# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cu_glt27_0m
_database_code_depnum_ccdc_archive 'CCDC 2326317'
loop_
_audit_author_name
_audit_author_address
'Kai Guo'
;Chengdu University of Traditional Chinese Medicine
China
;
_audit_update_record             
;
2024-01-18 deposited with the CCDC.	2024-03-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C20 H30 O5), C3 H6 O'
_chemical_formula_sum            'C43 H66 O11'
_chemical_formula_weight         758.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.1840(5)
_cell_length_b                   14.8969(7)
_cell_length_c                   14.1070(7)
_cell_angle_alpha                90
_cell_angle_beta                 108.1710(10)
_cell_angle_gamma                90
_cell_volume                     2033.44(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9896
_cell_measurement_theta_min      4.57
_cell_measurement_theta_max      70.32

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_F_000             824
_exptl_transmission_factor_min   0.4349
_exptl_transmission_factor_max   0.7533
_exptl_crystal_size_max          0.900
_exptl_crystal_size_mid          0.800
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    0.713
_shelx_estimated_absorpt_T_min   0.566
_shelx_estimated_absorpt_T_max   0.814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19231
_diffrn_reflns_av_unetI/netI     0.0503
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.297
_diffrn_reflns_theta_max         70.314
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.823
_diffrn_reflns_point_group_measured_fraction_full 0.843
_reflns_number_total             6390
_reflns_number_gt                6337
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.620
_reflns_Friedel_fraction_max     0.657
_reflns_Friedel_fraction_full    0.682

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1121P)²+0.4084P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0076(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 2340 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(7)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         6390
_refine_ls_number_parameters     504
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0536
_refine_ls_wR_factor_ref         0.1408
_refine_ls_wR_factor_gt          0.1405
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O4 O 0.9463(2) 0.01500(17) 0.98233(17) 0.0191(5) Uani 1 1 d . . . . .
O5 O 0.7982(2) 0.13831(15) 0.88334(15) 0.0138(5) Uani 1 1 d . . . . .
H5 H 0.8810 0.1304 0.9178 0.021 Uiso 1 1 calc R U . . .
O12 O 0.4660(2) -0.01833(17) 0.99218(15) 0.0147(5) Uani 1 1 d . . . . .
O13 O 0.6853(2) 0.09136(15) 1.04705(13) 0.0107(4) Uani 1 1 d . . . . .
O16 O 0.5569(2) 0.17265(17) 1.13001(15) 0.0174(5) Uani 1 1 d . . . . .
H16 H 0.5870 0.1572 1.1902 0.026 Uiso 1 1 calc R U . . .
O12' O 0.6512(2) 0.15658(15) 0.34024(14) 0.0121(4) Uani 1 1 d . . . . .
O13' O 0.8408(2) 0.06317(15) 0.28078(14) 0.0105(4) Uani 1 1 d . . . . .
O16' O 0.6548(2) -0.03195(17) 0.20076(15) 0.0161(5) Uani 1 1 d . . . . .
H16' H 0.6285 -0.0077 0.1442 0.024 Uiso 1 1 calc R U . . .
O5' O 1.1072(2) 0.03051(14) 0.43471(14) 0.0109(4) Uani 1 1 d . . . . .
H5' H 1.1084 0.0228 0.3760 0.016 Uiso 1 1 calc R U . . .
O4' O 0.9399(2) 0.23933(15) 0.35304(15) 0.0129(4) Uani 1 1 d . . . . .
O1S O 0.8360(2) 0.49050(17) 0.74318(16) 0.0182(5) Uani 1 1 d . . . . .
C21 C 1.0131(3) -0.1570(2) 1.0716(2) 0.0201(7) Uani 1 1 d . . . . .
H21A H 1.0504 -0.1376 1.0187 0.030 Uiso 1 1 calc R U . . .
H21B H 1.0493 -0.2167 1.0953 0.030 Uiso 1 1 calc R U . . .
H21C H 1.0406 -0.1143 1.1271 0.030 Uiso 1 1 calc R U . . .
C2 C 0.8587(3) -0.1609(2) 1.03134(19) 0.0126(6) Uani 1 1 d . . . . .
C3 C 0.7772(3) -0.0937(2) 0.9818(2) 0.0124(6) Uani 1 1 d . . . . .
H3 H 0.6802 -0.1034 0.9616 0.015 Uiso 1 1 calc R U . . .
C4 C 0.8250(3) -0.0072(2) 0.9563(2) 0.0119(6) Uani 1 1 d . . . . .
C5 C 0.7200(3) 0.0612(2) 0.8893(2) 0.0098(6) Uani 1 1 d . . . . .
C13 C 0.6109(3) 0.0880(2) 0.94284(18) 0.0088(6) Uani 1 1 d . . . . .
C12 C 0.4945(3) 0.0184(2) 0.9239(2) 0.0085(5) Uani 1 1 d . . . . .
C11 C 0.4246(3) -0.0006(2) 0.81599(19) 0.0096(6) Uani 1 1 d . . . . .
H11 H 0.3898 0.0574 0.7815 0.011 Uiso 1 1 calc R U . . .
