#------------------------------------------------------------------------------
#$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $
#$Revision: 208466 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/11/2001182.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_2001182
loop_
_publ_author_name
'Peeters, O. M.'
'Blaton, N. M.'
'De Ranter, C. J.'
_publ_section_title
;Structure and absolute configuration of nebivolol:
 (+-)-(R*{S*[S*-(S*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol)
 (nebivolol) hydrochloride (I) and
 (+)-(S{R[R-(R)]})-nebivolol hydrobromide
 dihydrate (II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2154
_journal_page_last               2157
_journal_paper_doi               10.1107/S0108270193006687
_journal_volume                  49
_journal_year                    1993
_chemical_formula_analytical     'C22 H26 F2 NO4 +. Br1 -. 2H2 O1'
_chemical_formula_moiety         'C22 H30 Br1 F2 N1 O6'
_chemical_formula_sum            'C22 H30 Br F2 N O6'
_chemical_formula_weight         522.38
_chemical_name_systematic
;
(+)-(S{R[R-(R)]})-α,α'-[Iminobis(methylene-6-fluoro-3,4-dihydro
-2H-1-benzopyran-2-methanol)]
Hydrobromide Dihydrate
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.841(4)
_cell_length_b                   14.617(7)
_cell_length_c                   33.460(10)
_cell_measurement_reflns_used    28
_cell_measurement_temperature    293
_cell_measurement_theta_max      46
_cell_measurement_theta_min      16
_cell_volume                     2368(2)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe & Cie, 1985)'
_computing_data_reduction        'REDU4 (Stoe & Cie, 1985)'
_computing_molecular_graphics    'PLUTO (Motherwell & Clegg, 1978)'
_computing_publication_material  'PARST (Nardelli, 1983a)'
_computing_structure_refinement
'NRCVAX (Gabe, Le Page, Charland, Lee & White, 1989)'
_computing_structure_solution    'DIRDIF92 (Beurskens et al., 1992)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Stoe STADI4 four-circle diffractometer  '
_diffrn_measurement_method       2θ/ω
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  .050
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            6139
_diffrn_reflns_reduction_process
;
Decay and Lp corrected intensities were averaged, except for Friedel
pairs.
;
_diffrn_reflns_theta_max         59.18
_diffrn_standards_decay_%        9.1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.835
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_description       needle
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          .38
_exptl_crystal_size_mid          .06
_exptl_crystal_size_min          .04
_refine_diff_density_max         .54
_refine_diff_density_min         -.57
_refine_ls_abs_structure_details
;
The Bijvoet coefficient was 0.84(1) for the 101 most significant
Bijvoet pairs. With more stringent selection parameters it becomes 1.
;
_refine_ls_extinction_method     'none                                    '
