#------------------------------------------------------------------------------
#$Date: 2022-10-29 11:09:02 +0300 (Sat, 29 Oct 2022) $
#$Revision: 278864 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/09/7130937.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_7130937
loop_
_publ_author_name
'Wang, Bo'
'Lin, Yiqing'
_publ_section_title
;
 Absolute configuration determination of SMTP-7 via microcrystal electron
 diffraction (MicroED)
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC05218K
_journal_year                    2022
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C51 H68 N2 O10'
_chemical_formula_sum            'C51 H68 N2 O10'
_chemical_formula_weight         869.11
_chemical_name_common            SMTP-7D
_chemical_name_systematic
'(S)-2,5-bis((2R,3S)-2-((E)-4,8-dimethylnona-3,7-dien-1-yl)-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl)pentanoic acid'
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-09-12
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-09-20 deposited with the CCDC.	2022-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.238(2)
_cell_length_b                   13.188(3)
_cell_length_c                   30.929(6)
_cell_measurement_reflns_used    40819
_cell_measurement_temperature    80.15
_cell_measurement_theta_max      0.716
_cell_measurement_theta_min      0.059
_cell_volume                     4583.9(16)
_computing_cell_refinement       'dials.cosym (Gildea, et al., 2018)'
_computing_data_collection       'Leginon (Cheng et al., 2021)'
_computing_data_reduction        'DIALS (Clabbers et al., 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXD  (Sheldrick, 2008)'
_diffrn_ambient_temperature      80.15
_diffrn_detector                 CMOS
_diffrn_detector_area_resol_mean 35.7
_diffrn_detector_type            'Thermo Fisher CETA-D'
_diffrn_measured_fraction_theta_full 0.810
_diffrn_measured_fraction_theta_max 0.810
_diffrn_measurement_device       'transmission electron microscope'
_diffrn_measurement_device_type  'Thermo Fisher Glacios at 200keV'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.02501
_diffrn_reflns_av_R_equivalents  0.1908
_diffrn_reflns_av_unetI/netI     0.1136
_diffrn_reflns_Laue_measured_fraction_full 0.810
_diffrn_reflns_Laue_measured_fraction_max 0.810
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            40819
_diffrn_reflns_point_group_measured_fraction_full 0.826
_diffrn_reflns_point_group_measured_fraction_max 0.826
_diffrn_reflns_theta_full        0.716
_diffrn_reflns_theta_max         0.716
_diffrn_reflns_theta_min         0.059
_diffrn_source                   'transmission electron microscope'
_diffrn_source_type              'Thermo Fisher Glacios at 200keV'
_diffrn_source_voltage           200
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'electron diffraction, unknown absorption'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_description       'fine powder'
_exptl_crystal_F_000             727
_refine_diff_density_max         0.105
_refine_diff_density_min         -0.123
_refine_diff_density_rms         0.035
_refine_ls_abs_structure_details
;
 All f" are zero, so absolute structure could not be determined
;
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     581
_refine_ls_number_reflns         3965
_refine_ls_number_restraints     408
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.1880
_refine_ls_R_factor_gt           0.1454
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3458
_refine_ls_wR_factor_ref         0.3675
_reflns_Friedel_coverage         0.785
_reflns_Friedel_fraction_full    0.847
_reflns_Friedel_fraction_max     0.847
_reflns_number_gt                2303
_reflns_number_total             3965
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc05218k2.cif
_cod_data_source_block           540p6s1_z4_p212121_3
_cod_original_cell_volume        4584.2(16)
_cod_database_code               7130937
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_exptl_absorpt_special_details   dials.scale
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.005 and sigma
for terminal atoms of 0.005 within 2A
3.a Ternary CH refined with riding coordinates:
 C8A(H8A), C1C(H1C), C8B(H8B)
3.b Secondary CH2 refined with riding coordinates:
 C19A(H19A,H19B), C18A(H18A,H18B), C15A(H15A,H15B), C14A(H14D,H14E), C7A(H7AA,
 H7AB), C13A(H13A,H13B), C2C(H2CA,H2CB), C3C(H3CA,H3CB), C4C(H4CA,H4CB),
 C13B(H13C,H13D), C7B(H7BA,H7BB), C14B(H14F,H14G), C15B(H15C,H15D), C18B(H18C,
 H18D), C19B(H19C,H19D)
3.c Aromatic/amide H refined with riding coordinates:
 C20A(H20A), C16A(H16A), C4A(H4A), C4B(H4B), C16B(H16B), C20B(H20B)
3.d Idealised Me refined as rotating group:
 C23A(H23A,H23B,H23C), C22A(H22A,H22B,H22C), C14(H14A,H14B,H14C), C24A(H24A,
 H24B,H24C), C25B(H25B,H25C,H25D), C24B(H24D,H24E,H24F), C23B(H23D,H23E,H23F),
 C22B(H22D,H22E,H22F)
3.e Idealised tetrahedral OH refined as rotating group:
 O25A(H25A), O26A(H26A), O7C(H7C), O27B(H27B), O26B(H26B)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O25A O 0.0370(16) 0.2250(13) 0.3666(10) 0.113(5) Uani 1 1 d . U . . .
H25A H -0.024580 0.214633 0.344653 0.169 Uiso 1 1 calc R U . . .
O10A O 0.3167(16) 0.3414(13) 0.3626(11) 0.112(4) Uani 1 1 d . U . . .
O26A O 0.0536(14) 0.5772(13) 0.2983(11) 0.110(4) Uani 1 1 d . U . . .
H26A H 0.036248 0.572643 0.267293 0.165 Uiso 1 1 calc R U . . .