C10 C 0.3081(3) -0.0699(2) 0.7850(2) 0.0134(6) Uani 1 1 d . . . . .
H10 H 0.3377 -0.1250 0.8266 0.016 Uiso 1 1 calc R U . . .
C23 C 0.1705(3) -0.0374(3) 0.7951(2) 0.0203(7) Uani 1 1 d . . . . .
H23A H 0.1810 -0.0268 0.8657 0.030 Uiso 1 1 calc R U . . .
H23B H 0.0994 -0.0832 0.7686 0.030 Uiso 1 1 calc R U . . .
H23C H 0.1431 0.0185 0.7576 0.030 Uiso 1 1 calc R U . . .
C1 C 0.7939(3) -0.2469(3) 1.0506(2) 0.0228(7) Uani 1 1 d . . . . .
H1A H 0.8060 -0.2522 1.1221 0.034 Uiso 1 1 calc R U . . .
H1B H 0.8383 -0.2979 1.0291 0.034 Uiso 1 1 calc R U . . .
H1C H 0.6950 -0.2465 1.0132 0.034 Uiso 1 1 calc R U . . .
C6 C 0.6525(3) 0.0252(2) 0.7813(2) 0.0111(6) Uani 1 1 d . . . . .
H6 H 0.6126 0.0784 0.7389 0.013 Uiso 1 1 calc R U . . .
C7 C 0.5332(3) -0.0396(2) 0.77166(19) 0.0106(6) Uani 1 1 d . . . . .
H7 H 0.5715 -0.0958 0.8089 0.013 Uiso 1 1 calc R U . . .
C16 C 0.6653(3) 0.1765(2) 1.0903(2) 0.0134(6) Uani 1 1 d . . . . .
H16A H 0.7523 0.1954 1.1425 0.016 Uiso 1 1 calc R U . . .
C15 C 0.6312(3) 0.2406(2) 1.0031(2) 0.0150(6) Uani 1 1 d . . . . .
H15A H 0.7160 0.2619 0.9901 0.018 Uiso 1 1 calc R U . . .
H15B H 0.5786 0.2930 1.0150 0.018 Uiso 1 1 calc R U . . .
C14 C 0.5427(3) 0.1831(2) 0.9166(2) 0.0107(6) Uani 1 1 d . . . . .
H14 H 0.4489 0.1790 0.9249 0.013 Uiso 1 1 calc R U . . .
C24 C 0.5233(3) 0.2279(2) 0.8156(2) 0.0128(6) Uani 1 1 d . . . . .
H24A H 0.4777 0.2861 0.8138 0.019 Uiso 1 1 calc R U . . .
H24B H 0.4661 0.1894 0.7623 0.019 Uiso 1 1 calc R U . . .
H24C H 0.6137 0.2369 0.8061 0.019 Uiso 1 1 calc R U . . .
C9 C 0.3014(3) -0.0916(2) 0.6766(2) 0.0173(7) Uani 1 1 d . . . . .
H9A H 0.2268 -0.0567 0.6290 0.021 Uiso 1 1 calc R U . . .
H9B H 0.2829 -0.1563 0.6626 0.021 Uiso 1 1 calc R U . . .
C8 C 0.4443(3) -0.0657(2) 0.6661(2) 0.0146(6) Uani 1 1 d . . . . .
H8A H 0.4856 -0.1172 0.6412 0.018 Uiso 1 1 calc R U . . .
H8B H 0.4350 -0.0147 0.6196 0.018 Uiso 1 1 calc R U . . .
C22 C 0.7607(3) -0.0149(2) 0.7388(2) 0.0173(6) Uani 1 1 d . . . . .
H22A H 0.7933 -0.0723 0.7717 0.026 Uiso 1 1 calc R U . . .
H22B H 0.8388 0.0266 0.7505 0.026 Uiso 1 1 calc R U . . .
H22C H 0.7193 -0.0247 0.6669 0.026 Uiso 1 1 calc R U . . .
C21' C 1.0441(3) 0.2439(3) 0.1737(2) 0.0213(7) Uani 1 1 d . . . . .
H21D H 1.0240 0.1973 0.1221 0.032 Uiso 1 1 calc R U . . .
H21E H 1.0645 0.3005 0.1459 0.032 Uiso 1 1 calc R U . . .
H21F H 0.9639 0.2519 0.1971 0.032 Uiso 1 1 calc R U . . .
C2' C 1.1661(3) 0.2163(2) 0.2590(2) 0.0127(6) Uani 1 1 d . . . . .
C3' C 1.1595(3) 0.1886(2) 0.3477(2) 0.0122(6) Uani 1 1 d . . . . .
H3' H 1.2434 0.1717 0.3967 0.015 Uiso 1 1 calc R U . . .
C4' C 1.0305(3) 0.1824(2) 0.37482(18) 0.0099(6) Uani 1 1 d . . . . .
C5' C 1.0125(3) 0.0997(2) 0.43615(19) 0.0085(6) Uani 1 1 d . . . . .
C13' C 0.8598(3) 0.0672(2) 0.38560(18) 0.0080(6) Uani 1 1 d . . . . .
C12' C 0.7548(3) 0.1334(2) 0.40517(19) 0.0075(5) Uani 1 1 d . . . . .