_refine_ls_goodness_of_fit_obs   1.53
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         1088
_refine_ls_R_factor_all          .1867
_refine_ls_R_factor_obs          .0658
_refine_ls_shift/esd_max         .092
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(σ²(F) + 0.00200F²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .1214
_refine_ls_wR_factor_obs         .0833
_reflns_number_observed          1088
_reflns_number_total             2840
_cod_data_source_file            na1052.cif
_cod_data_source_block           2
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 'Orthorhombic' changed to
'orthorhombic' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/(\s^2^(F) + 0.00200F^2^)'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/(\s^2^(F) +
0.00200F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2368.(2)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C22 H30 Br1 F2 N1 O6'
_cod_database_code               2001182
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z
4 -x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_type_symbol
_atom_site_attached_hydrogens
Br -.1944(7) 1.0294(3) .21313(8) .0840(10) aniso . . Br 0
N1 .251(5) .9300(10) .3401(4) .058(9) aniso . . N 0
C2 .156(5) 1.020(2) .3562(5) .042(8) aniso . . C 0
C3 .008(5) 1.074(2) .3252(6) .040(10) aniso . . C 0
O4 -.226(3) 1.0250(10) .3101(3) .041(5) aniso . . O 1
C5 -.083(5) 1.168(2) .3445(7) .041(9) aniso . . C 0
O6 -.253(3) 1.1410(10) .3790(4) .032(5) aniso . . O 0
C7 -.399(5) 1.208(2) .3963(5) .030(10) aniso . . C 0
C8 -.466(6) 1.295(2) .3796(8) .040(10) aniso . . C 0
C9 -.327(6) 1.317(2) .3408(7) .050(10) aniso . . C 0
C10 -.249(5) 1.229(2) .3177(7) .036(8) aniso . . C 0
C11 -.510(5) 1.183(2) .4317(8) .040(10) aniso . . C 0
C12 -.700(9) 1.242(2) .4533(7) .070(10) aniso . . C 0
C13 -.749(7) 1.324(2) .4362(8) .070(10) aniso . . C 0
C14 -.624(8) 1.353(2) .4000(10) .08(2) aniso . . C 0
F15 -.913(4) 1.3830(10) .4556(5) .095(8) aniso . . F 0
C2' .401(6) .874(2) .3701(6) .060(10) aniso . . C 0
C3' .511(6) .7880(10) .3525(6) .033(9) aniso . . C 0
O4' .735(4) .8070(10) .3284(4) .046(7) aniso . . O 1
C5' .618(5) .723(2) .3872(7) .040(10) aniso . . C 0
O6' .378(4) .7210(10) .4163(4) .041(6) aniso . . O 0
C7' .420(6) .657(2) .4478(5) .040(10) aniso . . C 0
C8' .592(6) .586(2) .4468(7) .040(10) aniso . . C 0
C9' .772(5) .5700(10) .4102(6) .032(8) aniso . . C 0
C10' .661(4) .625(2) .3741(6) .032(8) aniso . . C 0
C11' .230(5) .6770(10) .4798(6) .036(9) aniso . . C 0
C12' .237(7) .621(2) .5121(7) .070(10) aniso . . C 0
C13' .427(8) .549(2) .5122(7) .070(10) aniso . . C 0
C14' .617(5) .528(2) .4805(7) .047(9) aniso . . C 0
F15' .458(4) .4930(10) .5453(4) .096(7) aniso . . F 0
O1 .710(4) .6810(10) .2691(4) .079(8) aniso . . O 2
O2 .295(4) .9030(10) .2588(4) .099(9) aniso . . O 2
H1A .075 .892 .3298 .067 iso calc N1 H 0
H1B .391 .944 .3160 .067 iso calc N1 H 0
H2A .327 1.057 .3674 .049 iso calc C2 H 0
H2B .010 1.006 .3805 .049 iso calc C2 H 0