O27A O 0.5218(14) 0.6956(12) 0.2673(10) 0.110(4) Uani 1 1 d . U . . .
O6C O 0.7568(18) 0.5417(17) 0.3804(14) 0.131(5) Uani 1 1 d . U . . .
O7C O 0.8397(18) 0.6806(15) 0.3571(12) 0.131(5) Uani 1 1 d . U . . .
H7C H 0.918720 0.660610 0.367445 0.197 Uiso 1 1 calc R U . . .
O28B O 0.9770(16) 0.2689(13) 0.2383(11) 0.121(5) Uani 1 1 d . U . . .
O27B O 1.4376(14) 0.3925(12) 0.2238(11) 0.113(4) Uani 1 1 d . U . . .
H27B H 1.457942 0.328192 0.209776 0.170 Uiso 1 1 calc R U . . .
O10B O 1.1781(15) 0.6394(13) 0.1629(11) 0.115(4) Uani 1 1 d . U . . .
O26B O 1.3759(15) 0.7419(13) 0.2008(11) 0.115(4) Uani 1 1 d . U . . .
H26B H 1.431250 0.719181 0.223264 0.173 Uiso 1 1 calc R U . . .
N1A N 0.5830(15) 0.5594(14) 0.3126(12) 0.115(3) Uani 1 1 d . U . . .
N1B N 0.9223(15) 0.4168(14) 0.2098(12) 0.117(4) Uani 1 1 d . U . . .
C23A C 0.528(3) -0.3497(18) 0.5895(15) 0.141(7) Uani 1 1 d . U . . .
H23A H 0.614254 -0.379988 0.593761 0.212 Uiso 1 1 calc R U . . .
H23B H 0.482599 -0.390905 0.565081 0.212 Uiso 1 1 calc R U . . .
H23C H 0.479767 -0.355389 0.618955 0.212 Uiso 1 1 calc R U . . .
C21A C 0.536(3) -0.243(2) 0.5769(16) 0.139(6) Uani 1 1 d . U . . .
C22A C 0.638(2) -0.192(2) 0.5946(15) 0.142(7) Uani 1 1 d . U . . .
H22A H 0.616571 -0.163239 0.625634 0.212 Uiso 1 1 calc R U . . .
H22B H 0.662738 -0.131386 0.573991 0.212 Uiso 1 1 calc R U . . .
H22C H 0.710019 -0.243710 0.597307 0.212 Uiso 1 1 calc R U . . .
C20A C 0.470(3) -0.1958(19) 0.5501(14) 0.137(5) Uani 1 1 d . U . . .
H20A H 0.403733 -0.243495 0.535138 0.165 Uiso 1 1 calc R U . . .
C19A C 0.465(2) -0.0904(17) 0.5355(14) 0.137(5) Uani 1 1 d . U . . .
H19A H 0.555707 -0.066038 0.528435 0.164 Uiso 1 1 calc R U . . .
H19B H 0.433339 -0.044377 0.562410 0.164 Uiso 1 1 calc R U . . .
C18A C 0.386(2) -0.0652(17) 0.4948(15) 0.135(5) Uani 1 1 d . U . . .
H18A H 0.429229 -0.094819 0.465959 0.163 Uiso 1 1 calc R U . . .
H18B H 0.300461 -0.103966 0.498115 0.163 Uiso 1 1 calc R U . . .
C17A C 0.364(2) 0.040(2) 0.4890(16) 0.133(5) Uani 1 1 d . U . . .
C14 C 0.349(2) 0.1127(19) 0.5241(14) 0.140(6) Uani 1 1 d . U . . .
H14A H 0.299417 0.078557 0.549355 0.211 Uiso 1 1 calc R U . . .
H14B H 0.302536 0.177201 0.512446 0.211 Uiso 1 1 calc R U . . .
H14C H 0.433400 0.135088 0.535882 0.211 Uiso 1 1 calc R U . . .
C16A C 0.383(2) 0.0766(18) 0.4452(14) 0.127(5) Uani 1 1 d . U . . .
H16A H 0.414210 0.021804 0.421894 0.153 Uiso 1 1 calc R U . . .
C15A C 0.363(2) 0.1851(16) 0.4287(13) 0.124(4) Uani 1 1 d . U . . .
H15A H 0.445388 0.214590 0.415155 0.149 Uiso 1 1 calc R U . . .
H15B H 0.336799 0.233817 0.455541 0.149 Uiso 1 1 calc R U . . .
C14A C 0.2664(18) 0.1868(16) 0.3943(12) 0.116(4) Uani 1 1 d . U . . .
H14D H 0.297483 0.144786 0.366150 0.139 Uiso 1 1 calc R U . . .
H14E H 0.187844 0.148136 0.406786 0.139 Uiso 1 1 calc R U . . .
C9A C 0.2314(18) 0.2938(15) 0.3803(13) 0.113(3) Uani 1 1 d . U . . .
C24A C 0.1871(18) 0.3528(15) 0.4242(12) 0.114(5) Uani 1 1 d . U . . .
H24A H 0.253390 0.346410 0.448430 0.171 Uiso 1 1 calc R U . . .
H24B H 0.106878 0.319691 0.435437 0.171 Uiso 1 1 calc R U . . .
H24C H 0.172348 0.430454 0.417103 0.171 Uiso 1 1 calc R U . . .
C8A C 0.1306(17) 0.2834(14) 0.3490(12) 0.112(4) Uani 1 1 d . U . . .
H8A H 0.163099 0.246310 0.319411 0.134 Uiso 1 1 calc R U . . .