C11' C 0.7864(3) 0.1578(2) 0.51325(18) 0.0081(5) Uani 1 1 d . . . . .
H11' H 0.7786 0.1015 0.5498 0.010 Uiso 1 1 calc R U . . .
C10' C 0.6986(3) 0.2293(2) 0.5431(2) 0.0133(6) Uani 1 1 d . . . . .
H10' H 0.6894 0.2824 0.4981 0.016 Uiso 1 1 calc R U . . .
C23' C 0.5542(3) 0.1975(3) 0.5389(2) 0.0188(7) Uani 1 1 d . . . . .
H23D H 0.5004 0.1842 0.4696 0.028 Uiso 1 1 calc R U . . .
H23E H 0.5078 0.2446 0.5649 0.028 Uiso 1 1 calc R U . . .
H23F H 0.5618 0.1431 0.5794 0.028 Uiso 1 1 calc R U . . .
C16' C 0.7984(3) -0.0246(2) 0.2407(2) 0.0121(6) Uani 1 1 d . . . . .
H16B H 0.8439 -0.0406 0.1896 0.014 Uiso 1 1 calc R U . . .
C15' C 0.8461(3) -0.0863(2) 0.3294(2) 0.0129(6) Uani 1 1 d . . . . .
H15C H 0.9448 -0.1021 0.3439 0.016 Uiso 1 1 calc R U . . .
H15D H 0.7904 -0.1420 0.3185 0.016 Uiso 1 1 calc R U . . .
C14' C 0.8231(3) -0.0300(2) 0.41359(19) 0.0099(6) Uani 1 1 d . . . . .
H14' H 0.7216 -0.0308 0.4043 0.012 Uiso 1 1 calc R U . . .
C24' C 0.8954(3) -0.0705(2) 0.5161(2) 0.0128(6) Uani 1 1 d . . . . .
H24D H 0.8600 -0.1313 0.5193 0.019 Uiso 1 1 calc R U . . .
H24E H 0.8775 -0.0331 0.5678 0.019 Uiso 1 1 calc R U . . .
H24F H 0.9952 -0.0733 0.5268 0.019 Uiso 1 1 calc R U . . .
C6' C 1.0428(3) 0.1269(2) 0.54691(19) 0.0084(5) Uani 1 1 d . . . . .
H6' H 1.0359 0.0714 0.5849 0.010 Uiso 1 1 calc R U . . .
C22' C 1.1901(3) 0.1640(2) 0.5919(2) 0.0134(6) Uani 1 1 d . . . . .
H22D H 1.1982 0.2213 0.5601 0.020 Uiso 1 1 calc R U . . .
H22E H 1.2566 0.1210 0.5806 0.020 Uiso 1 1 calc R U . . .
H22F H 1.2095 0.1732 0.6638 0.020 Uiso 1 1 calc R U . . .
C7' C 0.9345(3) 0.1928(2) 0.55900(18) 0.0092(6) Uani 1 1 d . . . . .
H7' H 0.9438 0.2502 0.5249 0.011 Uiso 1 1 calc R U . . .
C8' C 0.9353(3) 0.2146(2) 0.6654(2) 0.0129(6) Uani 1 1 d . . . . .
H8'1 H 1.0092 0.2581 0.6976 0.015 Uiso 1 1 calc R U . . .
H8'2 H 0.9484 0.1597 0.7067 0.015 Uiso 1 1 calc R U . . .
C9' C 0.7906(3) 0.2559(3) 0.6497(2) 0.0192(7) Uani 1 1 d . . . . .
H9'1 H 0.7974 0.3220 0.6561 0.023 Uiso 1 1 calc R U . . .
H9'2 H 0.7504 0.2324 0.7002 0.023 Uiso 1 1 calc R U . . .
C1' C 1.3015(3) 0.2165(2) 0.2370(2) 0.0183(6) Uani 1 1 d . . . . .
H1'1 H 1.3765 0.2013 0.2978 0.027 Uiso 1 1 calc R U . . .
H1'2 H 1.3180 0.2762 0.2139 0.027 Uiso 1 1 calc R U . . .
H1'3 H 1.2983 0.1721 0.1851 0.027 Uiso 1 1 calc R U . . .
C2S C 0.6969(4) 0.4848(3) 0.8499(3) 0.0235(7) Uani 1 1 d . . . . .
H2S1 H 0.6715 0.4243 0.8651 0.035 Uiso 1 1 calc R U . . .
H2S2 H 0.6219 0.5266 0.8481 0.035 Uiso 1 1 calc R U . . .
H2S3 H 0.7814 0.5038 0.9016 0.035 Uiso 1 1 calc R U . . .
C1S C 0.7215(3) 0.4845(2) 0.7501(2) 0.0164(6) Uani 1 1 d . . . . .
C3S C 0.5962(4) 0.4751(3) 0.6600(3) 0.0279(8) Uani 1 1 d . . . . .
H3S1 H 0.6251 0.4696 0.6001 0.042 Uiso 1 1 calc R U . . .
H3S2 H 0.5373 0.5281 0.6540 0.042 Uiso 1 1 calc R U . . .