H3 .153 1.090 .3019 .045 iso calc C3 H 0
H5 .104 1.205 .3556 .048 iso calc C5 H 0
H9A -.140 1.356 .3471 .058 iso calc C9 H 0
H9B -.462 1.357 .3225 .058 iso calc C9 H 0
H10A -.129 1.248 .2923 .051 iso calc C10 H 0
H10B -.434 1.195 .3094 .051 iso calc C10 H 0
H11 -.460 1.116 .4448 .049 iso calc C11 H 0
H12 -.785 1.220 .4818 .082 iso calc C12 H 0
H14 -.665 1.423 .3914 .105 iso calc C14 H 0
H2'A .260 .856 .3946 .072 iso calc C2' H 0
H2'B .574 .910 .3821 .072 iso calc C2' H 0
H3' .342 .752 .3366 .040 iso calc C3' H 0
H5' .802 .751 .4011 .044 iso calc C5' H 0
H9'A .981 .589 .4163 .043 iso calc C9' H 0
H9B' .765 .497 .4024 .043 iso calc C9' H 0
H10'A .470 .597 .3642 .043 iso calc C10' H 0
H10'B .812 .623 .3505 .043 iso calc C10' H 0
H11' .088 .734 .4784 .046 iso calc C11' H 0
H12' .099 .629 .5371 .071 iso calc C12' H 0
H14' .765 .473 .4827 .056 iso calc C14' H 0
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Br Bromine -.767 1.283 'IntTabIV  Tables 2.2B 2.3.1'
N Nitrogen .029 .018 'IntTabIV  Tables 2.2B 2.3.1'
C Carbon .017 .009 'IntTabIV  Tables 2.2B 2.3.1'
O Oxygen .047 .032 'IntTabIV  Tables 2.2B 2.3.1'
F Fluorine .069 .053 'IntTabIV  Tables 2.2B 2.3.1'
H Hydrogen .000 .000 'IntTabIV  Tables 2.2B'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
2 0 0
1 0 3
0 2 -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
H1A N1 H1B 111(2) no
C2' N1 H1B 108(2) no
C2' N1 H1A 109(2) no
C2 N1 H1B 108(2) no
C2 N1 H1A 109(2) no
C2 N1 C2' 113(2) yes
N1 C2 H2B 108(2) no
N1 C2 H2A 110(2) no
N1 C2 C3 111(2) yes
H2A C2 H2B 110(2) no
C3 C2 H2B 107(2) no
C3 C2 H2A 110(2) no
C2 C3 H3 108(2) no
C2 C3 C5 108(2) yes
C2 C3 O4 111(2) yes
C5 C3 H3 107(2) no
O4 C3 H3 112(2) no
O4 C3 C5 111(2) yes
C3 C5 H5 109(2) no
C3 C5 C10 115(2) yes
C3 C5 O6 104(2) yes
C10 C5 H5 111(2) no
O6 C5 H5 109(2) no
O6 C5 C10 109(2) yes
C5 O6 C7 116(2) yes
O6 C7 C11 113(2) yes
O6 C7 C8 127(2) yes
C8 C7 C11 120(2) yes
C7 C8 C14 119(2) yes
C7 C8 C9 115(2) yes
C9 C8 C14 125(2) yes
C8 C9 H9B 110(2) no
C8 C9 H9A 108(2) no
C8 C9 C10 111(2) yes
H9A C9 H9B 110(2) no
C10 C9 H9B 108(2) no
C10 C9 H9A 109(2) no
C5 C10 C9 109(2) yes
C9 C10 H10B 109(2) no
C9 C10 H10A 109(2) no
C5 C10 H10B 109(2) no
C5 C10 H10A 110(2) no
H10A C10 H10B 112(2) no
C7 C11 H11 121(2) no
C7 C11 C12 122(2) yes
C12 C11 H11 118(2) no
C11 C12 H12 121(3) no
C11 C12 C13 115(2) yes
C13 C12 H12 124(3) no
C12 C13 F15 118(3) yes
C12 C13 C14 124(3) yes
C14 C13 F15 118(3) yes
C8 C14 C13 120(3) yes
C13 C14 H14 116(3) no
C8 C14 H14 124(3) no
N1 C2' H2'B 111(2) no
N1 C2' H2'A 109(2) no
N1 C2' C3' 112(2) yes
H2'A C2' H2'B 109(2) no
C3' C2' H2'B 107(2) no
C3' C2' H2'A 108(2) no
C2' C3' H3' 109(2) no
C2' C3' C5' 109(2) yes
C2' C3' O4' 109(2) yes
C5' C3' H3' 108(2) no
O4' C3' H3' 113(2) no
O4' C3' C5' 107(2) yes
C3' C5' H5' 110(2) no
C3' C5' C10' 114(2) yes
C3' C5' O6' 103(2) yes
C10' C5' H5' 112(2) no
O6' C5' H5' 111(2) no
O6' C5' C10' 106(2) yes
C5' O6' C7' 112(2) yes
O6' C7' C11' 109(2) yes
O6' C7' C8' 126(2) yes