C7A C 0.0815(16) 0.3911(13) 0.3372(12) 0.108(4) Uani 1 1 d . U . . .
H7AA H 0.024794 0.419435 0.363098 0.130 Uiso 1 1 calc R U . . .
H7AB H 0.028899 0.387295 0.307594 0.130 Uiso 1 1 calc R U . . .
C6A C 0.1874(17) 0.4611(14) 0.3308(12) 0.109(3) Uani 1 1 d . U . . .
C5A C 0.1679(17) 0.5535(13) 0.3052(12) 0.108(4) Uani 1 1 d . U . . .
C4A C 0.2677(16) 0.6102(14) 0.2881(11) 0.110(4) Uani 1 1 d . U . . .
H4A H 0.254589 0.672346 0.265880 0.132 Uiso 1 1 calc R U . . .
C3A C 0.3784(17) 0.5823(14) 0.3011(12) 0.112(3) Uani 1 1 d . U . . .
C12A C 0.3974(17) 0.4848(14) 0.3268(12) 0.111(3) Uani 1 1 d . U . . .
C11A C 0.3010(16) 0.4295(15) 0.3395(12) 0.110(3) Uani 1 1 d . U . . .
C2A C 0.4970(17) 0.6250(15) 0.2938(12) 0.113(4) Uani 1 1 d . U . . .
C13A C 0.5288(16) 0.4688(14) 0.3365(12) 0.112(4) Uani 1 1 d . U . . .
H13A H 0.546874 0.471930 0.371086 0.134 Uiso 1 1 calc R U . . .
H13B H 0.560911 0.396973 0.323514 0.134 Uiso 1 1 calc R U . . .
C1C C 0.7070(19) 0.5697(17) 0.3074(13) 0.122(4) Uani 1 1 d . U . . .
H1C H 0.718418 0.639829 0.288644 0.146 Uiso 1 1 calc R U . . .
C5C C 0.767(2) 0.5923(19) 0.3522(15) 0.127(4) Uani 1 1 d . U . . .
C2C C 0.7717(18) 0.4923(17) 0.2830(13) 0.119(4) Uani 1 1 d . U . . .
H2CA H 0.867175 0.506009 0.285293 0.143 Uiso 1 1 calc R U . . .
H2CB H 0.753196 0.417491 0.296424 0.143 Uiso 1 1 calc R U . . .
C3C C 0.7309(17) 0.4965(16) 0.2339(13) 0.118(4) Uani 1 1 d . U . . .
H3CA H 0.758435 0.568092 0.219446 0.142 Uiso 1 1 calc R U . . .
H3CB H 0.634315 0.491099 0.231870 0.142 Uiso 1 1 calc R U . . .
C4C C 0.7900(16) 0.4053(15) 0.2091(12) 0.117(4) Uani 1 1 d . U . . .
H4CA H 0.764989 0.333996 0.224447 0.140 Uiso 1 1 calc R U . . .
H4CB H 0.758590 0.403835 0.175779 0.140 Uiso 1 1 calc R U . . .
C2B C 1.0004(18) 0.3547(15) 0.2198(12) 0.120(4) Uani 1 1 d . U . . .
C13B C 0.9752(16) 0.5134(14) 0.1904(12) 0.114(4) Uani 1 1 d . U . . .
H13C H 0.949335 0.523130 0.156719 0.137 Uiso 1 1 calc R U . . .
H13D H 0.949738 0.580495 0.208813 0.137 Uiso 1 1 calc R U . . .
C12B C 1.1029(17) 0.4912(14) 0.1947(12) 0.114(4) Uani 1 1 d . U . . .
C3B C 1.1252(17) 0.3985(14) 0.2153(12) 0.117(4) Uani 1 1 d . U . . .
C11B C 1.2050(16) 0.5527(14) 0.1812(12) 0.113(4) Uani 1 1 d . U . . .
C6B C 1.3134(16) 0.5122(14) 0.1915(12) 0.112(4) Uani 1 1 d . U . . .
C5B C 1.3249(17) 0.4185(14) 0.2134(12) 0.113(4) Uani 1 1 d . U . . .
C4B C 1.2266(17) 0.3623(15) 0.2262(11) 0.115(4) Uani 1 1 d . U . . .
H4B H 1.235092 0.292401 0.244114 0.138 Uiso 1 1 calc R U . . .
C7B C 1.4232(16) 0.5698(14) 0.1771(12) 0.112(4) Uani 1 1 d . U . . .
H7BA H 1.465872 0.528057 0.150962 0.134 Uiso 1 1 calc R U . . .
H7BB H 1.485806 0.573095 0.204030 0.134 Uiso 1 1 calc R U . . .
C8B C 1.3964(17) 0.6832(14) 0.1610(12) 0.114(4) Uani 1 1 d . U . . .
H8B H 1.468797 0.714550 0.141126 0.137 Uiso 1 1 calc R U . . .
C9B C 1.2799(18) 0.6793(15) 0.1372(12) 0.117(3) Uani 1 1 d . U . . .
C25B C 1.2432(17) 0.7918(14) 0.1273(12) 0.117(5) Uani 1 1 d . U . . .
H25B H 1.149655 0.799413 0.130216 0.176 Uiso 1 1 calc R U . . .
H25C H 1.269598 0.811025 0.095449 0.176 Uiso 1 1 calc R U . . .
H25D H 1.285656 0.840945 0.149634 0.176 Uiso 1 1 calc R U . . .
C14B C 1.2905(19) 0.6198(16) 0.0958(12) 0.120(4) Uani 1 1 d . U . . .
H14F H 1.320040 0.543501 0.104042 0.145 Uiso 1 1 calc R U . . .