H3S3 H 0.5445 0.4213 0.6669 0.042 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O4 C4 1.219(4) . ?
O5 C5 1.416(4) . ?
O5 H5 0.8400 . ?
O12 C12 1.219(4) . ?
O13 C13 1.430(3) . ?
O13 C16 1.449(4) . ?
O16 C16 1.387(4) . ?
O16 H16 0.8400 . ?
O12' C12' 1.212(3) . ?
O13' C13' 1.431(3) . ?
O13' C16' 1.436(4) . ?
O16' C16' 1.398(4) . ?
O16' H16' 0.8400 . ?
O5' C5' 1.416(3) . ?
O5' H5' 0.8400 . ?
O4' C4' 1.220(4) . ?
O1S C1S 1.204(4) . ?
C21 C2 1.497(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C2 C3 1.348(5) . ?
C2 C1 1.504(5) . ?
C3 C4 1.461(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.564(4) . ?
C5 C6 1.558(4) . ?
C5 C13 1.578(4) . ?
C13 C12 1.535(4) . ?
C13 C14 1.569(4) . ?
C12 C11 1.492(3) . ?
C11 C10 1.530(4) . ?
C11 C7 1.544(4) . ?
C11 H11 1.0000 . ?
C10 C23 1.531(4) . ?
C10 C9 1.543(4) . ?
C10 H10 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C6 C7 1.524(4) . ?
C6 C22 1.530(4) . ?
C6 H6 1.0000 . ?
C7 C8 1.532(4) . ?
C7 H7 1.0000 . ?
C16 C15 1.510(4) . ?
C16 H16A 1.0000 . ?
C15 C14 1.533(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C14 C24 1.528(4) . ?
C14 H14 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C9 C8 1.557(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C21' C2' 1.492(4) . ?
C21' H21D 0.9800 . ?
C21' H21E 0.9800 . ?
C21' H21F 0.9800 . ?
C2' C3' 1.339(4) . ?
C2' C1' 1.506(4) . ?
C3' C4' 1.481(4) . ?
C3' H3' 0.9500 . ?
C4' C5' 1.549(4) . ?
C5' C6' 1.549(3) . ?
C5' C13' 1.572(4) . ?
C13' C12' 1.542(4) . ?
C13' C14' 1.576(4) . ?
C12' C11' 1.501(3) . ?
C11' C10' 1.532(4) . ?
C11' C7' 1.535(4) . ?
C11' H11' 1.0000 . ?
C10' C23' 1.528(4) . ?
C10' C9' 1.554(4) . ?
C10' H10' 1.0000 . ?
C23' H23D 0.9800 . ?
C23' H23E 0.9800 . ?
C23' H23F 0.9800 . ?
C16' C15' 1.505(4) . ?
C16' H16B 1.0000 . ?
C15' C14' 1.531(4) . ?
C15' H15C 0.9900 . ?
C15' H15D 0.9900 . ?
C14' C24' 1.528(4) . ?
C14' H14' 1.0000 . ?
C24' H24D 0.9800 . ?
C24' H24E 0.9800 . ?
C24' H24F 0.9800 . ?
C6' C7' 1.525(4) . ?
C6' C22' 1.538(4) . ?
C6' H6' 1.0000 . ?
C22' H22D 0.9800 . ?
C22' H22E 0.9800 . ?
C22' H22F 0.9800 . ?
C7' C8' 1.533(3) . ?
C7' H7' 1.0000 . ?
C8' C9' 1.547(4) . ?
C8' H8'1 0.9900 . ?
C8' H8'2 0.9900 . ?
C9' H9'1 0.9900 . ?
C9' H9'2 0.9900 . ?
C1' H1'1 0.9800 . ?
C1' H1'2 0.9800 . ?
C1' H1'3 0.9800 . ?
C2S C1S 1.505(4) . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 0.9800 . ?
C1S C3S 1.501(5) . ?
C3S H3S1 0.9800 . ?
C3S H3S2 0.9800 . ?
C3S H3S3 0.9800 . ?

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
C5 O5 H5 109.5 . . ?
C13 O13 C16 111.4(2) . . ?
C16 O16 H16 109.5 . . ?
C13' O13' C16' 111.8(2) . . ?
C16' O16' H16' 109.5 . . ?
C5' O5' H5' 109.5 . . ?
C2 C21 H21A 109.5 . . ?
C2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C3 C2 C21 124.9(3) . . ?
C3 C2 C1 119.5(3) . . ?
C21 C2 C1 115.6(3) . . ?
C2 C3 C4 125.8(3) . . ?
C2 C3 H3 117.1 . . ?
C4 C3 H3 117.1 . . ?
O4 C4 C3 123.3(3) . . ?
O4 C4 C5 116.3(3) . . ?
C3 C4 C5 120.4(2) . . ?
O5 C5 C6 107.8(2) . . ?
O5 C5 C4 105.8(2) . . ?
C6 C5 C4 112.1(2) . . ?
O5 C5 C13 108.4(2) . . ?
C6 C5 C13 113.2(2) . . ?
C4 C5 C13 109.1(2) . . ?
O13 C13 C12 109.6(2) . . ?
O13 C13 C14 105.4(2) . . ?
