 0.0777 Uiso 1.00 calc
H(39) H 0.7001 0.1119 0.2520 0.2204 Uiso 1.00 calc
H(40) H 0.2513 0.2211 -0.2771 0.0777 Uiso 1.00 calc
H(41) H 0.7817 0.3232 -0.0437 0.1567 Uiso 1.00 calc
H(42) H 1.0747 0.5856 -0.0237 0.1666 Uiso 1.00 calc
H(43) H 1.1469 0.5359 0.1374 0.1422 Uiso 1.00 calc
H(44) H 1.0302 0.3028 0.2494 0.2085 Uiso 1.00 calc
H(45) H 1.0996 0.4694 0.2660 0.2085 Uiso 1.00 calc
H(46) H 0.9638 0.4676 0.2499 0.2085 Uiso 1.00 calc
H(47) H 0.7237 0.3552 0.1005 0.2194 Uiso 1.00 calc
H(48) H 0.7777 0.1794 0.1038 0.2194 Uiso 1.00 calc
H(49) H 0.8290 0.2976 0.1842 0.2194 Uiso 1.00 calc
H(50) H 0.8728 0.5493 -0.1700 0.2282 Uiso 1.00 calc
H(51) H 0.9528 0.3976 -0.1692 0.2282 Uiso 1.00 calc
H(52) H 0.8207 0.3714 -0.1775 0.2282 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 0.018 0.009
;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)
;
O O 0.049 0.032
;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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C(2) C(1) C(10) 114.4(5) 1_555 1_555 yes
C(1) C(2) C(3) 111.5(6) 1_555 1_555 yes
O(1) C(3) C(2) 108.8(6) 1_555 1_555 yes
O(1) C(3) C(4) 109.7(6) 1_555 1_555 yes
C(2) C(3) C(4) 109.9(5) 1_555 1_555 yes
C(3) C(4) C(5) 115.2(6) 1_555 1_555 yes
C(4) C(5) C(6) 111.0(5) 1_555 1_555 yes
C(4) C(5) C(10) 111.6(5) 1_555 1_555 yes
C(6) C(5) C(10) 113.4(5) 1_555 1_555 yes
C(5) C(6) C(7) 114.0(5) 1_555 1_555 yes
O(2) C(7) C(6) 111.6(5) 1_555 1_555 yes
O(2) C(7) C(8) 108.2(5) 1_555 1_555 yes
C(6) C(7) C(8) 111.4(6) 1_555 1_555 yes
C(7) C(8) C(9) 112.9(5) 1_555 1_555 yes
C(7) C(8) C(14) 110.1(5) 1_555 1_555 yes
C(9) C(8) C(14) 110.8(5) 1_555 1_555 yes
C(8) C(9) C(10) 113.0(5) 1_555 1_555 yes
C(8) C(9) C(11) 109.3(4) 1_555 1_555 yes
C(10) C(9) C(11) 114.1(5) 1_555 1_555 yes
C(1) C(10) C(5) 108.8(5) 1_555 1_555 yes
C(1) C(10) C(9) 112.7(5) 1_555 1_555 yes
C(1) C(10) C(19) 107.1(5) 1_555 1_555 yes
C(5) C(10) C(9) 109.3(5) 1_555 1_555 yes
C(5) C(10) C(19) 108.2(6) 1_555 1_555 yes
C(9) C(10) C(19) 110.6(5) 1_555 1_555 yes
C(9) C(11) C(12) 115.9(5) 1_555 1_555 yes
O(3) C(12) C(11) 107.5(5) 1_555 1_555 yes
O(3) C(12) C(13) 113.3(5) 1_555 1_555 yes
C(11) C(12) C(13) 109.9(5) 1_555 1_555 yes
C(12) C(13) C(14) 107.5(5) 1_555 1_555 yes
C(12) C(13) C(17) 118.7(6) 1_555 1_555 yes
C(12) C(13) C(18) 110.3(5) 1_555 1_555 yes
C(14) C(13) C(17) 98.8(5) 1_555 1_555 yes
C(14) C(13) C(18) 111.7(6) 1_555 1_555 yes
C(17) C(13) C(18) 109.4(5) 1_555 1_555 yes
C(8) C(14) C(13) 114.7(5) 1_555 1_555 yes
