##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]-
2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene
;
_chemical_name_common     ?
_chemical_formula_moiety     'C76 H80 O16'
_chemical_formula_sum     'C76 H80 O16'
_chemical_formula_iupac     'C76 H80 O16'
_chemical_formula_weight     1249.40
_chemical_melting_point     387
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21'
_symmetry_space_group_name_hall     'P 2yb'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z'
_cell_length_a     14.1361(7)
_cell_length_b     32.2264(17)
_cell_length_c     28.9417(16)
_cell_angle_alpha     90.00
_cell_angle_beta     90.5720(10)
_cell_angle_gamma     90.00
_cell_volume     13183.9(12)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     126694
_cell_measurement_theta_min     1.60
_cell_measurement_theta_max     28.34
_cell_measurement_temperature     173(2)
_cell_special_details     PHTMTMES
_exptl_crystal_description     Block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.41
_exptl_crystal_size_mid     0.33
_exptl_crystal_size_min     0.29
_exptl_crystal_density_diffrn     1.259
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     5312
_exptl_absorpt_coefficient_mu     0.088
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2006)'
_exptl_absorpt_correction_T_min     0.9650
_exptl_absorpt_correction_T_max     0.9750
_exptl_special_details     ?
_diffrn_ambient_temperature     173(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker Kappa DUO APEXII'
_diffrn_measurement_method     '0.5° φ scans and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     126671
_diffrn_reflns_av_R_equivalents     0.0718
_diffrn_reflns_av_sigmaI/netI     0.0687
_diffrn_reflns_theta_min     1.60
_diffrn_reflns_theta_max     28.34
_diffrn_reflns_theta_full     28.34
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -18
_diffrn_reflns_limit_h_max     18
_diffrn_reflns_limit_k_min     -42
_diffrn_reflns_limit_k_max     42
_diffrn_reflns_limit_l_min     -38
_diffrn_reflns_limit_l_max     38
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     33391
_reflns_number_gt     23289
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0879
_refine_ls_R_factor_gt     0.0561
_refine_ls_wR_factor_gt     0.1438
_refine_ls_wR_factor_ref     0.1624
_refine_ls_goodness_of_fit_ref     1.021
_refine_ls_restrained_S_all     1.021
_refine_ls_number_reflns     33391
_refine_ls_number_parameters     3345
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0912P)²+0.2410P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.439
_refine_diff_density_min     -0.334
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0000
                         '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'
    'O' 'O' 0.0106 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2006)'
_computing_cell_refinement     'SAINT (Bruker, 2006)'
_computing_data_reduction     'SAINT (Bruker, 2006)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    O O1A 0.5977(2) 0.06377(9) 0.62469(8) 0.0406(7) Uani d . 1 1 . .
    O O2A 0.73848(19) 0.19974(8) 0.63413(8) 0.0345(6) Uani d . 1 1 . .
    O O3A 0.8421(3) 0.15922(14) 0.70321(12) 0.0741(11) Uani d . 1 1 . .
    O O4A 0.9771(2) 0.17877(12) 0.66923(14) 0.0676(10) Uani d . 1 1 . .
    O O5A 0.90039(17) 0.18472(9) 0.52995(8) 0.0353(6) Uani d . 1 1 . .
    O O6A 0.91179(17) 0.19634(8) 0.36350(8) 0.0311(5) Uani d . 1 1 . .
    O O7A 0.9798(2) 0.13462(11) 0.27089(11) 0.0570(8) Uani d . 1 1 . .
    O O8A 1.0272(2) 0.19763(9) 0.29379(9) 0.0448(7) Uani d . 1 1 . .
    O O9A 0.7815(2) 0.20481(9) 0.26602(8) 0.0383(6) Uani d . 1 1 . .
    O O10A 0.6606(2) 0.06387(9) 0.25759(8) 0.0410(7) Uani d . 1 1 . .
    O O11A 0.8362(3) 0.03043(16) 0.23211(16) 0.0933(15) Uani d . 1 1 . .
    O O12A 0.8293(2) 0.07451(13) 0.17483(12) 0.0655(10) Uani d . 1 1 . .
    O O13A 0.79804(19) 0.04378(9) 0.36270(9) 0.0410(6) Uani d . 1 1 . .
    O O14A 0.77605(17) 0.04228(8) 0.53017(8) 0.0305(5) Uani d . 1 1 . .
    O O15A 0.9510(3) 0.08568(16) 0.60233(14) 0.0932(16) Uani d . 1 1 . .
    O O16A 0.8347(2) 0.04065(9) 0.61531(9) 0.0447(7) Uani d . 1 1 . .
    C C1A 0.6302(2) 0.10053(10) 0.55664(11) 0.0249(7) Uani d . 1 1 . .
    C C2A 0.6351(3) 0.09882(11) 0.60507(11) 0.0291(8) Uani d . 1 1 . .
    C C3A 0.6740(3) 0.13123(12) 0.62974(11) 0.0319(8) Uani d . 1 1 . .
    H H3A 0.6800 0.1293 0.6624 0.038 Uiso calc R 1 1 . .
    C C4A 0.7045(3) 0.16686(11) 0.60716(11) 0.0281(7) Uani d . 1 1 . .
    C C5A 0.6969(2) 0.17097(11) 0.55929(11) 0.0244(7) Uani d . 1 1 . .
    C C6A 0.6609(2) 0.13684(10) 0.53538(10) 0.0241(7) Uani d . 1 1 . .
    H H6A 0.6570 0.1384 0.5026 0.029 Uiso calc R 1 1 . .
    C C7A 0.7166(2) 0.21170(10) 0.53441(10) 0.0235(7) Uani d . 1 1 . .
    H H7A 0.7597 0.2288 0.5544 0.028 Uiso calc R 1 1 . .
    C C8A 0.7647(2) 0.20475(10) 0.48799(11) 0.0240(7) Uani d . 1 1 . .
    C C9A 0.8593(2) 0.19183(11) 0.48741(11) 0.0250(7) Uani d . 1 1 . .
    C C10A 0.9078(2) 0.18738(12) 0.44612(12) 0.0289(7) Uani d . 1 1 . .
    H H10A 0.9719 0.1785 0.4463 0.035 Uiso calc R 1 1 . .
    C C11A 0.8616(2) 0.19601(10) 0.40468(11) 0.0246(7) Uani d . 1 1 . .
    C C12A 0.7668(2) 0.20724(10) 0.40281(11) 0.0248(7) Uani d . 1 1 . .
    C C13A 0.7203(2) 0.21126(10) 0.44541(10) 0.0243(7) Uani d . 1 1 . .
    H H13A 0.6554 0.2188 0.4451 0.029 Uiso calc R 1 1 . .
    C C14A 0.7196(2) 0.21474(11) 0.35646(11) 0.0261(7) Uani d . 1 1 . .
    H H14A 0.7629 0.2329 0.3382 0.031 Uiso calc R 1 1 . .
    C C15A 0.7084(2) 0.17450(11) 0.33004(10) 0.0251(7) Uani d . 1 1 . .
    C C16A 0.7378(2) 0.17095(12) 0.28416(11) 0.0282(7) Uani d . 1 1 . .
    C C17A 0.7240(3) 0.13437(12) 0.25938(11) 0.0308(8) Uani d . 1 1 . .
    H H17A 0.7439 0.1325 0.2282 0.037 Uiso calc R 1 1 . .
    C C18A 0.6811(3) 0.10060(12) 0.28029(11) 0.0311(8) Uani d . 1 1 . .
    C C19A 0.6537(2) 0.10221(11) 0.32679(11) 0.0278(7) Uani d . 1 1 . .
    C C20A 0.6681(2) 0.13929(11) 0.34998(11) 0.0268(7) Uani d . 1 1 . .
    H H20A 0.6494 0.1409 0.3814 0.032 Uiso calc R 1 1 . .
    C C21A 0.6119(3) 0.06472(12) 0.35088(11) 0.0295(8) Uani d . 1 1 . .
    H H21A 0.6293 0.0396 0.3325 0.035 Uiso calc R 1 1 . .
    C C22A 0.6556(3) 0.05972(10) 0.39928(11) 0.0271(7) Uani d . 1 1 . .
    C C23A 0.7510(3) 0.04899(11) 0.40365(12) 0.0305(7) Uani d . 1 1 . .
    C C24A 0.7927(2) 0.04358(11) 0.44714(12) 0.0296(7) Uani d . 1 1 . .
    H H24A 0.8578 0.0367 0.4498 0.035 Uiso calc R 1 1 . .
    C C25A 0.7386(2) 0.04828(11) 0.48638(11) 0.0261(7) Uani d . 1 1 . .
    C C26A 0.6427(2) 0.05874(10) 0.48386(11) 0.0242(7) Uani d . 1 1 . .
    C C27A 0.6043(2) 0.06467(10) 0.43976(11) 0.0250(7) Uani d . 1 1 . .
    H H27A 0.5397 0.0725 0.4372 0.030 Uiso calc R 1 1 . .
    C C28A 0.5875(2) 0.06508(11) 0.52819(11) 0.0251(7) Uani d . 1 1 . .
    H H28A 0.5938 0.0391 0.5469 0.030 Uiso calc R 1 1 . .
    C C29A 0.5862(5) 0.06332(18) 0.67372(14) 0.0703(17) Uani d . 1 1 . .
    H H29A 0.6481 0.0662 0.6889 0.106 Uiso calc R 1 1 . .
    H H29B 0.5572 0.0370 0.6830 0.106 Uiso calc R 1 1 . .
    H H29C 0.5454 0.0864 0.6829 0.106 Uiso calc R 1 1 . .
    C C30A 0.8390(3) 0.20284(14) 0.63534(13) 0.0378(9) Uani d . 1 1 . .
    H H30A 0.8572 0.2323 0.6396 0.045 Uiso calc R 1 1 . .