C12 C13 C14 108.0(2) . . ?
O13 C13 C5 105.9(2) . . ?
C12 C13 C5 111.5(2) . . ?
C14 C13 C5 116.2(2) . . ?
O12 C12 C11 124.5(3) . . ?
O12 C12 C13 121.8(2) . . ?
C11 C12 C13 113.7(2) . . ?
C12 C11 C10 120.0(2) . . ?
C12 C11 C7 108.1(2) . . ?
C10 C11 C7 102.7(2) . . ?
C12 C11 H11 108.5 . . ?
C10 C11 H11 108.5 . . ?
C7 C11 H11 108.5 . . ?
C11 C10 C23 114.2(3) . . ?
C11 C10 C9 102.5(2) . . ?
C23 C10 C9 113.6(2) . . ?
C11 C10 H10 108.8 . . ?
C23 C10 H10 108.8 . . ?
C9 C10 H10 108.8 . . ?
C10 C23 H23A 109.5 . . ?
C10 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C10 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C7 C6 C22 111.7(3) . . ?
C7 C6 C5 113.6(2) . . ?
C22 C6 C5 111.5(2) . . ?
C7 C6 H6 106.5 . . ?
C22 C6 H6 106.5 . . ?
C5 C6 H6 106.5 . . ?
C6 C7 C8 117.4(2) . . ?
C6 C7 C11 112.2(2) . . ?
C8 C7 C11 102.0(2) . . ?
C6 C7 H7 108.3 . . ?
C8 C7 H7 108.3 . . ?
C11 C7 H7 108.3 . . ?
O16 C16 O13 111.7(2) . . ?
O16 C16 C15 110.2(2) . . ?
O13 C16 C15 103.8(2) . . ?
O16 C16 H16A 110.4 . . ?
O13 C16 H16A 110.4 . . ?
C15 C16 H16A 110.4 . . ?
C16 C15 C14 102.9(2) . . ?
C16 C15 H15A 111.2 . . ?
C14 C15 H15A 111.2 . . ?
C16 C15 H15B 111.2 . . ?
C14 C15 H15B 111.2 . . ?
H15A C15 H15B 109.1 . . ?
C24 C14 C15 111.8(3) . . ?
C24 C14 C13 122.2(2) . . ?
C15 C14 C13 102.1(2) . . ?
C24 C14 H14 106.6 . . ?
C15 C14 H14 106.6 . . ?
C13 C14 H14 106.6 . . ?
C14 C24 H24A 109.5 . . ?
C14 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C14 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C10 C9 C8 106.7(2) . . ?
C10 C9 H9A 110.4 . . ?
C8 C9 H9A 110.4 . . ?
C10 C9 H9B 110.4 . . ?
C8 C9 H9B 110.4 . . ?
H9A C9 H9B 108.6 . . ?
C7 C8 C9 104.9(2) . . ?
C7 C8 H8A 110.8 . . ?
C9 C8 H8A 110.8 . . ?
C7 C8 H8B 110.8 . . ?
C9 C8 H8B 110.8 . . ?
H8A C8 H8B 108.8 . . ?
C6 C22 H22A 109.5 . . ?
C6 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C6 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C2' C21' H21D 109.5 . . ?
C2' C21' H21E 109.5 . . ?
H21D C21' H21E 109.5 . . ?
C2' C21' H21F 109.5 . . ?
H21D C21' H21F 109.5 . . ?
H21E C21' H21F 109.5 . . ?
C3' C2' C21' 124.6(3) . . ?
C3' C2' C1' 120.6(3) . . ?
C21' C2' C1' 114.8(3) . . ?
C2' C3' C4' 124.5(3) . . ?
C2' C3' H3' 117.7 . . ?
C4' C3' H3' 117.7 . . ?
O4' C4' C3' 123.7(3) . . ?
O4' C4' C5' 118.8(2) . . ?
C3' C4' C5' 117.5(2) . . ?
O5' C5' C4' 111.8(2) . . ?
O5' C5' C6' 106.4(2) . . ?
C4' C5' C6' 109.5(2) . . ?
O5' C5' C13' 110.6(2) . . ?
C4' C5' C13' 105.3(2) . . ?
C6' C5' C13' 113.3(2) . . ?
O13' C13' C12' 109.5(2) . . ?
O13' C13' C5' 106.1(2) . . ?
C12' C13' C5' 111.4(2) . . ?
O13' C13' C14' 104.7(2) . . ?
C12' C13' C14' 108.1(2) . . ?
C5' C13' C14' 116.6(2) . . ?
O12' C12' C11' 124.0(3) . . ?
O12' C12' C13' 122.4(2) . . ?
C11' C12' C13' 113.3(2) . . ?
C12' C11' C10' 119.3(2) . . ?
C12' C11' C7' 112.4(2) . . ?
C10' C11' C7' 103.3(2) . . ?
C12' C11' H11' 107.1 . . ?
C10' C11' H11' 107.1 . . ?
C7' C11' H11' 107.1 . . ?
C23' C10' C11' 114.3(3) . . ?
C23' C10' C9' 113.5(2) . . ?
C11' C10' C9' 102.4(2) . . ?
C23' C10' H10' 108.8 . . ?