H14G H 1.360693 0.654393 0.076452 0.145 Uiso 1 1 calc R U . . .
C15B C 1.184(2) 0.6103(17) 0.0680(14) 0.129(4) Uani 1 1 d . U . . .
H15C H 1.108760 0.597959 0.089819 0.155 Uiso 1 1 calc R U . . .
H15D H 1.169905 0.684458 0.053320 0.155 Uiso 1 1 calc R U . . .
C16B C 1.172(2) 0.5418(18) 0.0360(14) 0.134(5) Uani 1 1 d . U . . .
H16B H 1.231698 0.477546 0.036757 0.160 Uiso 1 1 calc R U . . .
C17B C 1.086(2) 0.5463(18) -0.0001(16) 0.138(5) Uani 1 1 d . U . . .
C24B C 0.9884(19) 0.6128(17) 0.0040(13) 0.136(6) Uani 1 1 d . U . . .
H24D H 0.916267 0.574120 0.018679 0.205 Uiso 1 1 calc R U . . .
H24E H 0.962416 0.638818 -0.027043 0.205 Uiso 1 1 calc R U . . .
H24F H 1.013161 0.675550 0.023429 0.205 Uiso 1 1 calc R U . . .
C18B C 1.096(2) 0.4797(19) -0.0372(15) 0.142(5) Uani 1 1 d . U . . .
H18C H 1.177651 0.435385 -0.034250 0.170 Uiso 1 1 calc R U . . .
H18D H 1.103441 0.525574 -0.066437 0.170 Uiso 1 1 calc R U . . .
C19B C 0.991(2) 0.4073(19) -0.0420(15) 0.145(5) Uani 1 1 d . U . . .
H19C H 0.978449 0.361619 -0.012945 0.174 Uiso 1 1 calc R U . . .
H19D H 0.908624 0.448480 -0.048792 0.174 Uiso 1 1 calc R U . . .
C20B C 1.028(3) 0.3425(19) -0.0800(16) 0.151(6) Uani 1 1 d . U . . .
H20B H 1.099327 0.364070 -0.101384 0.182 Uiso 1 1 calc R U . . .
C21B C 0.961(3) 0.250(2) -0.0859(17) 0.154(6) Uani 1 1 d . U . . .
C23B C 0.989(3) 0.183(2) -0.1277(16) 0.154(7) Uani 1 1 d . U . . .
H23D H 1.063511 0.213503 -0.144045 0.231 Uiso 1 1 calc R U . . .
H23E H 0.913990 0.183786 -0.148563 0.231 Uiso 1 1 calc R U . . .
H23F H 1.007218 0.107574 -0.118081 0.231 Uiso 1 1 calc R U . . .
C22B C 0.876(3) 0.210(2) -0.0578(16) 0.158(7) Uani 1 1 d . U . . .
H22D H 0.842674 0.268309 -0.037538 0.237 Uiso 1 1 calc R U . . .
H22E H 0.915145 0.152511 -0.038634 0.237 Uiso 1 1 calc R U . . .
H22F H 0.804709 0.178663 -0.076026 0.237 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000 '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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0000 0.0000 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C8A O25A H25A 109.5 . . ?
C9A O10A C11A 123.0(18) . . ?
C5A O26A H26A 109.5 . . ?
C5C O7C H7C 109.5 . . ?
C5B O27B H27B 109.5 . . ?
C11B O10B C9B 111.2(17) . . ?
C8B O26B H26B 109.5 . . ?
C2A N1A C13A 113.7(16) . . ?
C1C N1A C2A 124(2) . . ?
C1C N1A C13A 122(2) . . ?
C4C N1B C13B 117.8(19) . . ?
C2B N1B C4C 130(2) . . ?
C2B N1B C13B 111.9(17) . . ?
H23A C23A H23B 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C21A C23A H23A 109.5 . . ?
C21A C23A H23B 109.5 . . ?
C21A C23A H23C 109.5 . . ?
C22A C21A C23A 114(3) . . ?
C20A C21A C23A 127(3) . . ?
C20A C21A C22A 119(3) . . ?
C21A C22A H22A 109.5 . . ?
C21A C22A H22B 109.5 . . ?
C21A C22A H22C 109.5 . . ?
H22A C22A H22B 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C21A C20A H20A 113.2 . . ?
C21A C20A C19A 134(3) . . ?
C19A C20A H20A 113.2 . . ?
C20A C19A H19A 107.8 . . ?
C20A C19A H19B 107.8 . . ?
C20A C19A C18A 118(3) . . ?
H19A C19A H19B 107.2 . . ?
C18A C19A H19A 107.8 . . ?
C18A C19A H19B 107.8 . . ?
C19A C18A H18A 108.8 . . ?
C19A C18A H18B 108.8 . . ?
H18A C18A H18B 107.7 . . ?
C17A C18A C19A 114(3) . . ?
C17A C18A H18A 108.8 . . ?
C17A C18A H18B 108.8 . . ?
C18A C17A C16A 115(3) . . ?
C14 C17A C18A 125(4) . . ?
C14 C17A C16A 120(3) . . ?
C17A C14 H14A 109.5 . . ?
C17A C14 H14B 109.5 . . ?
C17A C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17A C16A H16A 116.6 . . ?
C17A C16A C15A 127(3) . . ?
C15A C16A H16A 116.6 . . ?
C16A C15A H15A 109.5 . . ?
C16A C15A H15B 109.5 . . ?
C16A C15A C14A 111(2) . . ?
H15A C15A H15B 108.1 . . ?
C14A C15A H15A 109.5 . . ?