    H H30B 0.8644 0.1935 0.6053 0.045 Uiso calc R 1 1 . .
    C C31A 0.8827(3) 0.17742(15) 0.67339(15) 0.0477(11) Uani d . 1 1 . .
    C C32A 1.0308(5) 0.1546(2) 0.7027(3) 0.101(2) Uani d . 1 1 . .
    H H32A 1.0231 0.1666 0.7336 0.152 Uiso calc R 1 1 . .
    H H32B 1.0979 0.1550 0.6945 0.152 Uiso calc R 1 1 . .
    H H32C 1.0078 0.1259 0.7027 0.152 Uiso calc R 1 1 . .
    C C33A 0.6202(2) 0.23448(11) 0.53008(12) 0.0277(7) Uani d . 1 1 . .
    H H33A 0.5799 0.2190 0.5078 0.033 Uiso calc R 1 1 . .
    H H33B 0.5887 0.2334 0.5605 0.033 Uiso calc R 1 1 . .
    C C34A 0.6245(3) 0.27998(11) 0.51453(12) 0.0305(7) Uani d . 1 1 . .
    H H34A 0.6579 0.2966 0.5383 0.037 Uiso calc R 1 1 . .
    H H34B 0.6605 0.2820 0.4855 0.037 Uiso calc R 1 1 . .
    C C35A 0.5263(2) 0.29722(11) 0.50698(12) 0.0288(7) Uani d . 1 1 . .
    C C36A 0.4719(3) 0.31067(13) 0.54413(13) 0.0377(9) Uani d . 1 1 . .
    H H36A 0.4983 0.3102 0.5745 0.045 Uiso calc R 1 1 . .
    C C37A 0.3806(3) 0.32462(14) 0.53750(15) 0.0453(10) Uani d . 1 1 . .
    H H37A 0.3444 0.3333 0.5632 0.054 Uiso calc R 1 1 . .
    C C38A 0.3416(3) 0.32607(14) 0.49362(16) 0.0447(10) Uani d . 1 1 . .
    H H38A 0.2790 0.3360 0.4890 0.054 Uiso calc R 1 1 . .
    C C39A 0.3938(3) 0.31306(15) 0.45668(15) 0.0445(10) Uani d . 1 1 . .
    H H39A 0.3669 0.3138 0.4265 0.053 Uiso calc R 1 1 . .
    C C40A 0.4859(3) 0.29885(14) 0.46317(13) 0.0399(9) Uani d . 1 1 . .
    H H40A 0.5215 0.2901 0.4373 0.048 Uiso calc R 1 1 . .
    C C41A 0.9945(3) 0.16995(15) 0.53127(14) 0.0433(10) Uani d . 1 1 . .
    H H41A 0.9982 0.1437 0.5143 0.065 Uiso calc R 1 1 . .
    H H41B 1.0141 0.1655 0.5634 0.065 Uiso calc R 1 1 . .
    H H41C 1.0362 0.1904 0.5169 0.065 Uiso calc R 1 1 . .
    C C42A 0.9395(3) 0.15703(12) 0.34657(12) 0.0333(8) Uani d . 1 1 . .
    H H42A 0.8836 0.1386 0.3443 0.040 Uiso calc R 1 1 . .
    H H42B 0.9857 0.1442 0.3682 0.040 Uiso calc R 1 1 . .
    C C43A 0.9834(3) 0.16199(13) 0.29944(13) 0.0379(9) Uani d . 1 1 . .
    C C44A 1.0727(4) 0.20459(17) 0.25007(16) 0.0601(13) Uani d . 1 1 . .
    H H44A 1.1317 0.1887 0.2490 0.090 Uiso calc R 1 1 . .
    H H44B 1.0867 0.2342 0.2466 0.090 Uiso calc R 1 1 . .
    H H44C 1.0306 0.1956 0.2249 0.090 Uiso calc R 1 1 . .
    C C45A 0.6238(3) 0.23760(11) 0.35982(11) 0.0290(7) Uani d . 1 1 . .
    H H45A 0.5770 0.2191 0.3745 0.035 Uiso calc R 1 1 . .
    H H45B 0.6315 0.2624 0.3796 0.035 Uiso calc R 1 1 . .
    C C46A 0.5866(3) 0.25087(16) 0.31208(13) 0.0473(11) Uani d . 1 1 . .
    H H46A 0.6371 0.2659 0.2956 0.057 Uiso calc R 1 1 . .
    H H46B 0.5702 0.2258 0.2939 0.057 Uiso calc R 1 1 . .
    C C47A 0.5011(3) 0.27824(15) 0.31537(12) 0.0425(10) Uani d . 1 1 . .
    C C48A 0.4112(3) 0.26474(17) 0.30256(13) 0.0494(11) Uani d . 1 1 . .
    H H48A 0.4024 0.2370 0.2924 0.059 Uiso calc R 1 1 . .
    C C49A 0.3340(3) 0.2913(2) 0.30441(15) 0.0573(14) Uani d . 1 1 . .
    H H49A 0.2733 0.2817 0.2950 0.069 Uiso calc R 1 1 . .
    C C50A 0.3447(4) 0.3311(2) 0.31966(18) 0.0648(15) Uani d . 1 1 . .
    H H50A 0.2914 0.3490 0.3212 0.078 Uiso calc R 1 1 . .
    C C51A 0.4325(4) 0.34521(18) 0.33273(19) 0.0665(14) Uani d . 1 1 . .
    H H51A 0.4404 0.3729 0.3433 0.080 Uiso calc R 1 1 . .
    C C52A 0.5091(3) 0.31913(17) 0.33049(16) 0.0536(12) Uani d . 1 1 . .
    H H52A 0.5695 0.3293 0.3396 0.064 Uiso calc R 1 1 . .
    C C53A 0.8011(4) 0.20537(17) 0.21830(13) 0.0577(13) Uani d . 1 1 . .
    H H53A 0.8451 0.1828 0.2110 0.087 Uiso calc R 1 1 . .
    H H53B 0.8298 0.2320 0.2101 0.087 Uiso calc R 1 1 . .
    H H53C 0.7422 0.2016 0.2007 0.087 Uiso calc R 1 1 . .
    C C54A 0.6866(3) 0.05979(14) 0.21032(13) 0.0407(9) Uani d . 1 1 . .
    H H54A 0.6692 0.0854 0.1933 0.049 Uiso calc R 1 1 . .
    H H54B 0.6519 0.0363 0.1961 0.049 Uiso calc R 1 1 . .
    C C55A 0.7913(3) 0.05247(14) 0.20686(15) 0.0471(11) Uani d . 1 1 . .
    C C56A 0.9316(4) 0.0719(2) 0.1711(2) 0.0755(16) Uani d . 1 1 . .
    H H56A 0.9596 0.0677 0.2019 0.113 Uiso calc R 1 1 . .
    H H56B 0.9560 0.0976 0.1577 0.113 Uiso calc R 1 1 . .
    H H56C 0.9482 0.0484 0.1512 0.113 Uiso calc R 1 1 . .
    C C57A 0.5038(3) 0.06717(13) 0.35165(11) 0.0325(8) Uani d . 1 1 . .
    H H57A 0.4849 0.0932 0.3672 0.039 Uiso calc R 1 1 . .
    H H57B 0.4792 0.0437 0.3701 0.039 Uiso calc R 1 1 . .
    C C58A 0.4580(3) 0.06585(15) 0.30347(12) 0.0419(10) Uani d . 1 1 . .
    H H58A 0.4818 0.0894 0.2850 0.050 Uiso calc R 1 1 . .
    H H58B 0.4767 0.0399 0.2878 0.050 Uiso calc R 1 1 . .
    C C59A 0.3524(3) 0.06807(14) 0.30531(12) 0.0379(9) Uani d . 1 1 . .
    C C60A 0.3049(3) 0.10405(16) 0.29462(14) 0.0479(11) Uani d . 1 1 . .
    H H60A 0.3398 0.1275 0.2844 0.057 Uiso calc R 1 1 . .
    C C61A 0.2061(3) 0.1071(2) 0.29837(17) 0.0613(13) Uani d . 1 1 . .
    H H61A 0.1749 0.1325 0.2915 0.074 Uiso calc R 1 1 . .
    C C62A 0.1555(4) 0.0736(2) 0.31188(16) 0.0644(15) Uani d . 1 1 . .
    H H62A 0.0886 0.0754 0.3141 0.077 Uiso calc R 1 1 . .
    C C63A 0.2002(4) 0.0374(2) 0.32229(17) 0.0691(17) Uani d . 1 1 . .
    H H63A 0.1641 0.0140 0.3313 0.083 Uiso calc R 1 1 . .
    C C64A 0.2986(4) 0.03417(16) 0.31990(15) 0.0517(11) Uani d . 1 1 . .
    H H64A 0.3291 0.0089 0.3282 0.062 Uiso calc R 1 1 . .
    C C65A 0.8986(3) 0.04058(14) 0.36390(15) 0.0449(10) Uani d . 1 1 . .
    H H65A 0.9248 0.0624 0.3839 0.067 Uiso calc R 1 1 . .
    H H65B 0.9233 0.0438 0.3326 0.067 Uiso calc R 1 1 . .
    H H65C 0.9169 0.0133 0.3761 0.067 Uiso calc R 1 1 . .
    C C66A 0.8643(3) 0.06057(17) 0.53789(14) 0.0505(11) Uani d . 1 1 . .
    H H66A 0.8646 0.0887 0.5240 0.061 Uiso calc R 1 1 . .
    H H66B 0.9135 0.0439 0.5224 0.061 Uiso calc R 1 1 . .
    C C67A 0.8881(3) 0.06384(16) 0.58885(15) 0.0502(11) Uani d . 1 1 . .
    C C68A 0.8574(5) 0.04117(18) 0.66394(16) 0.0662(15) Uani d . 1 1 . .