C11' C10' H10' 108.8 . . ?
C9' C10' H10' 108.8 . . ?
C10' C23' H23D 109.5 . . ?
C10' C23' H23E 109.5 . . ?
H23D C23' H23E 109.5 . . ?
C10' C23' H23F 109.5 . . ?
H23D C23' H23F 109.5 . . ?
H23E C23' H23F 109.5 . . ?
O16' C16' O13' 112.2(2) . . ?
O16' C16' C15' 108.3(2) . . ?
O13' C16' C15' 104.4(2) . . ?
O16' C16' H16B 110.6 . . ?
O13' C16' H16B 110.6 . . ?
C15' C16' H16B 110.6 . . ?
C16' C15' C14' 102.9(2) . . ?
C16' C15' H15C 111.2 . . ?
C14' C15' H15C 111.2 . . ?
C16' C15' H15D 111.2 . . ?
C14' C15' H15D 111.2 . . ?
H15C C15' H15D 109.1 . . ?
C24' C14' C15' 111.8(2) . . ?
C24' C14' C13' 121.2(2) . . ?
C15' C14' C13' 101.7(2) . . ?
C24' C14' H14' 107.1 . . ?
C15' C14' H14' 107.1 . . ?
C13' C14' H14' 107.1 . . ?
C14' C24' H24D 109.5 . . ?
C14' C24' H24E 109.5 . . ?
H24D C24' H24E 109.5 . . ?
C14' C24' H24F 109.5 . . ?
H24D C24' H24F 109.5 . . ?
H24E C24' H24F 109.5 . . ?
C7' C6' C22' 111.7(2) . . ?
C7' C6' C5' 110.9(2) . . ?
C22' C6' C5' 111.9(2) . . ?
C7' C6' H6' 107.4 . . ?
C22' C6' H6' 107.4 . . ?
C5' C6' H6' 107.4 . . ?
C6' C22' H22D 109.5 . . ?
C6' C22' H22E 109.5 . . ?
H22D C22' H22E 109.5 . . ?
C6' C22' H22F 109.5 . . ?
H22D C22' H22F 109.5 . . ?
H22E C22' H22F 109.5 . . ?
C6' C7' C8' 117.6(2) . . ?
C6' C7' C11' 112.6(2) . . ?
C8' C7' C11' 100.8(2) . . ?
C6' C7' H7' 108.4 . . ?
C8' C7' H7' 108.4 . . ?
C11' C7' H7' 108.4 . . ?
C7' C8' C9' 103.3(2) . . ?
C7' C8' H8'1 111.1 . . ?
C9' C8' H8'1 111.1 . . ?
C7' C8' H8'2 111.1 . . ?
C9' C8' H8'2 111.1 . . ?
H8'1 C8' H8'2 109.1 . . ?
C8' C9' C10' 107.3(2) . . ?
C8' C9' H9'1 110.3 . . ?
C10' C9' H9'1 110.3 . . ?
C8' C9' H9'2 110.3 . . ?
C10' C9' H9'2 110.3 . . ?
H9'1 C9' H9'2 108.5 . . ?
C2' C1' H1'1 109.5 . . ?
C2' C1' H1'2 109.5 . . ?
H1'1 C1' H1'2 109.5 . . ?
C2' C1' H1'3 109.5 . . ?
H1'1 C1' H1'3 109.5 . . ?
H1'2 C1' H1'3 109.5 . . ?
C1S C2S H2S1 109.5 . . ?
C1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
C1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
O1S C1S C3S 121.8(3) . . ?
O1S C1S C2S 121.6(3) . . ?
C3S C1S C2S 116.6(3) . . ?
C1S C3S H3S1 109.5 . . ?
C1S C3S H3S2 109.5 . . ?
H3S1 C3S H3S2 109.5 . . ?
C1S C3S H3S3 109.5 . . ?
H3S1 C3S H3S3 109.5 . . ?
H3S2 C3S H3S3 109.5 . . ?

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
C21 C2 C3 C4 1.9(5) . . . . ?
C1 C2 C3 C4 -179.0(3) . . . . ?
C2 C3 C4 O4 -3.8(5) . . . . ?
C2 C3 C4 C5 173.9(3) . . . . ?
O4 C4 C5 O5 -4.8(3) . . . . ?
C3 C4 C5 O5 177.3(2) . . . . ?
O4 C4 C5 C6 112.5(3) . . . . ?
C3 C4 C5 C6 -65.4(3) . . . . ?
O4 C4 C5 C13 -121.3(3) . . . . ?
C3 C4 C5 C13 60.8(3) . . . . ?
C16 O13 C13 C12 -112.8(2) . . . . ?
C16 O13 C13 C14 3.1(3) . . . . ?
C16 O13 C13 C5 126.8(2) . . . . ?
O5 C5 C13 O13 -78.5(3) . . . . ?
C6 C5 C13 O13 161.9(2) . . . . ?
C4 C5 C13 O13 36.3(3) . . . . ?
O5 C5 C13 C12 162.3(2) . . . . ?
C6 C5 C13 C12 42.7(3) . . . . ?
C4 C5 C13 C12 -82.9(3) . . . . ?