C14A C15A H15B 109.5 . . ?
C15A C14A H14D 108.9 . . ?
C15A C14A H14E 108.9 . . ?
H14D C14A H14E 107.7 . . ?
C9A C14A C15A 113(2) . . ?
C9A C14A H14D 108.9 . . ?
C9A C14A H14E 108.9 . . ?
O10A C9A C14A 112.6(18) . . ?
O10A C9A C24A 110(2) . . ?
O10A C9A C8A 110(3) . . ?
C14A C9A C24A 106(3) . . ?
C14A C9A C8A 107.1(18) . . ?
C8A C9A C24A 110.4(18) . . ?
C9A C24A H24A 109.5 . . ?
C9A C24A H24B 109.5 . . ?
C9A C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
O25A C8A C9A 111(3) . . ?
O25A C8A H8A 109.0 . . ?
O25A C8A C7A 108.8(16) . . ?
C9A C8A H8A 109.0 . . ?
C7A C8A C9A 109.6(18) . . ?
C7A C8A H8A 109.0 . . ?
C8A C7A H7AA 110.2 . . ?
C8A C7A H7AB 110.2 . . ?
C8A C7A C6A 107.7(15) . . ?
H7AA C7A H7AB 108.5 . . ?
C6A C7A H7AA 110.2 . . ?
C6A C7A H7AB 110.2 . . ?
C5A C6A C7A 117.2(19) . . ?
C11A C6A C7A 121.3(19) . . ?
C11A C6A C5A 120(2) . . ?
O26A C5A C6A 115(2) . . ?
O26A C5A C4A 124(2) . . ?
C4A C5A C6A 120.7(18) . . ?
C5A C4A H4A 121.3 . . ?
C3A C4A C5A 117(2) . . ?
C3A C4A H4A 121.3 . . ?
C4A C3A C12A 120.7(18) . . ?
C4A C3A C2A 133(2) . . ?
C12A C3A C2A 106.1(18) . . ?
C3A C12A C13A 110.8(17) . . ?
C11A C12A C3A 119.3(18) . . ?
C11A C12A C13A 130(2) . . ?
C6A C11A O10A 119(2) . . ?
C12A C11A O10A 120.0(18) . . ?
C12A C11A C6A 121(2) . . ?
O27A C2A N1A 124.2(19) . . ?
O27A C2A C3A 125(2) . . ?
N1A C2A C3A 109(2) . . ?
N1A C13A C12A 100.5(19) . . ?
N1A C13A H13A 111.7 . . ?
N1A C13A H13B 111.7 . . ?
C12A C13A H13A 111.7 . . ?
C12A C13A H13B 111.7 . . ?
H13A C13A H13B 109.4 . . ?
N1A C1C H1C 104.9 . . ?
N1A C1C C5C 110(3) . . ?
N1A C1C C2C 119(2) . . ?
C5C C1C H1C 104.9 . . ?
C5C C1C C2C 112(2) . . ?
C2C C1C H1C 104.9 . . ?
O6C C5C O7C 118(4) . . ?
O6C C5C C1C 123(3) . . ?
O7C C5C C1C 120(3) . . ?
C1C C2C H2CA 109.9 . . ?
C1C C2C H2CB 109.9 . . ?
H2CA C2C H2CB 108.3 . . ?
C3C C2C C1C 109(2) . . ?
C3C C2C H2CA 109.9 . . ?
C3C C2C H2CB 109.9 . . ?
C2C C3C H3CA 110.0 . . ?
C2C C3C H3CB 110.0 . . ?
C2C C3C C4C 109(2) . . ?
H3CA C3C H3CB 108.4 . . ?
C4C C3C H3CA 110.0 . . ?
C4C C3C H3CB 110.0 . . ?
N1B C4C C3C 109.6(19) . . ?
N1B C4C H4CA 109.8 . . ?
N1B C4C H4CB 109.8 . . ?
C3C C4C H4CA 109.8 . . ?
C3C C4C H4CB 109.8 . . ?
H4CA C4C H4CB 108.2 . . ?
O28B C2B C3B 124(2) . . ?
N1B C2B O28B 123(2) . . ?
N1B C2B C3B 112.3(19) . . ?
N1B C13B H13C 111.7 . . ?
N1B C13B H13D 111.7 . . ?
H13C C13B H13D 109.5 . . ?
C12B C13B N1B 100.3(18) . . ?
C12B C13B H13C 111.7 . . ?
C12B C13B H13D 111.7 . . ?
C13B C12B C11B 129(2) . . ?
C3B C12B C13B 112.9(19) . . ?
C3B C12B C11B 118.2(18) . . ?
C12B C3B C2B 102.0(19) . . ?
C4B C3B C2B 131(2) . . ?
C4B C3B C12B 127(2) . . ?
O10B C11B C12B 115.2(18) . . ?
C6B C11B O10B 130.3(19) . . ?
C6B C11B C12B 114(2) . . ?
C11B C6B C5B 122.2(19) . . ?
C11B C6B C7B 117(2) . . ?
C5B C6B C7B 120.3(17) . . ?
O27B C5B C6B 114.8(17) . . ?
O27B C5B C4B 123(2) . . ?
C4B C5B C6B 122.0(19) . . ?
C3B C4B C5B 116(2) . . ?
C3B C4B H4B 122.1 . . ?
C5B C4B H4B 122.1 . . ?
C6B C7B H7BA 108.8 . . ?
C6B C7B H7BB 108.8 . . ?
C6B C7B C8B 113.9(15) . . ?
H7BA C7B H7BB 107.7 . . ?
C8B C7B H7BA 108.8 . . ?