C(8) C(14) C(15) 119.6(6) 1_555 1_555 yes
C(13) C(14) C(15) 104.2(5) 1_555 1_555 yes
C(14) C(15) C(16) 105.6(6) 1_555 1_555 yes
C(15) C(16) C(17) 106.7(5) 1_555 1_555 yes
C(13) C(17) C(16) 103.5(5) 1_555 1_555 yes
C(13) C(17) C(20) 119.7(6) 1_555 1_555 yes
C(16) C(17) C(20) 112.8(5) 1_555 1_555 yes
C(17) C(20) C(21) 113.1(6) 1_555 1_555 yes
C(17) C(20) C(22) 108.2(7) 1_555 1_555 yes
C(21) C(20) C(22) 111.2(7) 1_555 1_555 yes
C(20) C(22) C(23) 116.1(7) 1_555 1_555 yes
C(22) C(23) C(24) 113.6(7) 1_555 1_555 yes
O(4) C(24) O(5) 125.2(7) 1_555 1_555 yes
O(4) C(24) C(23) 123.2(7) 1_555 1_555 yes
O(5) C(24) C(23) 111.6(7) 1_555 1_555 yes
C(26) C(25) C(30) 117(1) 1_555 1_555 yes
C(26) C(25) C(31) 122(1) 1_555 1_555 yes
C(30) C(25) C(31) 120(1) 1_555 1_555 yes
C(25) C(26) C(27) 121(2) 1_555 1_555 yes
C(25) C(26) C(32) 120(1) 1_555 1_555 yes
C(27) C(26) C(32) 118(1) 1_555 1_555 yes
C(26) C(27) C(28) 122(1) 1_555 1_555 yes
C(27) C(28) C(29) 116(1) 1_555 1_555 yes
C(27) C(28) C(33) 124(1) 1_555 1_555 yes
C(29) C(28) C(33) 115(2) 1_555 1_555 yes
C(28) C(29) C(30) 118(1) 1_555 1_555 yes
C(25) C(30) C(29) 122(1) 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
O(1) C(3) 1.460(8) yes
O(2) C(7) 1.446(7) yes
O(3) C(12) 1.436(8) yes
O(4) C(24) 1.20(1) yes
O(5) C(24) 1.308(10) yes
C(1) C(2) 1.543(9) yes
C(1) C(10) 1.546(9) yes
C(2) C(3) 1.487(10) yes
C(3) C(4) 1.499(10) yes
C(4) C(5) 1.550(8) yes
C(5) C(6) 1.530(9) yes
C(5) C(10) 1.57(1) yes
C(6) C(7) 1.534(8) yes
C(7) C(8) 1.53(1) yes
C(8) C(9) 1.528(8) yes
C(8) C(14) 1.509(8) yes
C(9) C(10) 1.551(8) yes
C(9) C(11) 1.524(10) yes
C(10) C(19) 1.536(9) yes
C(11) C(12) 1.538(7) yes
C(12) C(13) 1.534(8) yes
C(13) C(14) 1.568(9) yes
C(13) C(17) 1.571(8) yes
C(13) C(18) 1.534(9) yes
C(14) C(15) 1.502(9) yes
C(15) C(16) 1.511(10) yes
C(16) C(17) 1.57(1) yes
C(17) C(20) 1.531(9) yes
C(20) C(21) 1.50(1) yes
C(20) C(22) 1.536(9) yes
C(22) C(23) 1.484(10) yes
C(23) C(24) 1.52(1) yes
C(25) C(26) 1.35(2) yes
C(25) C(30) 1.37(2) yes
C(25) C(31) 1.47(2) yes
C(26) C(27) 1.39(2) yes
C(26) C(32) 1.54(3) yes
C(27) C(28) 1.38(2) yes
C(28) C(29) 1.38(2) yes
C(28) C(33) 1.52(2) yes
C(29) C(30) 1.45(2) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
O(1) O(2) 2.658(7) 2_746
O(1) O(3) 2.829(7) 2_756
O(1) O(4) 3.555(7) 1_656
O(2) O(5) 2.677(6) 2_655
O(2) C(2) 3.439(8) 2_756
O(2) C(24) 3.447(8) 2_655
O(2) O(4) 3.473(7) 2_655
O(2) C(3) 3.548(9) 2_756
O(3) O(4) 2.881(8) 2_645
O(3) C(32) 3.41(2) .