O5 C5 C13 C14 38.1(3) . . . . ?
C6 C5 C13 C14 -81.5(3) . . . . ?
C4 C5 C13 C14 152.9(2) . . . . ?
O13 C13 C12 O12 7.6(4) . . . . ?
C14 C13 C12 O12 -106.7(3) . . . . ?
C5 C13 C12 O12 124.6(3) . . . . ?
O13 C13 C12 C11 -171.0(2) . . . . ?
C14 C13 C12 C11 74.7(3) . . . . ?
C5 C13 C12 C11 -54.0(3) . . . . ?
O12 C12 C11 C10 0.3(4) . . . . ?
C13 C12 C11 C10 178.8(2) . . . . ?
O12 C12 C11 C7 -116.7(3) . . . . ?
C13 C12 C11 C7 61.8(3) . . . . ?
C12 C11 C10 C23 75.2(3) . . . . ?
C7 C11 C10 C23 -165.0(2) . . . . ?
C12 C11 C10 C9 -161.5(3) . . . . ?
C7 C11 C10 C9 -41.7(3) . . . . ?
O5 C5 C6 C7 -162.9(2) . . . . ?
C4 C5 C6 C7 81.0(3) . . . . ?
C13 C5 C6 C7 -43.0(3) . . . . ?
O5 C5 C6 C22 69.8(3) . . . . ?
C4 C5 C6 C22 -46.3(3) . . . . ?
C13 C5 C6 C22 -170.3(3) . . . . ?
C22 C6 C7 C8 -63.3(3) . . . . ?
C5 C6 C7 C8 169.6(3) . . . . ?
C22 C6 C7 C11 179.0(2) . . . . ?
C5 C6 C7 C11 51.8(3) . . . . ?
C12 C11 C7 C6 -59.9(3) . . . . ?
C10 C11 C7 C6 172.3(2) . . . . ?
C12 C11 C7 C8 173.5(2) . . . . ?
C10 C11 C7 C8 45.8(3) . . . . ?
C13 O13 C16 O16 93.0(3) . . . . ?
C13 O13 C16 C15 -25.6(3) . . . . ?
O16 C16 C15 C14 -82.3(3) . . . . ?
O13 C16 C15 C14 37.3(3) . . . . ?
C16 C15 C14 C24 -167.1(2) . . . . ?
C16 C15 C14 C13 -34.8(3) . . . . ?
O13 C13 C14 C24 145.8(2) . . . . ?
C12 C13 C14 C24 -97.1(3) . . . . ?
C5 C13 C14 C24 28.9(4) . . . . ?
O13 C13 C14 C15 20.1(3) . . . . ?
C12 C13 C14 C15 137.2(2) . . . . ?
C5 C13 C14 C15 -96.8(3) . . . . ?
C11 C10 C9 C8 22.0(3) . . . . ?
C23 C10 C9 C8 145.8(3) . . . . ?
C6 C7 C8 C9 -154.3(3) . . . . ?
C11 C7 C8 C9 -31.3(3) . . . . ?
C10 C9 C8 C7 5.9(3) . . . . ?
C21' C2' C3' C4' -0.9(5) . . . . ?
C1' C2' C3' C4' -177.4(3) . . . . ?
C2' C3' C4' O4' -42.0(5) . . . . ?
C2' C3' C4' C5' 139.4(3) . . . . ?
O4' C4' C5' O5' 165.7(2) . . . . ?
C3' C4' C5' O5' -15.6(3) . . . . ?
O4' C4' C5' C6' -76.6(3) . . . . ?
C3' C4' C5' C6' 102.1(3) . . . . ?
O4' C4' C5' C13' 45.6(3) . . . . ?
C3' C4' C5' C13' -135.7(2) . . . . ?
C16' O13' C13' C12' -116.4(3) . . . . ?
C16' O13' C13' C5' 123.2(2) . . . . ?
C16' O13' C13' C14' -0.7(3) . . . . ?
O5' C5' C13' O13' -72.5(3) . . . . ?
C4' C5' C13' O13' 48.4(3) . . . . ?
C6' C5' C13' O13' 168.1(2) . . . . ?
O5' C5' C13' C12' 168.3(2) . . . . ?
C4' C5' C13' C12' -70.7(3) . . . . ?
C6' C5' C13' C12' 48.9(3) . . . . ?
O5' C5' C13' C14' 43.6(3) . . . . ?
C4' C5' C13' C14' 164.5(2) . . . . ?
C6' C5' C13' C14' -75.8(3) . . . . ?
O13' C13' C12' O12' 18.8(4) . . . . ?
C5' C13' C12' O12' 135.9(3) . . . . ?
C14' C13' C12' O12' -94.7(3) . . . . ?
O13' C13' C12' C11' -167.2(2) . . . . ?
C5' C13' C12' C11' -50.1(3) . . . . ?
C14' C13' C12' C11' 79.3(3) . . . . ?
O12' C12' C11' C10' -11.5(4) . . . . ?
C13' C12' C11' C10' 174.7(2) . . . . ?
O12' C12' C11' C7' -132.5(3) . . . . ?
C13' C12' C11' C7' 53.6(3) . . . . ?