    H H68A 0.9216 0.0305 0.6688 0.099 Uiso calc R 1 1 . .
    H H68B 0.8123 0.0237 0.6806 0.099 Uiso calc R 1 1 . .
    H H68C 0.8538 0.0697 0.6755 0.099 Uiso calc R 1 1 . .
    C C69A 0.4809(2) 0.07354(11) 0.52119(12) 0.0296(7) Uani d . 1 1 . .
    H H69A 0.4542 0.0822 0.5512 0.035 Uiso calc R 1 1 . .
    H H69B 0.4736 0.0972 0.4996 0.035 Uiso calc R 1 1 . .
    C C70A 0.4216(3) 0.03694(12) 0.50242(13) 0.0346(8) Uani d . 1 1 . .
    H H70A 0.4499 0.0268 0.4734 0.041 Uiso calc R 1 1 . .
    H H70B 0.4232 0.0139 0.5251 0.041 Uiso calc R 1 1 . .
    C C71A 0.3203(3) 0.04940(13) 0.49332(13) 0.0367(8) Uani d . 1 1 . .
    C C72A 0.2949(3) 0.06849(15) 0.45133(15) 0.0474(10) Uani d . 1 1 . .
    H H72A 0.3411 0.0719 0.4280 0.057 Uiso calc R 1 1 . .
    C C73A 0.2032(3) 0.08246(17) 0.44343(17) 0.0548(12) Uani d . 1 1 . .
    H H73A 0.1868 0.0950 0.4147 0.066 Uiso calc R 1 1 . .
    C C74A 0.1361(3) 0.07811(18) 0.47733(19) 0.0620(14) Uani d . 1 1 . .
    H H74A 0.0736 0.0880 0.4721 0.074 Uiso calc R 1 1 . .
    C C75A 0.1591(3) 0.0596(2) 0.51867(17) 0.0628(15) Uani d . 1 1 . .
    H H75A 0.1125 0.0563 0.5418 0.075 Uiso calc R 1 1 . .
    C C76A 0.2520(3) 0.04549(18) 0.52660(15) 0.0512(11) Uani d . 1 1 . .
    H H76A 0.2679 0.0331 0.5554 0.061 Uiso calc R 1 1 . .
    O O1B 1.0018(2) 0.79524(9) 0.34133(8) 0.0381(7) Uani d . 1 1 . .
    O O2B 0.8747(2) 0.93555(9) 0.33391(8) 0.0411(7) Uani d . 1 1 . .
    O O3B 1.0602(2) 0.95651(13) 0.32072(11) 0.0654(10) Uani d . 1 1 . .
    O O4B 1.0487(3) 0.93523(15) 0.24792(11) 0.0755(12) Uani d . 1 1 . .
    O O5B 1.01302(19) 0.95766(10) 0.43576(8) 0.0399(7) Uani d . 1 1 . .
    O O6B 1.00419(19) 0.96042(9) 0.60273(8) 0.0378(6) Uani d . 1 1 . .
    O O7B 1.1619(4) 0.90759(19) 0.67830(14) 0.1072(18) Uani d . 1 1 . .
    O O8B 1.0632(3) 0.96019(13) 0.68735(11) 0.0770(12) Uani d . 1 1 . .
    O O9B 0.8300(2) 0.93672(9) 0.70036(9) 0.0490(8) Uani d . 1 1 . .
    O O10B 0.96121(18) 0.79857(8) 0.70902(8) 0.0323(6) Uani d . 1 1 . .
    O O11B 1.0645(3) 0.83863(15) 0.77772(13) 0.0826(13) Uani d . 1 1 . .
    O O12B 1.2000(3) 0.81789(13) 0.74503(16) 0.0787(12) Uani d . 1 1 . .
    O O13B 1.12398(17) 0.81423(9) 0.60462(8) 0.0343(6) Uani d . 1 1 . .
    O O14B 1.13407(18) 0.80255(8) 0.43820(8) 0.0334(6) Uani d . 1 1 . .
    O O15B 1.1980(2) 0.86203(10) 0.34318(10) 0.0525(8) Uani d . 1 1 . .
    O O16B 1.2481(2) 0.80046(10) 0.36801(9) 0.0465(7) Uani d . 1 1 . .
    C C1B 0.9267(2) 0.82519(11) 0.40523(11) 0.0250(7) Uani d . 1 1 . .
    C C2B 0.9557(2) 0.82915(11) 0.35953(11) 0.0278(7) Uani d . 1 1 . .
    C C3B 0.9405(3) 0.86564(12) 0.33482(11) 0.0301(7) Uani d . 1 1 . .
    H H3B 0.9603 0.8679 0.3037 0.036 Uiso calc R 1 1 . .
    C C4B 0.8957(3) 0.89890(11) 0.35642(11) 0.0289(7) Uani d . 1 1 . .
    C C5B 0.8691(2) 0.89670(11) 0.40284(11) 0.0271(7) Uani d . 1 1 . .
    C C6B 0.8852(2) 0.85949(11) 0.42566(11) 0.0252(7) Uani d . 1 1 . .
    H H6B 0.8668 0.8574 0.4571 0.030 Uiso calc R 1 1 . .
    C C7B 0.8277(2) 0.93422(11) 0.42711(11) 0.0259(7) Uani d . 1 1 . .
    H H7B 0.8439 0.9591 0.4081 0.031 Uiso calc R 1 1 . .
    C C8B 0.8740(2) 0.94041(10) 0.47453(11) 0.0259(7) Uani d . 1 1 . .
    C C9B 0.9693(2) 0.95270(12) 0.47707(11) 0.0296(7) Uani d . 1 1 . .
    C C10B 1.0125(3) 0.95889(12) 0.51966(12) 0.0336(8) Uani d . 1 1 . .
    H H10B 1.0770 0.9671 0.5213 0.040 Uiso calc R 1 1 . .
    C C11B 0.9617(3) 0.95311(12) 0.56002(12) 0.0300(8) Uani d . 1 1 . .
    C C12B 0.8673(3) 0.94091(10) 0.55934(11) 0.0263(7) Uani d . 1 1 . .
    C C13B 0.8265(2) 0.93461(10) 0.51559(11) 0.0258(7) Uani d . 1 1 . .
    H H13B 0.7624 0.9258 0.5140 0.031 Uiso calc R 1 1 . .
    C C14B 0.8148(2) 0.93470(10) 0.60427(11) 0.0254(7) Uani d . 1 1 . .
    H H14B 0.8225 0.9606 0.6230 0.031 Uiso calc R 1 1 . .
    C C15B 0.8580(2) 0.89903(11) 0.63205(11) 0.0253(7) Uani d . 1 1 . .
    C C16B 0.8635(3) 0.90096(11) 0.68041(11) 0.0314(8) Uani d . 1 1 . .
    C C17B 0.9006(3) 0.86782(12) 0.70526(11) 0.0328(8) Uani d . 1 1 . .
    H H17B 0.9064 0.8695 0.7379 0.039 Uiso calc R 1 1 . .
    C C18B 0.9294(2) 0.83197(11) 0.68235(11) 0.0267(7) Uani d . 1 1 . .
    C C19B 0.9210(2) 0.82820(11) 0.63443(10) 0.0242(7) Uani d . 1 1 . .
    C C20B 0.8859(2) 0.86279(11) 0.61066(10) 0.0241(7) Uani d . 1 1 . .
    H H20B 0.8809 0.8613 0.5779 0.029 Uiso calc R 1 1 . .
    C C21B 0.9388(2) 0.78750(10) 0.60906(10) 0.0235(7) Uani d . 1 1 . .
    H H21B 0.9819 0.7703 0.6289 0.028 Uiso calc R 1 1 . .
    C C22B 0.9877(2) 0.79437(10) 0.56311(10) 0.0232(6) Uani d . 1 1 . .
    C C23B 1.0827(2) 0.80747(11) 0.56224(11) 0.0280(7) Uani d . 1 1 . .
    C C24B 1.1303(2) 0.81150(11) 0.52095(12) 0.0289(7) Uani d . 1 1 . .
    H H24B 1.1948 0.8197 0.5210 0.035 Uiso calc R 1 1 . .
    C C25B 1.0840(2) 0.80361(11) 0.47957(11) 0.0283(7) Uani d . 1 1 . .
    C C26B 0.9889(2) 0.79228(10) 0.47836(10) 0.0233(6) Uani d . 1 1 . .
    C C27B 0.9430(2) 0.78827(10) 0.52042(11) 0.0238(7) Uani d . 1 1 . .
    H H27B 0.8778 0.7810 0.5201 0.029 Uiso calc R 1 1 . .
    C C28B 0.9405(2) 0.78463(10) 0.43182(10) 0.0255(7) Uani d . 1 1 . .
    H H28B 0.9847 0.7672 0.4133 0.031 Uiso calc R 1 1 . .
    C C29B 1.0240(4) 0.79570(16) 0.29342(13) 0.0542(13) Uani d . 1 1 . .
    H H29D 0.9665 0.8013 0.2753 0.081 Uiso calc R 1 1 . .
    H H29E 1.0500 0.7687 0.2845 0.081 Uiso calc R 1 1 . .
    H H29F 1.0708 0.8174 0.2875 0.081 Uiso calc R 1 1 . .
    C C30B 0.9087(3) 0.94058(14) 0.28801(13) 0.0406(9) Uani d . 1 1 . .
    H H30C 0.8792 0.9654 0.2738 0.049 Uiso calc R 1 1 . .
    H H30D 0.8908 0.9161 0.2692 0.049 Uiso calc R 1 1 . .
    C C31B 1.0131(3) 0.94533(13) 0.28824(14) 0.0432(10) Uani d . 1 1 . .
    C C32B 1.1493(4) 0.9368(3) 0.2451(2) 0.091(2) Uani d . 1 1 . .