O(4) C(32) 3.27(2) 2_655
O(4) C(21) 3.45(1) 2_655
O(5) C(14) 3.345(8) 2_645
O(5) C(15) 3.527(9) 2_645
C(21) C(27) 3.57(2) 2_645
C(23) C(26) 3.60(2) 2_645
C(26) C(29) 3.44(3) 2_745
C(27) C(29) 3.15(3) 2_745
C(27) C(30) 3.53(2) 2_745
C(28) C(29) 3.40(4) 2_745
C(28) C(30) 3.47(3) 2_745
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) C(3) C(2) C(1) -176.2(5) 1_555 1_555 1_555 1_555 yes
O(1) C(3) C(4) C(5) 175.5(5) 1_555 1_555 1_555 1_555 yes
O(2) C(7) C(6) C(5) -70.8(8) 1_555 1_555 1_555 1_555 yes
O(2) C(7) C(8) C(9) 70.6(6) 1_555 1_555 1_555 1_555 yes
O(2) C(7) C(8) C(14) -53.9(6) 1_555 1_555 1_555 1_555 yes
O(3) C(12) C(11) C(9) 67.6(7) 1_555 1_555 1_555 1_555 yes
O(3) C(12) C(13) C(14) -66.8(6) 1_555 1_555 1_555 1_555 yes
O(3) C(12) C(13) C(17) 44.0(8) 1_555 1_555 1_555 1_555 yes
O(3) C(12) C(13) C(18) 171.2(5) 1_555 1_555 1_555 1_555 yes
O(4) C(24) C(23) C(22) -29(1) 1_555 1_555 1_555 1_555 yes
O(5) C(24) C(23) C(22) 147.7(8) 1_555 1_555 1_555 1_555 yes
C(1) C(2) C(3) C(4) -56.0(7) 1_555 1_555 1_555 1_555 yes
C(1) C(10) C(5) C(4) 47.8(6) 1_555 1_555 1_555 1_555 yes
C(1) C(10) C(5) C(6) 174.1(5) 1_555 1_555 1_555 1_555 yes
C(1) C(10) C(9) C(8) -174.2(5) 1_555 1_555 1_555 1_555 yes
C(1) C(10) C(9) C(11) 60.0(7) 1_555 1_555 1_555 1_555 yes
C(2) C(1) C(10) C(5) -51.6(6) 1_555 1_555 1_555 1_555 yes
C(2) C(1) C(10) C(9) 69.9(7) 1_555 1_555 1_555 1_555 yes
C(2) C(1) C(10) C(19) -168.3(5) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(5) 55.9(7) 1_555 1_555 1_555 1_555 yes
C(3) C(2) C(1) C(10) 57.1(7) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(5) C(6) 179.9(5) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(5) C(10) -52.5(7) 1_555 1_555 1_555 1_555 yes
C(4) C(5) C(6) C(7) 75.9(7) 1_555 1_555 1_555 1_555 yes
C(4) C(5) C(10) C(9) -75.7(6) 1_555 1_555 1_555 1_555 yes
C(4) C(5) C(10) C(19) 163.9(5) 1_555 1_555 1_555 1_555 yes
C(5) C(6) C(7) C(8) 50.3(7) 1_555 1_555 1_555 1_555 yes
C(5) C(10) C(9) C(8) -53.1(7) 1_555 1_555 1_555 1_555 yes
C(5) C(10) C(9) C(11) -178.8(5) 1_555 1_555 1_555 1_555 yes
C(6) C(5) C(10) C(9) 50.6(6) 1_555 1_555 1_555 1_555 yes
C(6) C(5) C(10) C(19) -69.9(6) 1_555 1_555 1_555 1_555 yes
C(6) C(7) C(8) C(9) -52.4(7) 1_555 1_555 1_555 1_555 yes
C(6) C(7) C(8) C(14) -176.9(5) 1_555 1_555 1_555 1_555 yes
C(7) C(6) C(5) C(10) -50.7(7) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(9) C(10) 55.7(7) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(9) C(11) -176.0(5) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(14) C(13) -177.1(5) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(14) C(15) -52.2(7) 1_555 1_555 1_555 1_555 yes
C(8) C(9) C(10) C(19) 66.0(7) 1_555 1_555 1_555 1_555 yes
C(8) C(9) C(11) C(12) 53.8(6) 1_555 1_555 1_555 1_555 yes
C(8) C(14) C(13) C(12) -57.5(7) 1_555 1_555 1_555 1_555 yes