C12' C11' C10' C23' 74.3(3) . . . . ?
C7' C11' C10' C23' -160.2(2) . . . . ?
C12' C11' C10' C9' -162.4(3) . . . . ?
C7' C11' C10' C9' -36.9(3) . . . . ?
C13' O13' C16' O16' 94.5(3) . . . . ?
C13' O13' C16' C15' -22.6(3) . . . . ?
O16' C16' C15' C14' -83.3(3) . . . . ?
O13' C16' C15' C14' 36.4(3) . . . . ?
C16' C15' C14' C24' -166.7(2) . . . . ?
C16' C15' C14' C13' -35.8(3) . . . . ?
O13' C13' C14' C24' 147.7(2) . . . . ?
C12' C13' C14' C24' -95.6(3) . . . . ?
C5' C13' C14' C24' 30.8(3) . . . . ?
O13' C13' C14' C15' 23.0(3) . . . . ?
C12' C13' C14' C15' 139.6(2) . . . . ?
C5' C13' C14' C15' -94.0(2) . . . . ?
O5' C5' C6' C7' -172.6(2) . . . . ?
C4' C5' C6' C7' 66.3(3) . . . . ?
C13' C5' C6' C7' -50.9(3) . . . . ?
O5' C5' C6' C22' 61.9(3) . . . . ?
C4' C5' C6' C22' -59.1(3) . . . . ?
C13' C5' C6' C22' -176.4(2) . . . . ?
C22' C6' C7' C8' -64.2(3) . . . . ?
C5' C6' C7' C8' 170.2(2) . . . . ?
C22' C6' C7' C11' 179.2(2) . . . . ?
C5' C6' C7' C11' 53.6(3) . . . . ?
C12' C11' C7' C6' -55.6(3) . . . . ?
C10' C11' C7' C6' 174.6(2) . . . . ?
C12' C11' C7' C8' 178.2(2) . . . . ?
C10' C11' C7' C8' 48.4(3) . . . . ?
C6' C7' C8' C9' -162.5(3) . . . . ?
C11' C7' C8' C9' -39.7(3) . . . . ?
C7' C8' C9' C10' 17.4(3) . . . . ?
C23' C10' C9' C8' 135.6(3) . . . . ?
C11' C10' C9' C8' 11.9(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C15' H15C O5' 0.99 2.64 3.137(4) 111.4 .
O5' H5' O1S 0.84 1.99 2.809(3) 163.8 2_746
O16' H16' O13 0.84 2.21 2.931(3) 144.0 1_554
O16' H16' O12 0.84 2.27 2.978(3) 142.2 1_554
O16 H16 O12' 0.84 2.01 2.828(3) 164.1 1_556
O5 H5 O4 0.84 1.96 2.507(3) 121.7 .
C15' H15C O5' 0.99 2.64 3.137(4) 111.4 .
O5' H5' O1S 0.84 1.99 2.809(3) 163.8 2_746
O16' H16' O13 0.84 2.21 2.931(3) 144.0 1_554
O16' H16' O12 0.84 2.27 2.978(3) 142.2 1_554
O16 H16 O12' 0.84 2.01 2.828(3) 164.1 1_556
O5 H5 O4 0.84 1.96 2.507(3) 121.7 .
C15' H15C O5' 0.99 2.64 3.137(4) 111.4 .
O5' H5' O1S 0.84 1.99 2.809(3) 163.8 2_746
O16' H16' O13 0.84 2.21 2.931(3) 144.0 1_554
O16' H16' O12 0.84 2.27 2.978(3) 142.2 1_554
O16 H16 O12' 0.84 2.01 2.828(3) 164.1 1_556
O5 H5 O4 0.84 1.96 2.507(3) 121.7 .
O5 H5 O4 0.84 1.96 2.507(3) 121.7 .
O16 H16 O12' 0.84 2.01 2.828(3) 164.1 1_556
O16' H16' O12 0.84 2.27 2.978(3) 142.2 1_554
O16' H16' O13 0.84 2.21 2.931(3) 144.0 1_554
O5' H5' O1S 0.84 1.99 2.809(3) 163.8 2_746
C15' H15C O5' 0.99 2.64 3.137(4) 111.4 .
O5 H5 O4 0.84 1.96 2.507(3) 121.7 .
O16 H16 O12' 0.84 2.01 2.828(3) 164.1 1_556
O16' H16' O12 0.84 2.27 2.978(3) 142.2 1_554
O16' H16' O13 0.84 2.21 2.931(3) 144.0 1_554
O5' H5' O1S 0.84 1.99 2.809(3) 163.8 2_746
C15' H15C O5' 0.99 2.64 3.137(4) 111.4 .
O5 H5 O4 0.84 1.96 2.507(3) 121.7 .
O16 H16 O12' 0.84 2.01 2.828(3) 164.1 1_556
O16' H16' O12 0.84 2.27 2.978(3) 142.2 1_554
O16' H16' O13 0.84 2.21 2.931(3) 144.0 1_554
O5' H5' O1S 0.84 1.99 2.809(3) 163.8 2_746
C15' H15C O5' 0.99 2.64 3.137(4) 111.4 .

_refine_diff_density_max         0.405
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.086