C8B C7B H7BB 108.8 . . ?
O26B C8B C7B 105(3) . . ?
O26B C8B H8B 112.6 . . ?
O26B C8B C9B 106.9(19) . . ?
C7B C8B H8B 112.6 . . ?
C9B C8B C7B 106.5(16) . . ?
C9B C8B H8B 112.6 . . ?
O10B C9B C8B 115(3) . . ?
O10B C9B C25B 103.6(17) . . ?
O10B C9B C14B 109.3(19) . . ?
C8B C9B C25B 106.9(17) . . ?
C14B C9B C8B 111(2) . . ?
C14B C9B C25B 110(3) . . ?
C9B C25B H25B 109.5 . . ?
C9B C25B H25C 109.5 . . ?
C9B C25B H25D 109.5 . . ?
H25B C25B H25C 109.5 . . ?
H25B C25B H25D 109.5 . . ?
H25C C25B H25D 109.5 . . ?
C9B C14B H14F 107.8 . . ?
C9B C14B H14G 107.8 . . ?
C9B C14B C15B 118(2) . . ?
H14F C14B H14G 107.1 . . ?
C15B C14B H14F 107.8 . . ?
C15B C14B H14G 107.8 . . ?
C14B C15B H15C 106.3 . . ?
C14B C15B H15D 106.3 . . ?
H15C C15B H15D 106.4 . . ?
C16B C15B C14B 124(2) . . ?
C16B C15B H15C 106.3 . . ?
C16B C15B H15D 106.3 . . ?
C15B C16B H16B 116.9 . . ?
C15B C16B C17B 126(2) . . ?
C17B C16B H16B 116.9 . . ?
C24B C17B C16B 118(3) . . ?
C24B C17B C18B 121(3) . . ?
C18B C17B C16B 121(2) . . ?
C17B C24B H24D 109.5 . . ?
C17B C24B H24E 109.5 . . ?
C17B C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C17B C18B H18C 109.0 . . ?
C17B C18B H18D 109.0 . . ?
C17B C18B C19B 113(3) . . ?
H18C C18B H18D 107.8 . . ?
C19B C18B H18C 109.0 . . ?
C19B C18B H18D 109.0 . . ?
C18B C19B H19C 111.3 . . ?
C18B C19B H19D 111.3 . . ?
H19C C19B H19D 109.2 . . ?
C20B C19B C18B 102(3) . . ?
C20B C19B H19C 111.3 . . ?
C20B C19B H19D 111.3 . . ?
C19B C20B H20B 122.2 . . ?
C21B C20B C19B 116(3) . . ?
C21B C20B H20B 122.2 . . ?
C20B C21B C23B 118(3) . . ?
C20B C21B C22B 127(4) . . ?
C22B C21B C23B 115(3) . . ?
C21B C23B H23D 109.5 . . ?
C21B C23B H23E 109.5 . . ?
C21B C23B H23F 109.5 . . ?
H23D C23B H23E 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C21B C22B H22D 109.5 . . ?
C21B C22B H22E 109.5 . . ?
C21B C22B H22F 109.5 . . ?
H22D C22B H22E 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O25A H25A 0.9801 . ?
O25A C8A 1.41(3) . ?
O10A C9A 1.27(3) . ?
O10A C11A 1.37(3) . ?
O26A H26A 0.9801 . ?
O26A C5A 1.34(3) . ?
O27A C2A 1.27(4) . ?
O6C C5C 1.10(5) . ?
O7C H7C 0.9801 . ?
O7C C5C 1.43(3) . ?
O28B C2B 1.30(3) . ?
O27B H27B 0.9801 . ?
O27B C5B 1.35(3) . ?
O10B C11B 1.31(3) . ?
O10B C9B 1.49(4) . ?
O26B H26B 0.9801 . ?
O26B C8B 1.47(4) . ?
N1A C2A 1.42(3) . ?
N1A C13A 1.53(3) . ?
N1A C1C 1.41(3) . ?
N1B C4C 1.49(3) . ?
N1B C2B 1.24(3) . ?
N1B C13B 1.53(3) . ?
C23A H23A 1.0601 . ?
C23A H23B 1.0601 . ?
C23A H23C 1.0601 . ?
C23A C21A 1.46(4) . ?
C21A C22A 1.44(4) . ?
C21A C20A 1.28(5) . ?
C22A H22A 1.0601 . ?
C22A H22B 1.0601 . ?
C22A H22C 1.0601 . ?
C20A H20A 1.0800 . ?
C20A C19A 1.46(3) . ?
C19A H19A 1.0900 . ?
C19A H19B 1.0900 . ?
C19A C18A 1.58(5) . ?
C18A H18A 1.0900 . ?
C18A H18B 1.0900 . ?
C18A C17A 1.42(3) . ?
C17A C14 1.46(5) . ?
C17A C16A 1.45(6) . ?
C14 H14A 1.0601 . ?
C14 H14B 1.0601 . ?
C14 H14C 1.0601 . ?
C16A H16A 1.0800 . ?
C16A C15A 1.54(3) . ?
C15A H15A 1.0900 . ?
C15A H15B 1.0900 . ?
C15A C14A 1.52(4) . ?
C14A H14D 1.0900 . ?
C14A H14E 1.0900 . ?
C14A C9A 1.53(3) . ?
C9A C24A 1.64(5) . ?
C9A C8A 1.50(4) . ?
C24A H24A 1.0601 . ?
C24A H24B 1.0601 . ?
C24A H24C 1.0601 . ?
C8A H8A 1.1000 . ?
C8A C7A 1.57(3) . ?
C7A H7AA 1.0900 . ?