    H H32D 1.1708 0.9654 0.2500 0.136 Uiso calc R 1 1 . .
    H H32E 1.1690 0.9273 0.2145 0.136 Uiso calc R 1 1 . .
    H H32F 1.1772 0.9188 0.2689 0.136 Uiso calc R 1 1 . .
    C C33B 0.7192(2) 0.93216(11) 0.42923(12) 0.0302(7) Uani d . 1 1 . .
    H H33C 0.6958 0.9560 0.4475 0.036 Uiso calc R 1 1 . .
    H H33D 0.7005 0.9064 0.4454 0.036 Uiso calc R 1 1 . .
    C C34B 0.6721(3) 0.93296(13) 0.38107(13) 0.0377(9) Uani d . 1 1 . .
    H H34C 0.6881 0.9593 0.3654 0.045 Uiso calc R 1 1 . .
    H H34D 0.6972 0.9098 0.3623 0.045 Uiso calc R 1 1 . .
    C C35B 0.5655(3) 0.92903(12) 0.38402(12) 0.0339(8) Uani d . 1 1 . .
    C C36B 0.5113(3) 0.95992(14) 0.40262(17) 0.0487(11) Uani d . 1 1 . .
    H H36B 0.5413 0.9844 0.4138 0.058 Uiso calc R 1 1 . .
    C C37B 0.4139(3) 0.95647(15) 0.40565(17) 0.0505(11) Uani d . 1 1 . .
    H H37B 0.3781 0.9783 0.4188 0.061 Uiso calc R 1 1 . .
    C C38B 0.3689(3) 0.92137(15) 0.38954(15) 0.0456(10) Uani d . 1 1 . .
    H H38B 0.3020 0.9189 0.3910 0.055 Uiso calc R 1 1 . .
    C C39B 0.4224(3) 0.88992(15) 0.37124(16) 0.0532(11) Uani d . 1 1 . .
    H H39B 0.3924 0.8654 0.3604 0.064 Uiso calc R 1 1 . .
    C C40B 0.5193(3) 0.89365(14) 0.36853(15) 0.0457(10) Uani d . 1 1 . .
    H H40B 0.5551 0.8716 0.3558 0.055 Uiso calc R 1 1 . .
    C C41B 1.1125(3) 0.96382(17) 0.43597(14) 0.0498(11) Uani d . 1 1 . .
    H H41D 1.1274 0.9905 0.4506 0.075 Uiso calc R 1 1 . .
    H H41E 1.1354 0.9638 0.4041 0.075 Uiso calc R 1 1 . .
    H H41F 1.1432 0.9414 0.4533 0.075 Uiso calc R 1 1 . .
    C C42B 1.0814(3) 0.93282(17) 0.61229(15) 0.0508(11) Uani d . 1 1 . .
    H H42C 1.1374 0.9417 0.5945 0.061 Uiso calc R 1 1 . .
    H H42D 1.0642 0.9044 0.6022 0.061 Uiso calc R 1 1 . .
    C C43B 1.1059(4) 0.93229(19) 0.66253(17) 0.0587(13) Uani d . 1 1 . .
    C C44B 1.0826(7) 0.9580(3) 0.73696(19) 0.122(3) Uani d . 1 1 . .
    H H44D 1.0856 0.9289 0.7466 0.182 Uiso calc R 1 1 . .
    H H44E 1.0320 0.9721 0.7537 0.182 Uiso calc R 1 1 . .
    H H44F 1.1432 0.9716 0.7438 0.182 Uiso calc R 1 1 . .
    C C45B 0.7084(2) 0.92626(11) 0.59904(12) 0.0301(7) Uani d . 1 1 . .
    H H45C 0.6837 0.9177 0.6295 0.036 Uiso calc R 1 1 . .
    H H45D 0.6996 0.9026 0.5776 0.036 Uiso calc R 1 1 . .
    C C46B 0.6486(3) 0.96285(12) 0.58115(13) 0.0342(8) Uani d . 1 1 . .
    H H46C 0.6496 0.9854 0.6044 0.041 Uiso calc R 1 1 . .
    H H46D 0.6767 0.9737 0.5524 0.041 Uiso calc R 1 1 . .
    C C47B 0.5467(3) 0.95015(13) 0.57156(13) 0.0357(8) Uani d . 1 1 . .
    C C48B 0.4740(3) 0.96187(17) 0.60043(15) 0.0520(11) Uani d . 1 1 . .
    H H48B 0.4877 0.9784 0.6269 0.062 Uiso calc R 1 1 . .
    C C49B 0.3815(3) 0.9498(2) 0.59131(18) 0.0629(14) Uani d . 1 1 . .
    H H49B 0.3328 0.9580 0.6118 0.076 Uiso calc R 1 1 . .
    C C50B 0.3594(4) 0.92652(18) 0.55356(19) 0.0589(13) Uani d . 1 1 . .
    H H50B 0.2957 0.9187 0.5475 0.071 Uiso calc R 1 1 . .
    C C51B 0.4312(4) 0.91425(17) 0.52382(18) 0.0581(13) Uani d . 1 1 . .
    H H51B 0.4172 0.8976 0.4975 0.070 Uiso calc R 1 1 . .
    C C52B 0.5236(3) 0.92668(14) 0.53327(15) 0.0475(10) Uani d . 1 1 . .
    H H52B 0.5722 0.9188 0.5127 0.057 Uiso calc R 1 1 . .
    C C53B 0.8138(6) 0.9361(2) 0.74848(17) 0.107(3) Uani d . 1 1 . .
    H H53D 0.7837 0.9098 0.7570 0.161 Uiso calc R 1 1 . .
    H H53E 0.7722 0.9592 0.7567 0.161 Uiso calc R 1 1 . .
    H H53F 0.8742 0.9389 0.7651 0.161 Uiso calc R 1 1 . .
    C C54B 1.0612(3) 0.79463(14) 0.71023(13) 0.0409(9) Uani d . 1 1 . .
    H H54C 1.0872 0.8039 0.6803 0.049 Uiso calc R 1 1 . .
    H H54D 1.0783 0.7651 0.7145 0.049 Uiso calc R 1 1 . .
    C C55B 1.1053(4) 0.82009(16) 0.74905(17) 0.0551(12) Uani d . 1 1 . .
    C C56B 1.2510(6) 0.8419(3) 0.7793(4) 0.137(4) Uani d . 1 1 . .
    H H56D 1.2421 0.8715 0.7731 0.206 Uiso calc R 1 1 . .
    H H56E 1.3184 0.8350 0.7780 0.206 Uiso calc R 1 1 . .
    H H56F 1.2269 0.8353 0.8101 0.206 Uiso calc R 1 1 . .
    C C57B 0.8434(2) 0.76435(11) 0.60507(11) 0.0258(7) Uani d . 1 1 . .
    H H57C 0.8126 0.7651 0.6356 0.031 Uiso calc R 1 1 . .
    H H57D 0.8022 0.7798 0.5832 0.031 Uiso calc R 1 1 . .
    C C58B 0.8481(2) 0.71897(11) 0.58905(12) 0.0286(7) Uani d . 1 1 . .
    H H58C 0.8839 0.7174 0.5599 0.034 Uiso calc R 1 1 . .
    H H58D 0.8823 0.7023 0.6126 0.034 Uiso calc R 1 1 . .
    C C59B 0.7506(3) 0.70113(11) 0.58152(12) 0.0289(8) Uani d . 1 1 . .
    C C60B 0.6953(3) 0.68891(13) 0.61846(13) 0.0383(9) Uani d . 1 1 . .
    H H60B 0.7206 0.6904 0.6490 0.046 Uiso calc R 1 1 . .
    C C61B 0.6039(3) 0.67455(14) 0.61158(15) 0.0445(10) Uani d . 1 1 . .
    H H61B 0.5671 0.6663 0.6373 0.053 Uiso calc R 1 1 . .
    C C62B 0.5663(3) 0.67216(14) 0.56751(16) 0.0456(10) Uani d . 1 1 . .
    H H62B 0.5035 0.6624 0.5629 0.055 Uiso calc R 1 1 . .
    C C63B 0.6191(3) 0.68378(15) 0.53057(15) 0.0460(10) Uani d . 1 1 . .
    H H63B 0.5938 0.6817 0.5001 0.055 Uiso calc R 1 1 . .
    C C64B 0.7104(3) 0.69868(14) 0.53772(13) 0.0387(9) Uani d . 1 1 . .
    H H64B 0.7462 0.7074 0.5119 0.046 Uiso calc R 1 1 . .
    C C65B 1.2191(3) 0.82781(16) 0.60531(14) 0.0455(10) Uani d . 1 1 . .
    H H65D 1.2583 0.8081 0.5883 0.068 Uiso calc R 1 1 . .
    H H65E 1.2418 0.8296 0.6374 0.068 Uiso calc R 1 1 . .
    H H65F 1.2233 0.8552 0.5908 0.068 Uiso calc R 1 1 . .
    C C66B 1.1609(3) 0.84164(12) 0.42021(13) 0.0347(8) Uani d . 1 1 . .
    H H66C 1.2079 0.8548 0.4411 0.042 Uiso calc R 1 1 . .
    H H66D 1.1048 0.8600 0.4181 0.042 Uiso calc R 1 1 . .
    C C67B 1.2034(3) 0.83606(13) 0.37231(14) 0.0376(9) Uani d . 1 1 . .
    C C68B 1.2921(4) 0.79220(17) 0.32324(16) 0.0632(14) Uani d . 1 1 . .
    H H68D 1.2434 0.7837 0.3008 0.095 Uiso calc R 1 1 . .
    H H68E 1.3390 0.7700 0.3267 0.095 Uiso calc R 1 1 . .
    H H68F 1.3235 0.8174 0.3122 0.095 Uiso calc R 1 1 . .
    C C69B 0.8477(3) 0.76057(11) 0.43491(11) 0.0290(7) Uani d . 1 1 . .