C8' C7' C11' 125(2) yes
C7' C8' C14' 120(2) yes
C7' C8' C9' 120(2) yes
C9' C8' C14' 120(2) yes
C8' C9' H9B' 109(2) no
C8' C9' H9'A 110(2) no
C8' C9' C10' 111(2) yes
H9'A C9' H9B' 109(2) no
C10' C9' H9B' 108(2) no
C10' C9' H9'A 110(2) no
C5' C10' C9' 108(2) yes
C9' C10' H10' 109(2) no
C9' C10' H10' 110(2) no
C5' C10' H10' 109(2) no
C5' C10' H10' 109(2) no
H10' C10' H10' 111(2) no
C7' C11' H11' 122(2) no
C7' C11' C12' 117(2) yes
C12' C11' H11' 121(2) no
C11' C12' H12' 122(2) no
C11' C12' C13' 118(2) yes
C13' C12' H12' 120(2) no
C12' C13' F15' 121(2) yes
C12' C13' C14' 126(2) yes
C14' C13' F15' 113(2) yes
C8' C14' C13' 114(2) yes
C13' C14' H14' 123(2) no
C8' C14' H14' 124(2) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C2 1.49(3) yes
N1 C2' 1.48(3) yes
N1 H1A 1.07(2) no
N1 H1B 1.070(10) no
C2 C3 1.49(3) yes
C2 H2A 1.06(2) no
C2 H2B 1.10(2) no
C3 O4 1.43(2) yes
C3 C5 1.59(3) yes
C3 H3 1.08(2) no
C5 O6 1.47(2) yes
C5 C10 1.50(3) yes
C5 H5 1.11(2) no
O6 C7 1.34(2) yes
C7 C8 1.43(3) yes
C7 C11 1.35(3) yes
C8 C9 1.50(3) yes
C8 C14 1.34(4) yes
C9 C10 1.55(3) yes
C9 H9A 1.08(2) no
C9 H9B 1.08(2) no
C10 H10A 1.07(2) no
C10 H10B 1.06(2) no
C11 C12 1.45(4) yes
C11 H11 1.09(2) no
C12 C13 1.35(4) yes
C12 H12 1.09(2) no
C13 C14 1.41(4) yes
C13 F15 1.34(3) yes
C14 H14 1.08(3) no
C2' C3' 1.49(3) yes
C2' H2'A 1.10(2) no
C2' H2'B 1.07(2) no
C3' O4' 1.38(3) yes
C3' C5' 1.59(3) yes
C3' H3' 1.10(2) no
C5' O6' 1.51(2) yes
C5' C10' 1.51(3) yes
C5' H5' 1.09(2) no
O6' C7' 1.42(2) yes
C7' C8' 1.34(3) yes
C7' C11' 1.44(3) yes
C8' C9' 1.52(3) yes
C8' C14' 1.41(3) yes
C9' C10' 1.55(2) yes
C9' H9'A 1.07(2) no
C9' H9B' 1.090(10) no
C10' H10' 1.07(2) no
C10' H10' 1.080(10) no
C11' C12' 1.36(3) yes
C11' H11' 1.08(2) no
C12' C13' 1.39(4) yes
C12' H12' 1.08(2) no
C13' C14' 1.44(3) yes
C13' F15' 1.39(2) yes
C14' H14' 1.08(2) no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
C2 N1 C2' C3' -176(2) yes
C2 N1 C2' H2'A 64(3) no
C2 N1 C2' H2'B -56(3) no
C2' N1 C2 H2B -61(2) no
C2' N1 C2 H2A 57(3) no
C2' N1 C2 C3 180(2) yes
H1A N1 C2 H2B 59(2) no
H1A N1 C2 H2A 178(2) no
H1A N1 C2 C3 -58(2) no
H1B N1 C2 H2B 179(2) no
H1B N1 C2 H2A -61(2) no
H1B N1 C2 C3 61(2) no
H1A N1 C2' H2'B -177(2) no
H1A N1 C2' H2'A -56(3) no
H1A N1 C2' C3' 63(2) no
H1B N1 C2' H2'B 62(3) no
H1B N1 C2' H2'A -176(2) no
H1B N1 C2' C3' -56(2) no
N1 C2 C3 O4 59(2) no
N1 C2 C3 C5 -179(2) yes
N1 C2 C3 H3 -63(2) no
H2A C2 C3 H3 58(2) no
H2A C2 C3 C5 -56(2) no
H2A C2 C3 O4 -178(2) no
H2B C2 C3 H3 178(2) no
H2B C2 C3 C5 62(2) no
H2B C2 C3 O4 -59(2) no
C2 C3 C5 O6 -57(2) no
C2 C3 C5 C10 -176(2) no
C2 C3 C5 H5 58(2) no
O4 C3 C5 O6 65(2) yes
O4 C3 C5 C10 -54(2) no
O4 C3 C5 H5 -178(2) no
H3 C3 C5 H5 -56(2) no
H3 C3 C5 C10 68(2) no
H3 C3 C5 O6 -172(2) no
C3 C5 C10 H10A -61(3) no
C3 C5 C10 H10B 60(3) no
C3 C5 C10 C9 179(2) no
C3 C5 O6 C7 -168(2) no
O6 C5 C10 H10A -178(2) no
O6 C5 C10 H10B -55(2) no
H5 C5 C10 C9 -56(2) no
O6 C5 C10 C9 63(2) no
C10 C5 O6 C7 -44(2) no
H5 C5 O6 C7 76(2) no