C7A H7AB 1.0900 . ?
C7A C6A 1.52(3) . ?
C6A C5A 1.47(4) . ?
C6A C11A 1.37(3) . ?
C5A C4A 1.45(3) . ?
C4A H4A 1.0800 . ?
C4A C3A 1.36(3) . ?
C3A C12A 1.53(4) . ?
C3A C2A 1.47(3) . ?
C12A C11A 1.36(3) . ?
C12A C13A 1.52(3) . ?
C13A H13A 1.0900 . ?
C13A H13B 1.0900 . ?
C1C H1C 1.1000 . ?
C1C C5C 1.57(5) . ?
C1C C2C 1.46(4) . ?
C2C H2CA 1.0900 . ?
C2C H2CB 1.0900 . ?
C2C C3C 1.59(5) . ?
C3C H3CA 1.0900 . ?
C3C H3CB 1.0900 . ?
C3C C4C 1.57(4) . ?
C4C H4CA 1.0900 . ?
C4C H4CB 1.0900 . ?
C2B C3B 1.52(3) . ?
C13B H13C 1.0900 . ?
C13B H13D 1.0900 . ?
C13B C12B 1.47(3) . ?
C12B C3B 1.40(3) . ?
C12B C11B 1.47(3) . ?
C3B C4B 1.28(3) . ?
C11B C6B 1.37(3) . ?
C6B C5B 1.42(3) . ?
C6B C7B 1.52(3) . ?
C5B C4B 1.39(3) . ?
C4B H4B 1.0800 . ?
C7B H7BA 1.0900 . ?
C7B H7BB 1.0900 . ?
C7B C8B 1.61(3) . ?
C8B H8B 1.1000 . ?
C8B C9B 1.50(3) . ?
C9B C25B 1.57(3) . ?
C9B C14B 1.51(5) . ?
C25B H25B 1.0601 . ?
C25B H25C 1.0601 . ?
C25B H25D 1.0601 . ?
C14B H14F 1.0900 . ?
C14B H14G 1.0900 . ?
C14B C15B 1.48(4) . ?
C15B H15C 1.0900 . ?
C15B H15D 1.0900 . ?
C15B C16B 1.35(5) . ?
C16B H16B 1.0800 . ?
C16B C17B 1.48(5) . ?
C17B C24B 1.41(3) . ?
C17B C18B 1.45(5) . ?
C24B H24D 1.0601 . ?
C24B H24E 1.0601 . ?
C24B H24F 1.0601 . ?
C18B H18C 1.0900 . ?
C18B H18D 1.0900 . ?
C18B C19B 1.53(3) . ?
C19B H19C 1.0900 . ?
C19B H19D 1.0900 . ?
C19B C20B 1.51(5) . ?
C20B H20B 1.0800 . ?
C20B C21B 1.44(4) . ?
C21B C23B 1.60(6) . ?
C21B C22B 1.40(5) . ?
C23B H23D 1.0601 . ?
C23B H23E 1.0601 . ?
C23B H23F 1.0601 . ?
C22B H22D 1.0601 . ?
C22B H22E 1.0601 . ?
C22B H22F 1.0601 . ?
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
O25A C8A C7A C6A 164(3) . . . . ?
O10A C9A C8A O25A 176(2) . . . . ?
O10A C9A C8A C7A -63(3) . . . . ?
O26A C5A C4A C3A 174(3) . . . . ?
O28B C2B C3B C12B -178(3) . . . . ?
O28B C2B C3B C4B 3(6) . . . . ?
O27B C5B C4B C3B 177(3) . . . . ?
O10B C11B C6B C5B 177(3) . . . . ?
O10B C11B C6B C7B -6(5) . . . . ?
O10B C9B C14B C15B 53(3) . . . . ?
O26B C8B C9B O10B -55(2) . . . . ?
O26B C8B C9B C25B 60(3) . . . . ?
O26B C8B C9B C14B -180(2) . . . . ?
N1A C1C C5C O6C 57(4) . . . . ?
N1A C1C C5C O7C -125(2) . . . . ?
N1A C1C C2C C3C 66(4) . . . . ?
N1B C2B C3B C12B -9(4) . . . . ?
N1B C2B C3B C4B 173(4) . . . . ?
N1B C13B C12B C3B -2(4) . . . . ?
N1B C13B C12B C11B 178(3) . . . . ?
C23A C21A C20A C19A 177(4) . . . . ?
C21A C20A C19A C18A 168(5) . . . . ?
C22A C21A C20A C19A -8(7) . . . . ?
C20A C19A C18A C17A 166(3) . . . . ?
C19A C18A C17A C14 -35(4) . . . . ?
C19A C18A C17A C16A 133(3) . . . . ?
C18A C17A C16A C15A 178(2) . . . . ?
C17A C16A C15A C14A -117(3) . . . . ?
C14 C17A C16A C15A -14(4) . . . . ?
C16A C15A C14A C9A 173(3) . . . . ?
C15A C14A C9A O10A 63(4) . . . . ?
C15A C14A C9A C24A -58(3) . . . . ?
C15A C14A C9A C8A -176(3) . . . . ?
C14A C9A C8A O25A 54(3) . . . . ?
C14A C9A C8A C7A 174(2) . . . . ?
C9A O10A C11A C6A -8(5) . . . . ?
C9A O10A C11A C12A 170(3) . . . . ?
C9A C8A C7A C6A 42(3) . . . . ?
C24A C9A C8A O25A -62(2) . . . . ?
C24A C9A C8A C7A 59(3) . . . . ?
C8A C7A C6A C5A 159(3) . . . . ?