C(8) C(14) C(13) C(17) 178.6(5) 1_555 1_555 1_555 1_555 yes
C(8) C(14) C(13) C(18) 63.6(7) 1_555 1_555 1_555 1_555 yes
C(8) C(14) C(15) C(16) -165.5(6) 1_555 1_555 1_555 1_555 yes
C(9) C(8) C(14) C(13) 57.3(7) 1_555 1_555 1_555 1_555 yes
C(9) C(8) C(14) C(15) -177.9(5) 1_555 1_555 1_555 1_555 yes
C(9) C(11) C(12) C(13) -56.2(7) 1_555 1_555 1_555 1_555 yes
C(10) C(9) C(8) C(14) 179.7(5) 1_555 1_555 1_555 1_555 yes
C(10) C(9) C(11) C(12) -178.5(5) 1_555 1_555 1_555 1_555 yes
C(11) C(9) C(8) C(14) -52.0(6) 1_555 1_555 1_555 1_555 yes
C(11) C(9) C(10) C(19) -59.8(7) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(13) C(14) 53.5(7) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(13) C(17) 164.3(6) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(13) C(18) -68.5(7) 1_555 1_555 1_555 1_555 yes
C(12) C(13) C(14) C(15) 169.9(5) 1_555 1_555 1_555 1_555 yes
C(12) C(13) C(17) C(16) -153.8(6) 1_555 1_555 1_555 1_555 yes
C(12) C(13) C(17) C(20) 79.6(8) 1_555 1_555 1_555 1_555 yes
C(13) C(14) C(15) C(16) -35.7(7) 1_555 1_555 1_555 1_555 yes
C(13) C(17) C(16) C(15) 18.6(7) 1_555 1_555 1_555 1_555 yes
C(13) C(17) C(20) C(21) -57.3(9) 1_555 1_555 1_555 1_555 yes
C(13) C(17) C(20) C(22) 179.1(6) 1_555 1_555 1_555 1_555 yes
C(14) C(13) C(17) C(16) -38.3(6) 1_555 1_555 1_555 1_555 yes
C(14) C(13) C(17) C(20) -164.9(6) 1_555 1_555 1_555 1_555 yes
C(14) C(15) C(16) C(17) 10.4(7) 1_555 1_555 1_555 1_555 yes
C(15) C(14) C(13) C(17) 46.0(6) 1_555 1_555 1_555 1_555 yes
C(15) C(14) C(13) C(18) -69.0(6) 1_555 1_555 1_555 1_555 yes
C(15) C(16) C(17) C(20) 149.4(6) 1_555 1_555 1_555 1_555 yes
C(16) C(17) C(13) C(18) 78.5(7) 1_555 1_555 1_555 1_555 yes
C(16) C(17) C(20) C(21) -179.3(7) 1_555 1_555 1_555 1_555 yes
C(16) C(17) C(20) C(22) 57.1(8) 1_555 1_555 1_555 1_555 yes
C(17) C(20) C(22) C(23) -169.3(8) 1_555 1_555 1_555 1_555 yes
C(18) C(13) C(17) C(20) -48.0(9) 1_555 1_555 1_555 1_555 yes
C(20) C(22) C(23) C(24) 177.7(8) 1_555 1_555 1_555 1_555 yes
C(21) C(20) C(22) C(23) 66(1) 1_555 1_555 1_555 1_555 yes
C(25) C(26) C(27) C(28) 6(3) 1_555 1_555 1_555 1_555 yes
C(25) C(30) C(29) C(28) -6(3) 1_555 1_555 1_555 1_555 yes
C(26) C(25) C(30) C(29) -1(3) 1_555 1_555 1_555 1_555 yes
C(26) C(27) C(28) C(29) -13(3) 1_555 1_555 1_555 1_555 yes
C(26) C(27) C(28) C(33) -174(2) 1_555 1_555 1_555 1_555 yes
C(27) C(26) C(25) C(30) 0(2) 1_555 1_555 1_555 1_555 yes
C(27) C(26) C(25) C(31) 179(1) 1_555 1_555 1_555 1_555 yes
C(27) C(28) C(29) C(30) 12(3) 1_555 1_555 1_555 1_555 yes
C(28) C(27) C(26) C(32) -177(1) 1_555 1_555 1_555 1_555 yes
C(29) C(30) C(25) C(31) 179(1) 1_555 1_555 1_555 1_555 yes
C(30) C(25) C(26) C(32) -174(1) 1_555 1_555 1_555 1_555 yes
C(30) C(29) C(28) C(33) 175(2) 1_555 1_555 1_555 1_555 yes
C(31) C(25) C(26) C(32) 4(2) 1_555 1_555 1_555 1_555 yes