    H H69C 0.7991 0.7784 0.4492 0.035 Uiso calc R 1 1 . .
    H H69D 0.8571 0.7360 0.4550 0.035 Uiso calc R 1 1 . .
    C C70B 0.8125(3) 0.74636(15) 0.38724(13) 0.0461(11) Uani d . 1 1 . .
    H H70C 0.7954 0.7711 0.3686 0.055 Uiso calc R 1 1 . .
    H H70D 0.8644 0.7318 0.3713 0.055 Uiso calc R 1 1 . .
    C C71B 0.7280(3) 0.71796(15) 0.38978(12) 0.0443(10) Uani d . 1 1 . .
    C C72B 0.7407(4) 0.67666(16) 0.40247(16) 0.0561(13) Uani d . 1 1 . .
    H H72B 0.8022 0.6669 0.4102 0.067 Uiso calc R 1 1 . .
    C C73B 0.6645(4) 0.6497(2) 0.40400(19) 0.0738(17) Uani d . 1 1 . .
    H H73B 0.6739 0.6216 0.4129 0.089 Uiso calc R 1 1 . .
    C C74B 0.5767(4) 0.6633(2) 0.39283(18) 0.0747(18) Uani d . 1 1 . .
    H H74B 0.5249 0.6446 0.3937 0.090 Uiso calc R 1 1 . .
    C C75B 0.5619(4) 0.7033(2) 0.38035(16) 0.0666(16) Uani d . 1 1 . .
    H H75B 0.5000 0.7125 0.3723 0.080 Uiso calc R 1 1 . .
    C C76B 0.6388(4) 0.73129(18) 0.37936(15) 0.0568(13) Uani d . 1 1 . .
    H H76B 0.6283 0.7595 0.3714 0.068 Uiso calc R 1 1 . .
    O O1C 0.6334(2) 0.42533(8) 0.78498(8) 0.0386(6) Uani d . 1 1 . .
    O O2C 0.54013(19) 0.28157(8) 0.78784(8) 0.0340(6) Uani d . 1 1 . .
    O O3C 0.4306(3) 0.31475(14) 0.71475(13) 0.0790(13) Uani d . 1 1 . .
    O O4C 0.3017(3) 0.30626(12) 0.75901(13) 0.0643(10) Uani d . 1 1 . .
    O O5C 0.37492(17) 0.30624(9) 0.88976(8) 0.0348(6) Uani d . 1 1 . .
    O O6C 0.36534(17) 0.30811(8) 1.05676(8) 0.0305(5) Uani d . 1 1 . .
    O O7C 0.2863(3) 0.38220(12) 1.13619(12) 0.0658(10) Uani d . 1 1 . .
    O O8C 0.2486(3) 0.31538(11) 1.12528(11) 0.0648(10) Uani d . 1 1 . .
    O O9C 0.5012(2) 0.29777(9) 1.15672(8) 0.0399(7) Uani d . 1 1 . .
    C C54C 0.4775(4) 0.45404(17) 1.18003(18) 0.0640(14) Uani d . 1 1 . .
    H H54E 0.4546 0.4828 1.1750 0.077 Uiso calc R 1 1 . .
    H H54F 0.4239 0.4353 1.1727 0.077 Uiso calc R 1 1 . .
    O O11C 0.4449(5) 0.4576(3) 1.2572(2) 0.167(3) Uani d . 1 1 . .
    O O12C 0.5856(4) 0.43490(14) 1.23654(14) 0.0871(13) Uani d . 1 1 . .
    O O13C 0.43808(19) 0.45772(9) 1.04240(9) 0.0391(6) Uani d . 1 1 . .
    O O14C 0.46610(18) 0.45251(9) 0.87540(9) 0.0355(6) Uani d . 1 1 . .
    O O15C 0.2899(3) 0.40794(18) 0.80443(14) 0.1036(18) Uani d . 1 1 . .
    O O16C 0.3992(2) 0.45611(11) 0.79010(10) 0.0521(8) Uani d . 1 1 . .
    C C1C 0.6202(2) 0.39033(11) 0.85618(11) 0.0265(7) Uani d . 1 1 . .
    C C2C 0.6113(3) 0.38904(11) 0.80786(11) 0.0287(7) Uani d . 1 1 . .
    C C3C 0.5836(3) 0.35322(12) 0.78595(12) 0.0316(8) Uani d . 1 1 . .
    H H3C 0.5769 0.3527 0.7533 0.038 Uiso calc R 1 1 . .
    C C4C 0.5652(2) 0.31767(11) 0.81153(11) 0.0278(7) Uani d . 1 1 . .
    C C5C 0.5737(2) 0.31754(10) 0.85965(11) 0.0241(7) Uani d . 1 1 . .
    C C6C 0.6012(2) 0.35415(11) 0.88070(11) 0.0256(7) Uani d . 1 1 . .
    H H6C 0.6073 0.3547 0.9134 0.031 Uiso calc R 1 1 . .
    C C7C 0.5593(2) 0.27790(11) 0.88806(10) 0.0248(7) Uani d . 1 1 . .
    H H7C 0.5171 0.2591 0.8697 0.030 Uiso calc R 1 1 . .
    C C8C 0.5098(2) 0.28729(10) 0.93314(11) 0.0249(7) Uani d . 1 1 . .
    C C9C 0.4158(2) 0.30155(11) 0.93275(11) 0.0266(7) Uani d . 1 1 . .
    C C10C 0.3688(2) 0.30952(11) 0.97340(12) 0.0282(7) Uani d . 1 1 . .
    H H10C 0.3052 0.3191 0.9724 0.034 Uiso calc R 1 1 . .
    C C11C 0.4141(2) 0.30364(11) 1.01567(11) 0.0263(7) Uani d . 1 1 . .
    C C12C 0.5077(2) 0.29059(10) 1.01802(11) 0.0236(6) Uani d . 1 1 . .
    C C13C 0.5531(2) 0.28308(10) 0.97614(11) 0.0237(6) Uani d . 1 1 . .
    H H13C 0.6174 0.2746 0.9772 0.028 Uiso calc R 1 1 . .
    C C14C 0.5554(2) 0.28570(10) 1.06485(11) 0.0254(7) Uani d . 1 1 . .
    H H14C 0.5138 0.2675 1.0839 0.031 Uiso calc R 1 1 . .
    C C15C 0.5604(2) 0.32745(11) 1.08878(11) 0.0269(7) Uani d . 1 1 . .
    C C16C 0.5293(3) 0.33302(11) 1.13396(11) 0.0293(7) Uani d . 1 1 . .
    C C17C 0.5266(3) 0.37189(12) 1.15397(12) 0.0351(8) Uani d . 1 1 . .
    H H17C 0.5057 0.3751 1.1849 0.042 Uiso calc R 1 1 . .
    C C18C 0.5547(3) 0.40638(12) 1.12853(12) 0.0332(8) Uani d . 1 1 . .
    C C19C 0.5906(3) 0.40237(11) 1.08402(11) 0.0286(7) Uani d . 1 1 . .
    C C20C 0.5910(2) 0.36275(11) 1.06521(11) 0.0266(7) Uani d . 1 1 . .
    H H20C 0.6134 0.3594 1.0346 0.032 Uiso calc R 1 1 . .
    C C21C 0.6269(3) 0.43926(11) 1.05680(11) 0.0290(7) Uani d . 1 1 . .
    H H21C 0.6070 0.4649 1.0736 0.035 Uiso calc R 1 1 . .
    C C22C 0.5836(2) 0.44144(10) 1.00860(11) 0.0276(7) Uani d . 1 1 . .
    C C23C 0.4878(3) 0.45137(11) 1.00251(12) 0.0301(7) Uani d . 1 1 . .
    C C24C 0.4474(3) 0.45469(12) 0.95842(12) 0.0321(8) Uani d . 1 1 . .
    H H24C 0.3824 0.4616 0.9548 0.039 Uiso calc R 1 1 . .
    C C25C 0.5032(3) 0.44785(11) 0.92012(11) 0.0296(7) Uani d . 1 1 . .
    C C26C 0.5989(2) 0.43753(10) 0.92381(11) 0.0252(7) Uani d . 1 1 . .
    C C27C 0.6360(3) 0.43464(10) 0.96877(11) 0.0272(7) Uani d . 1 1 . .
    H H27C 0.7009 0.4276 0.9723 0.033 Uiso calc R 1 1 . .
    C C28C 0.6560(2) 0.42890(11) 0.88075(11) 0.0273(7) Uani d . 1 1 . .
    H H28C 0.6475 0.4530 0.8593 0.033 Uiso calc R 1 1 . .
    C C29C 0.6183(4) 0.42511(17) 0.73575(14) 0.0584(13) Uani d . 1 1 . .
    H H29G 0.6635 0.4061 0.7213 0.088 Uiso calc R 1 1 . .
    H H29H 0.6274 0.4532 0.7236 0.088 Uiso calc R 1 1 . .
    H H29I 0.5536 0.4158 0.7288 0.088 Uiso calc R 1 1 . .
    C C30C 0.4399(3) 0.27555(13) 0.78595(13) 0.0378(9) Uani d . 1 1 . .
    H H30E 0.4123 0.2831 0.8161 0.045 Uiso calc R 1 1 . .
    H H30F 0.4261 0.2459 0.7802 0.045 Uiso calc R 1 1 . .
    C C31C 0.3940(4) 0.30163(14) 0.74807(16) 0.0489(11) Uani d . 1 1 . .
    C C32C 0.2466(5) 0.3300(2) 0.7255(3) 0.103(3) Uani d . 1 1 . .
    H H32G 0.2721 0.3582 0.7234 0.154 Uiso calc R 1 1 . .
    H H32H 0.1805 0.3312 0.7353 0.154 Uiso calc R 1 1 . .