H5 C5 C10 H10B -175(2) no
H5 C5 C10 H10A 62(3) no
C5 O6 C7 C8 18(3) no
C5 O6 C7 C11 -169(2) no
O6 C7 C11 C12 -173(2) no
O6 C7 C11 H11 6(3) no
O6 C7 C8 C9 -7(4) no
O6 C7 C8 C14 177(3) no
C8 C7 C11 C12 1(4) no
C8 C7 C11 H11 -179(2) no
C11 C7 C8 C14 4(4) no
C11 C7 C8 C9 179(2) no
C7 C8 C14 H14 173(3) no
C7 C8 C14 C13 -6(5) no
C7 C8 C9 C10 26(3) no
C7 C8 C9 H9A -93(3) no
C7 C8 C9 H9B 146(2) no
C9 C8 C14 H14 0(5) no
C9 C8 C14 C13 179(3) no
C14 C8 C9 H9B -39(4) no
C14 C8 C9 H9A 80(3) no
C14 C8 C9 C10 -160(3) no
C8 C9 C10 C5 -52(3) no
C8 C9 C10 H10A -172(2) no
C8 C9 C10 H10B 65(3) no
H9A C9 C10 C5 66(2) no
H9B C9 C10 C5 -173(2) no
H9A C9 C10 H10B -174(2) no
H9A C9 C10 H10A -52(3) no
H9B C9 C10 H10B -55(3) no
H9B C9 C10 H10A 66(3) no
C7 C11 C12 C13 -1(4) no
C7 C11 C12 H12 -178(3) no
H11 C11 C12 H12 1(4) no
H11 C11 C12 C13 178(3) no
C11 C12 C13 C14 0(5) no
C11 C12 C13 F15 -177(3) no
H12 C12 C13 F15 0(5) no
H12 C12 C13 C14 176(3) no
C12 C13 C14 C8 6(5) no
C12 C13 C14 H14 -173(3) no
F15 C13 C14 C8 -178(3) no
F15 C13 C14 H14 2(5) no
N1 C2' C3' O4' 74(2) no
N1 C2' C3' C5' -169(2) yes
N1 C2' C3' H3' -50(3) no
H2'A C2' C3' H3' 69(3) no
H2'A C2' C3' C5' -48(3) no
H2'A C2' C3' O4' -165(2) no
H2'B C2' C3' H3' -172(2) no
H2'B C2' C3' C5' 68(3) no
H2'B C2' C3' O4' -48(3) no
C2' C3' C5' O6' 50(2) no
C2' C3' C5' C10' 165(2) no
C2' C3' C5' H5' -68(3) no
O4' C3' C5' O6' 169(2) yes
O4' C3' C5' C10' -76(2) no
O4' C3' C5' H5' 50(3) no
H3' C3' C5' H5' 173(2) no
H3' C3' C5' C10' 46(3) no
H3' C3' C5' O6' -68(2) no
C3' C5' C10' H10'A -60(2) no
C3' C5' C10' H10'B 60(2) no
C3' C5' C10' C9' 179(2) no
C3' C5' O6' C7' 173(2) no
O6' C5' C10' H10'A 51(2) no
O6' C5' C10' H10'B 173(2) no
H5' C5' C10' C9' 53(3) no
O6' C5' C10' C9' -68(2) no
C10' C5' O6' C7' 53(2) no
H5' C5' O6' C7' -68(2) no
H5' C5' C10' H10'B -65(3) no
H5' C5' C10' H10'A 173(2) no
C5' O6' C7' C8' -20(3) no
C5' O6' C7' C11' 164(2) no
O6' C7' C11' C12' 178(2) no
O6' C7' C11' H11' 0(3) no
O6' C7' C8' C9' 2(4) no
O6' C7' C8' C14' 179(2) no
C8' C7' C11' C12' 3(4) no
C8' C7' C11' H11' -176(2) no
C11' C7' C8' C14' -5(4) no
C11' C7' C8' C9' 177(2) no
C7' C8' C14' H14' -173(2) no
C7' C8' C14' C13' 5(4) no
C7' C8' C9' C10' -16(3) no
C7' C8' C9' H9'A 104(3) no
C7' C8' C9' H9B' -134(2) no
C9' C8' C14' H14' 3(4) no
C9' C8' C14' C13' -178(2) no
C14' C8' C9' H9B' 48(3) no
C14' C8' C9' H9'A -72(3) no
C14' C8' C9' C10' 166(2) no
C8' C9' C10' C5' 50(2) no
C8' C9' C10' H10'A -69(2) no
C8' C9' C10' H10'B 168(2) no
H9'A C9' C10' C5' -71(2) no
H9B' C9' C10' C5' 169(2) no
H9'A C9' C10' H10'B 47(2) no
H9'A C9' C10' H10'A 169(2) no
H9B' C9' C10' H10'B -71(2) no
H9B' C9' C10' H10'A 50(2) no
C7' C11' C12' C13' 1(4) no
C7' C11' C12' H12' -177(2) no
H11' C11' C12' H12' 1(4) no
H11' C11' C12' C13' -178(2) no
C11' C12' C13' C14' -1(4) no
C11' C12' C13' F15' 176(2) no
H12' C12' C13' F15' -4(4) no
H12' C12' C13' C14' 178(3) no
C12' C13' C14' C8' 0(4) no
C12' C13' C14' H14' 178(3) no
F15' C13' C14' C8' -179(2) no
F15' C13' C14' H14' 0(4) no