C8A C7A C6A C11A -6(4) . . . . ?
C7A C6A C5A O26A 14(4) . . . . ?
C7A C6A C5A C4A -164(3) . . . . ?
C7A C6A C11A O10A -14(5) . . . . ?
C7A C6A C11A C12A 168(3) . . . . ?
C6A C5A C4A C3A -8(4) . . . . ?
C5A C6A C11A O10A -178(3) . . . . ?
C5A C6A C11A C12A 3(5) . . . . ?
C5A C4A C3A C12A 10(4) . . . . ?
C5A C4A C3A C2A -174(3) . . . . ?
C4A C3A C12A C11A -5(5) . . . . ?
C4A C3A C12A C13A 179(3) . . . . ?
C4A C3A C2A O27A -10(6) . . . . ?
C4A C3A C2A N1A -176(3) . . . . ?
C3A C12A C11A O10A 180(3) . . . . ?
C3A C12A C11A C6A -2(5) . . . . ?
C3A C12A C13A N1A -3(3) . . . . ?
C12A C3A C2A O27A 167(3) . . . . ?
C12A C3A C2A N1A 1(4) . . . . ?
C11A O10A C9A C14A 166(3) . . . . ?
C11A O10A C9A C24A -75(4) . . . . ?
C11A O10A C9A C8A 47(4) . . . . ?
C11A C6A C5A O26A 179(3) . . . . ?
C11A C6A C5A C4A 2(5) . . . . ?
C11A C12A C13A N1A -179(3) . . . . ?
C2A N1A C13A C12A 4(3) . . . . ?
C2A N1A C1C C5C 116(3) . . . . ?
C2A N1A C1C C2C -113(3) . . . . ?
C2A C3A C12A C11A 178(3) . . . . ?
C2A C3A C12A C13A 2(4) . . . . ?
C13A N1A C2A O27A -169(3) . . . . ?
C13A N1A C2A C3A -3(4) . . . . ?
C13A N1A C1C C5C -69(3) . . . . ?
C13A N1A C1C C2C 62(5) . . . . ?
C13A C12A C11A O10A -4(5) . . . . ?
C13A C12A C11A C6A 174(3) . . . . ?
C1C N1A C2A O27A 6(5) . . . . ?
C1C N1A C2A C3A 172(3) . . . . ?
C1C N1A C13A C12A -171(3) . . . . ?
C1C C2C C3C C4C -173.7(17) . . . . ?
C5C C1C C2C C3C -163(2) . . . . ?
C2C C1C C5C O6C -78(4) . . . . ?
C2C C1C C5C O7C 101(3) . . . . ?
C2C C3C C4C N1B -63(3) . . . . ?
C4C N1B C2B O28B -11(6) . . . . ?
C4C N1B C2B C3B 179(4) . . . . ?
C4C N1B C13B C12B -176(3) . . . . ?
C2B N1B C4C C3C 130(4) . . . . ?
C2B N1B C13B C12B -3(4) . . . . ?
C2B C3B C4B C5B 174(3) . . . . ?
C13B N1B C4C C3C -58(4) . . . . ?
C13B N1B C2B O28B 177(3) . . . . ?
C13B N1B C2B C3B 8(4) . . . . ?
C13B C12B C3B C2B 6(4) . . . . ?
C13B C12B C3B C4B -175(3) . . . . ?
C13B C12B C11B O10B 0(5) . . . . ?
C13B C12B C11B C6B 177(3) . . . . ?
C12B C3B C4B C5B -5(5) . . . . ?
C12B C11B C6B C5B 0(5) . . . . ?
C12B C11B C6B C7B 178(3) . . . . ?
C3B C12B C11B O10B -179(3) . . . . ?
C3B C12B C11B C6B -2(4) . . . . ?
C11B O10B C9B C8B -51(3) . . . . ?
C11B O10B C9B C25B -167(3) . . . . ?
C11B O10B C9B C14B 75(3) . . . . ?
C11B C12B C3B C2B -175(3) . . . . ?
C11B C12B C3B C4B 4(5) . . . . ?
C11B C6B C5B O27B -176(3) . . . . ?
C11B C6B C5B C4B -1(5) . . . . ?
C11B C6B C7B C8B 13(4) . . . . ?
C6B C5B C4B C3B 3(5) . . . . ?
C6B C7B C8B O26B 76(3) . . . . ?
C6B C7B C8B C9B -37(4) . . . . ?
C5B C6B C7B C8B -169(3) . . . . ?
C7B C6B C5B O27B 6(5) . . . . ?
C7B C6B C5B C4B -178(3) . . . . ?
C7B C8B C9B O10B 57(3) . . . . ?
C7B C8B C9B C25B 172(3) . . . . ?
C7B C8B C9B C14B -68(3) . . . . ?
C8B C9B C14B C15B -179(2) . . . . ?
C9B O10B C11B C12B -161(3) . . . . ?
C9B O10B C11B C6B 23(5) . . . . ?
C9B C14B C15B C16B -164(4) . . . . ?
C25B C9B C14B C15B -60(3) . . . . ?
C14B C15B C16B C17B -162(3) . . . . ?
C15B C16B C17B C24B -16(5) . . . . ?
C15B C16B C17B C18B 168(4) . . . . ?
C16B C17B C18B C19B 117(3) . . . . ?
C17B C18B C19B C20B -176(3) . . . . ?
C24B C17B C18B C19B -59(5) . . . . ?
C18B C19B C20B C21B 165(3) . . . . ?
C19B C20B C21B C23B 175(3) . . . . ?
C19B C20B C21B C22B -7(5) . . . . ?