    H H32I 0.2500 0.3165 0.6952 0.154 Uiso calc R 1 1 . .
    C C33C 0.6552(2) 0.25617(11) 0.89332(12) 0.0286(7) Uani d . 1 1 . .
    H H33E 0.6954 0.2728 0.9146 0.034 Uiso calc R 1 1 . .
    H H33F 0.6864 0.2559 0.8628 0.034 Uiso calc R 1 1 . .
    C C34C 0.6513(3) 0.21142(11) 0.91156(12) 0.0312(8) Uani d . 1 1 . .
    H H34E 0.6181 0.2111 0.9415 0.037 Uiso calc R 1 1 . .
    H H34F 0.6145 0.1941 0.8896 0.037 Uiso calc R 1 1 . .
    C C35C 0.7494(3) 0.19285(12) 0.91794(13) 0.0314(8) Uani d . 1 1 . .
    C C36C 0.7943(4) 0.17242(16) 0.88213(15) 0.0532(12) Uani d . 1 1 . .
    H H36C 0.7625 0.1689 0.8533 0.064 Uiso calc R 1 1 . .
    C C37C 0.8855(4) 0.15704(17) 0.88807(17) 0.0632(14) Uani d . 1 1 . .
    H H37C 0.9155 0.1433 0.8632 0.076 Uiso calc R 1 1 . .
    C C38C 0.9323(3) 0.16145(15) 0.92905(18) 0.0532(12) Uani d . 1 1 . .
    H H38C 0.9946 0.1509 0.9328 0.064 Uiso calc R 1 1 . .
    C C39C 0.8886(3) 0.18131(15) 0.96496(17) 0.0512(11) Uani d . 1 1 . .
    H H39C 0.9203 0.1842 0.9939 0.061 Uiso calc R 1 1 . .
    C C40C 0.7975(3) 0.19727(14) 0.95899(14) 0.0434(10) Uani d . 1 1 . .
    H H40C 0.7684 0.2115 0.9838 0.052 Uiso calc R 1 1 . .
    C C41C 0.2804(3) 0.32222(15) 0.88786(15) 0.0456(10) Uani d . 1 1 . .
    H H41G 0.2375 0.3027 0.9030 0.068 Uiso calc R 1 1 . .
    H H41H 0.2608 0.3258 0.8555 0.068 Uiso calc R 1 1 . .
    H H41I 0.2781 0.3491 0.9037 0.068 Uiso calc R 1 1 . .
    C C42C 0.3361(3) 0.34942(12) 1.06685(13) 0.0355(8) Uani d . 1 1 . .
    H H42E 0.2914 0.3591 1.0426 0.043 Uiso calc R 1 1 . .
    H H42F 0.3918 0.3681 1.0669 0.043 Uiso calc R 1 1 . .
    C C43C 0.2889(3) 0.35114(14) 1.11333(14) 0.0444(10) Uani d . 1 1 . .
    C C44C 0.1966(5) 0.3146(2) 1.1685(2) 0.089(2) Uani d . 1 1 . .
    H H44G 0.2370 0.3252 1.1935 0.134 Uiso calc R 1 1 . .
    H H44H 0.1775 0.2861 1.1754 0.134 Uiso calc R 1 1 . .
    H H44I 0.1401 0.3321 1.1655 0.134 Uiso calc R 1 1 . .
    C C45C 0.6529(3) 0.26473(12) 1.06296(12) 0.0321(8) Uani d . 1 1 . .
    H H45E 0.6479 0.2392 1.0440 0.039 Uiso calc R 1 1 . .
    H H45F 0.6980 0.2837 1.0477 0.039 Uiso calc R 1 1 . .
    C C46C 0.6913(3) 0.25344(15) 1.11070(13) 0.0456(10) Uani d . 1 1 . .
    H H46E 0.7061 0.2792 1.1279 0.055 Uiso calc R 1 1 . .
    H H46F 0.6419 0.2383 1.1279 0.055 Uiso calc R 1 1 . .
    C C47C 0.7798(3) 0.22670(15) 1.10839(12) 0.0452(11) Uani d . 1 1 . .
    C C48C 0.7739(4) 0.18567(16) 1.09488(16) 0.0540(12) Uani d . 1 1 . .
    H H48C 0.7140 0.1742 1.0869 0.065 Uiso calc R 1 1 . .
    C C49C 0.8535(4) 0.16114(19) 1.09284(19) 0.0649(14) Uani d . 1 1 . .
    H H49C 0.8488 0.1333 1.0824 0.078 Uiso calc R 1 1 . .
    C C50C 0.9399(4) 0.1771(2) 1.10603(18) 0.0634(14) Uani d . 1 1 . .
    H H50C 0.9945 0.1600 1.1058 0.076 Uiso calc R 1 1 . .
    C C51C 0.9474(3) 0.21738(18) 1.11938(14) 0.0526(12) Uani d . 1 1 . .
    H H51C 1.0071 0.2285 1.1282 0.063 Uiso calc R 1 1 . .
    C C52C 0.8672(3) 0.24233(17) 1.12010(14) 0.0515(11) Uani d . 1 1 . .
    H H52C 0.8730 0.2706 1.1288 0.062 Uiso calc R 1 1 . .
    C C53C 0.4736(5) 0.30092(18) 1.20303(13) 0.0723(19) Uani d . 1 1 . .
    H H53G 0.5256 0.3127 1.2214 0.108 Uiso calc R 1 1 . .
    H H53H 0.4578 0.2733 1.2148 0.108 Uiso calc R 1 1 . .
    H H53I 0.4180 0.3190 1.2051 0.108 Uiso calc R 1 1 . .
    O O10C 0.5506(2) 0.44617(9) 1.14663(9) 0.0484(7) Uani d . 1 1 . .
    C C55C 0.4986(5) 0.4497(2) 1.2281(2) 0.0775(18) Uani d . 1 1 . .
    C C56C 0.6140(7) 0.4280(3) 1.2873(2) 0.127(3) Uani d . 1 1 . .
    H H56G 0.6258 0.4549 1.3021 0.190 Uiso calc R 1 1 . .
    H H56H 0.6715 0.4111 1.2889 0.190 Uiso calc R 1 1 . .
    H H56I 0.5627 0.4137 1.3034 0.190 Uiso calc R 1 1 . .
    C C57C 0.7351(3) 0.43904(12) 1.05619(12) 0.0320(8) Uani d . 1 1 . .
    H H57E 0.7568 0.4133 1.0410 0.038 Uiso calc R 1 1 . .
    H H57F 0.7572 0.4628 1.0375 0.038 Uiso calc R 1 1 . .
    C C58C 0.7801(3) 0.44175(13) 1.10428(13) 0.0412(9) Uani d . 1 1 . .
    H H58E 0.7643 0.4690 1.1180 0.049 Uiso calc R 1 1 . .
    H H58F 0.7521 0.4200 1.1241 0.049 Uiso calc R 1 1 . .
    C C59C 0.8861(3) 0.43667(13) 1.10470(15) 0.0457(11) Uani d . 1 1 . .
    C C60C 0.9422(3) 0.45302(15) 1.07105(19) 0.0584(13) Uani d . 1 1 . .
    H H60C 0.9136 0.4687 1.0468 0.070 Uiso calc R 1 1 . .
    C C61C 1.0395(4) 0.44750(17) 1.0711(2) 0.0699(16) Uani d . 1 1 . .
    H H61C 1.0767 0.4594 1.0473 0.084 Uiso calc R 1 1 . .
    C C62C 1.0818(4) 0.42485(19) 1.1057(3) 0.081(2) Uani d . 1 1 . .
    H H62C 1.1482 0.4202 1.1057 0.097 Uiso calc R 1 1 . .
    C C63C 1.0268(5) 0.4090(2) 1.1403(2) 0.081(2) Uani d . 1 1 . .
    H H63C 1.0559 0.3944 1.1651 0.097 Uiso calc R 1 1 . .
    C C64C 0.9305(4) 0.41407(17) 1.13970(17) 0.0653(15) Uani d . 1 1 . .
    H H64C 0.8936 0.4020 1.1634 0.078 Uiso calc R 1 1 . .
    C C65C 0.3383(3) 0.46367(17) 1.03865(16) 0.0518(11) Uani d . 1 1 . .
    H H65G 0.3252 0.4907 1.0245 0.078 Uiso calc R 1 1 . .
    H H65H 0.3103 0.4627 1.0695 0.078 Uiso calc R 1 1 . .
    H H65I 0.3107 0.4417 1.0194 0.078 Uiso calc R 1 1 . .
    C C66C 0.3882(4) 0.4269(2) 0.86587(16) 0.080(2) Uani d . 1 1 . .
    H H66E 0.3356 0.4348 0.8864 0.096 Uiso calc R 1 1 . .
    H H66F 0.4056 0.3978 0.8731 0.096 Uiso calc R 1 1 . .
    C C67C 0.3544(4) 0.42902(19) 0.81719(16) 0.0621(14) Uani d . 1 1 . .
    C C68C 0.3666(4) 0.4575(2) 0.74228(15) 0.0662(15) Uani d . 1 1 . .
    H H68G 0.3594 0.4291 0.7305 0.099 Uiso calc R 1 1 . .
    H H68H 0.4129 0.4724 0.7236 0.099 Uiso calc R 1 1 . .
    H H68I 0.3055 0.4718 0.7406 0.099 Uiso calc R 1 1 . .
    C C69C 0.7634(2) 0.42304(11) 0.88933(12) 0.0311(8) Uani d . 1 1 . .
    H H69E 0.7720 0.4018 0.9137 0.037 Uiso calc R 1 1 . .
    H H69F 0.7915 0.4118 0.8607 0.037 Uiso calc R 1 1 . .
    C C70C 0.8198(3) 0.46189(12) 0.90363(14) 0.0356(8) Uani d . 1 1 . .
    H H70E 0.8090 0.4844 0.8809 0.043 Uiso calc R 1 1 . .
    H H70F 0.7987 0.4717 0.9342 0.043 Uiso calc R 1 1 . .
    C C71C 0.9229(3) 0.45106(13) 0.90571(16) 0.0449(10) Uani d . 1 1 . .
    C C72C 0.9594(3) 0.42801(17) 0.9421(2) 0.0673(15) Uani d . 1 1 . .
    H H72C 0.9192 0.4208 0.9669 0.081 Uiso calc R 1 1 . .
    C C73C 1.0525(5) 0.4152(2) 0.9431(3) 0.110(3) Uani d . 1 1 . .
    H H73C 1.0771 0.4000 0.9687 0.132 Uiso calc R 1 1 . .
    C C74C 1.1092(4) 0.4251(2) 0.9060(5) 0.132(4) Uani d . 1 1 . .
    H H74C 1.1727 0.4156 0.9056 0.159 Uiso calc R 1 1 . .
    C C75C 1.0752(5) 0.4489(3) 0.8691(3) 0.109(3) Uani d . 1 1 . .
    H H75C 1.1156 0.4562 0.8444 0.131 Uiso calc R 1 1 . .
    C C76C 0.9810(4) 0.46159(19) 0.8690(2) 0.0682(15) Uani d . 1 1 . .
    H H76C 0.9565 0.4774 0.8440 0.082 Uiso calc R 1 1 . .
    O O1D 0.8576(2) 0.57303(8) 0.85863(8) 0.0347(6) Uani d . 1 1 . .
    O O2D 0.76530(17) 0.71659(8) 0.86430(8) 0.0314(5) Uani d . 1 1 . .
    O O3D 0.6548(3) 0.68559(14) 0.78997(11) 0.0698(11) Uani d . 1 1 . .
    O O4D 0.5299(2) 0.68868(11) 0.83635(12) 0.0603(9) Uani d . 1 1 . .
    O O5D 0.60316(16) 0.69184(8) 0.96648(8) 0.0309(5) Uani d . 1 1 . .
    O O6D 0.59365(17) 0.69021(7) 1.13331(8) 0.0283(5) Uani d . 1 1 . .
    O O7D 0.4997(2) 0.61489(10) 1.20839(11) 0.0564(8) Uani d . 1 1 . .
    O O8D 0.4720(2) 0.68293(9) 1.20022(10) 0.0488(7) Uani d . 1 1 . .
    O O9D 0.7279(2) 0.69822(10) 1.23279(9) 0.0460(8) Uani d . 1 1 . .
    O O10D 0.7668(2) 0.54882(10) 1.21833(9) 0.0466(7) Uani d . 1 1 . .
    O O11D 0.6741(4) 0.5312(2) 1.33062(14) 0.130(2) Uani d . 1 1 . .
    O O12D 0.8111(3) 0.55522(15) 1.30678(11) 0.0768(12) Uani d . 1 1 . .
    O O13D 0.65440(18) 0.54636(9) 1.11335(8) 0.0343(6) Uani d . 1 1 . .
    O O14D 0.69516(16) 0.54863(8) 0.94702(7) 0.0293(5) Uani d . 1 1 . .
    O O15D 0.4968(3) 0.56939(16) 0.87660(11) 0.0835(14) Uani d . 1 1 . .
    O O16D 0.62933(19) 0.53456(9) 0.86243(8) 0.0390(6) Uani d . 1 1 . .
    C C1D 0.8491(2) 0.60721(11) 0.93081(10) 0.0242(7) Uani d . 1 1 . .
    C C2D 0.8376(2) 0.60882(11) 0.88217(11) 0.0256(7) Uani d . 1 1 . .
    C C3D 0.8090(2) 0.64512(11) 0.86101(11) 0.0282(7) Uani d . 1 1 . .
    H H3D 0.8011 0.6461 0.8284 0.034 Uiso calc R 1 1 . .
    C C4D 0.7917(2) 0.68037(11) 0.88744(11) 0.0258(7) Uani d . 1 1 . .
    C C5D 0.8012(2) 0.68024(11) 0.93557(11) 0.0244(7) Uani d . 1 1 . .
    C C6D 0.8304(2) 0.64293(10) 0.95560(10) 0.0238(7) Uani d . 1 1 . .
    H H6D 0.8379 0.6420 0.9882 0.029 Uiso calc R 1 1 . .
    C C7D 0.7879(2) 0.71927(10) 0.96432(10) 0.0235(6) Uani d . 1 1 . .
    H H7D 0.7455 0.7383 0.9463 0.028 Uiso calc R 1 1 . .
    C C8D 0.7386(2) 0.70960(10) 1.00988(10) 0.0226(6) Uani d . 1 1 . .
    C C9D 0.6447(2) 0.69641(11) 1.00945(11) 0.0256(7) Uani d . 1 1 . .
    C C10D 0.5967(2) 0.68893(11) 1.05020(11) 0.0266(7) Uani d . 1 1 . .
    H H10D 0.5326 0.6800 1.0494 0.032 Uiso calc R 1 1 . .
    C C11D 0.6433(2) 0.69465(10) 1.09212(11) 0.0249(7) Uani d . 1 1 . .
    C C12D 0.7368(2) 0.70689(10) 1.09453(11) 0.0246(7) Uani d . 1 1 . .
    C C13D 0.7833(2) 0.71382(10) 1.05297(11) 0.0242(7) Uani d . 1 1 . .
    H H13D 0.8480 0.7217 1.0540 0.029 Uiso calc R 1 1 . .
    C C14D 0.7859(2) 0.71099(11) 1.14178(11) 0.0269(7) Uani d . 1 1 . .
    H H14D 0.7451 0.7293 1.1611 0.032 Uiso calc R 1 1 . .
    C C15D 0.7879(2) 0.66872(12) 1.16476(10) 0.0271(7) Uani d . 1 1 . .
    C C16D 0.7543(3) 0.66291(13) 1.20978(11) 0.0330(8) Uani d . 1 1 . .
    C C17D 0.7475(3) 0.62339(13) 1.22849(12) 0.0377(9) Uani d . 1 1 . .
    H H17D 0.7246 0.6197 1.2590 0.045 Uiso calc R 1 1 . .
    C C18D 0.7746(3) 0.58907(13) 1.20216(12) 0.0353(8) Uani d . 1 1 . .
    C C19D 0.8114(2) 0.59367(11) 1.15822(11) 0.0275(7) Uani d . 1 1 . .
    C C20D 0.8168(2) 0.63369(11) 1.14096(10) 0.0261(7) Uani d . 1 1 . .
    H H20D 0.8418 0.6374 1.1109 0.031 Uiso calc R 1 1 . .
    C C21D 0.8465(3) 0.55645(11) 1.13036(11) 0.0291(7) Uani d . 1 1 . .
    H H21D 0.8230 0.5309 1.1461 0.035 Uiso calc R 1 1 . .
    C C22D 0.8051(2) 0.55628(10) 1.08138(10) 0.0262(7) Uani d . 1 1 . .
    C C23D 0.7085(2) 0.55013(11) 1.07421(11) 0.0273(7) Uani d . 1 1 . .
    C C24D 0.6699(2) 0.54738(11) 1.02982(11) 0.0268(7) Uani d . 1 1 . .
    H H24D 0.6041 0.5427 1.0256 0.032 Uiso calc R 1 1 . .
    C C25D 0.7285(2) 0.55150(11) 0.99182(11) 0.0240(7) Uani d . 1 1 . .
    C C26D 0.8247(2) 0.55976(11) 0.99720(11) 0.0241(7) Uani d . 1 1 . .
    C C27D 0.8603(2) 0.56165(10) 1.04224(11) 0.0252(7) Uani d . 1 1 . .
    H H27D 0.9259 0.5669 1.0465 0.030 Uiso calc R 1 1 . .
    C C28D 0.8848(2) 0.56808(11) 0.95450(11) 0.0246(7) Uani d . 1 1 . .
    H H28D 0.8763 0.5443 0.9326 0.030 Uiso calc R 1 1 . .
    C C29D 0.8370(3) 0.57293(14) 0.81022(12) 0.0431(10) Uani d . 1 1 . .
    H H29J 0.7715 0.5819 0.8050 0.065 Uiso calc R 1 1 . .
    H H29K 0.8453 0.5448 0.7980 0.065 Uiso calc R 1 1 . .
    H H29L 0.8799 0.5920 0.7945 0.065 Uiso calc R 1 1 . .
    C C30D 0.6645(3) 0.72198(13) 0.86260(13) 0.0355(8) Uani d . 1 1 . .
    H H30G 0.6498 0.7516 0.8572 0.043 Uiso calc R 1 1 . .
    H H30H 0.6375 0.7140 0.8927 0.043 Uiso calc R 1 1 . .
    C C31D 0.6195(3) 0.69637(13) 0.82514(15) 0.0428(10) Uani d . 1 1 . .
    C C32D 0.4737(5) 0.6647(2) 0.8036(2) 0.090(2) Uani d . 1 1 . .
    H H32J 0.4677 0.6802 0.7745 0.136 Uiso calc R 1 1 . .
    H H32K 0.4107 0.6598 0.8163 0.136 Uiso calc R 1 1 . .
    H H32L 0.5049 0.6381 0.7978 0.136 Uiso calc R 1 1 . .
    C C33D 0.8841(2) 0.74125(11) 0.97000(11) 0.0270(7) Uani d . 1 1 . .
    H H33G 0.9240 0.7247 0.9914 0.032 Uiso calc R 1 1 . .
    H H33H 0.9158 0.7415 0.9397 0.032 Uiso calc R 1 1 . .
    C C34D 0.8800(2) 0.78596(12) 0.98813(12) 0.0304(7) Uani d . 1 1 . .
    H H34G 0.8448 0.8035 0.9658 0.036 Uiso calc R 1 1 . .
    H H34H 0.8457 0.7865 1.0178 0.036 Uiso calc R 1 1 . .
    C C35D 0.9782(3) 0.80352(11) 0.99530(13) 0.0301(8) Uani d . 1 1 . .
    C C36D 1.0259(3) 0.82269(13) 0.95902(14) 0.0419(9) Uani d . 1 1 . .
    H H36D 0.9954 0.8263 0.9299 0.050 Uiso calc R 1 1 . .
    C C37D 1.1190(3) 0.83655(15) 0.96579(16) 0.0513(11) Uani d . 1 1 . .
    H H37D 1.1519 0.8489 0.9408 0.062 Uiso calc R 1 1 . .
    C C38D 1.1633(3) 0.83252(14) 1.00781(17) 0.0482(11) Uani d . 1 1 . .
    H H38D 1.2261 0.8423 1.0120 0.058 Uiso calc R 1 1 . .
    C C39D 1.1164(3) 0.81424(15) 1.04392(16) 0.0477(10) Uani d . 1 1 . .
    H H39D 1.1469 0.8115 1.0732 0.057 Uiso calc R 1 1 . .
    C C40D 1.0241(3) 0.79977(14) 1.03774(14) 0.0397(9) Uani d . 1 1 . .
    H H40D 0.9923 0.7872 1.0629 0.048 Uiso calc R 1 1 . .
    C C41D 0.5119(3) 0.67344(15) 0.96403(13) 0.0423(10) Uani d . 1 1 . .
    H H41J 0.5134 0.6464 0.9795 0.063 Uiso calc R 1 1 . .
    H H41K 0.4933 0.6697 0.9316 0.063 Uiso calc R 1 1 . .
    H H41L 0.4661 0.6915 0.9793 0.063 Uiso calc R 1 1 . .
    C C42D 0.5611(3) 0.64925(11) 1.14234(13) 0.0320(8) Uani d . 1 1 . .
    H H42G 0.6157 0.6300 1.1432 0.038 Uiso calc R 1 1 . .
    H H42H 0.5182 0.6403 1.1170 0.038 Uiso calc R 1 1 . .
    C C43D 0.5093(3) 0.64697(13) 1.18770(13) 0.0371(9) Uani d . 1 1 . .
    C C44D 0.4151(4) 0.68332(18) 1.24156(17) 0.0702(16) Uani d . 1 1 . .
    H H44J 0.3552 0.6689 1.2355 0.105 Uiso calc R 1 1 . .
    H H44K 0.4022 0.7121 1.2505 0.105 Uiso calc R 1 1 . .
    H H44L 0.4493 0.6693 1.2666 0.105 Uiso calc R 1 1 . .
    C C45D 0.8834(3) 0.73162(12) 1.13942(11) 0.0304(8) Uani d . 1 1 . .
    H H45G 0.9279 0.7127 1.1237 0.037 Uiso calc R 1 1 . .
    H H45H 0.8785 0.7573 1.1208 0.037 Uiso calc R 1 1 . .
    C C46D 0.9228(3) 0.74229(16) 1.18744(13) 0.0471(11) Uani d . 1 1 . .
    H H46G 0.8728 0.7561 1.2056 0.057 Uiso calc R 1 1 . .
    H H46H 0.9406 0.7164 1.2037 0.057 Uiso calc R 1 1 . .
    C C47D 1.0080(3) 0.77037(16) 1.18500(12) 0.0456(11) Uani d . 1 1 . .
    C C48D 0.9991(4) 0.81137(17) 1.17239(15) 0.0546(12) Uani d . 1 1 . .
    H H48D 0.9384 0.8216 1.1637 0.065 Uiso calc R 1 1 . .
    C C49D 1.0755(4) 0.83820(19) 1.17188(18) 0.0640(14) Uani d . 1 1 . .
    H H49D 1.0672 0.8665 1.1634 0.077 Uiso calc R 1 1 . .
    C C50D 1.1646(4) 0.8232(2) 1.18391(16) 0.0617(14) Uani d . 1 1 . .
    H H50D 1.2179 0.8411 1.1833 0.074 Uiso calc R 1 1 . .
    C C51D 1.1753(3) 0.78279(19) 1.19651(14) 0.0546(13) Uani d . 1 1 . .
    H H51D 1.2360 0.7727 1.2054 0.066 Uiso calc R 1 1 . .
    C C52D 1.0980(3) 0.75608(17) 1.19643(13) 0.0500(11) Uani d . 1 1 . .
    H H52D 1.1068 0.7277 1.2043 0.060 Uiso calc R 1 1 . .
    C C53D 0.6941(5) 0.69408(19) 1.27797(13) 0.0715(18) Uani d . 1 1 . .
    H H53J 0.6363 0.6773 1.2776 0.107 Uiso calc R 1 1 . .
    H H53K 0.6802 0.7216 1.2906 0.107 Uiso calc R 1 1 . .
    H H53L 0.7422 0.6804 1.2973 0.107 Uiso calc R 1 1 . .
    C C54D 0.6951(4) 0.54023(18) 1.25043(16) 0.0583(13) Uani d . 1 1 . .
    H H54G 0.6703 0.5121 1.2440 0.070 Uiso calc R 1 1 . .
    H H54H 0.6427 0.5601 1.2451 0.070 Uiso calc R 1 1 . .
    C C55D 0.7230(4) 0.54227(17) 1.30033(16) 0.0599(13) Uani d . 1 1 . .
    C C56D 0.8448(6) 0.5573(3) 1.3548(2) 0.110(3) Uani d . 1 1 . .
    H H56J 0.8061 0.5771 1.3720 0.165 Uiso calc R 1 1 . .
    H H56K 0.9110 0.5664 1.3554 0.165 Uiso calc R 1 1 . .
    H H56L 0.8400 0.5298 1.3690 0.165 Uiso calc R 1 1 . .
    C C57D 0.9557(3) 0.55471(12) 1.13162(11) 0.0329(8) Uani d . 1 1 . .
    H H57G 0.9777 0.5333 1.1096 0.039 Uiso calc R 1 1 . .
    H H57H 0.9814 0.5818 1.1216 0.039 Uiso calc R 1 1 . .
    C C58D 0.9938(3) 0.54457(18) 1.17988(14) 0.0523(12) Uani d . 1 1 . .
    H H58G 0.9627 0.5629 1.2026 0.063 Uiso calc R 1 1 . .
    H H58H 0.9767 0.5156 1.1876 0.063 Uiso calc R 1 1 . .
    C C59D 1.0996(3) 0.54957(14) 1.18446(13) 0.0436(10) Uani d . 1 1 . .
    C C60D 1.1596(4) 0.52542(19) 1.1591(2) 0.0725(17) Uani d . 1 1 . .
    H H60D 1.1342 0.5057 1.1381 0.087 Uiso calc R 1 1 . .
    C C61D 1.2574(5) 0.5293(3) 1.1637(2) 0.099(2) Uani d . 1 1 . .
    H H61D 1.2975 0.5113 1.1469 0.119 Uiso calc R 1 1 . .
    C C62D 1.2964(4) 0.5588(2) 1.1921(2) 0.0765(18) Uani d . 1 1 . .
    H H62D 1.3630 0.5625 1.1941 0.092 Uiso calc R 1 1 . .
    C C63D 1.2372(5) 0.5823(2) 1.2172(2) 0.0758(18) Uani d . 1 1 . .
    H H63D 1.2630 0.6023 1.2379 0.091 Uiso calc R 1 1 . .
    C C64D 1.1388(4) 0.57823(18) 1.21380(16) 0.0617(14) Uani d . 1 1 . .
    H H64D 1.0991 0.5954 1.2319 0.074 Uiso calc R 1 1 . .
    C C65D 0.5544(3) 0.54612(13) 1.10817(13) 0.0381(8) Uani d . 1 1 . .
    H H65J 0.5347 0.5696 1.0888 0.057 Uiso calc R 1 1 . .
    H H65K 0.5251 0.5485 1.1386 0.057 Uiso calc R 1 1 . .
    H H65L 0.5344 0.5201 1.0935 0.057 Uiso calc R 1 1 . .
    C C66D 0.5971(3) 0.55178(15) 0.94016(13) 0.0438(10) Uani d . 1 1 . .
    H H66G 0.5737 0.5771 0.9558 0.053 Uiso calc R 1 1 . .
    H H66H 0.5658 0.5275 0.9544 0.053 Uiso calc R 1 1 . .
    C C67D 0.5703(3) 0.55367(16) 0.88947(13) 0.0485(11) Uani d . 1 1 . .
    C C68D 0.5984(4) 0.53020(16) 0.81441(14) 0.0506(12) Uani d . 1 1 . .
    H H68J 0.5426 0.5122 0.8129 0.076 Uiso calc R 1 1 . .
    H H68K 0.6495 0.5179 0.7963 0.076 Uiso calc R 1 1 . .
    H H68L 0.5825 0.5576 0.8018 0.076 Uiso calc R 1 1 . .
    C C69D 0.9912(2) 0.57360(11) 0.96396(12) 0.0302(7) Uani d . 1 1 . .
    H H69G 1.0200 0.5850 0.9356 0.036 Uiso calc R 1 1 . .
    H H69H 0.9987 0.5948 0.9885 0.036 Uiso calc R 1 1 . .
    C C70D 1.0484(3) 0.53524(13) 0.97847(14) 0.0396(9) Uani d . 1 1 . .
    H H70G 1.0230 0.5239 1.0076 0.047 Uiso calc R 1 1 . .
    H H70H 1.0425 0.5135 0.9544 0.047 Uiso calc R 1 1 . .
    C C71D 1.1510(3) 0.54668(14) 0.98517(17) 0.0455(10) Uani d . 1 1 . .
    C C72D 1.2143(4) 0.5444(2) 0.9493(2) 0.0774(19) Uani d . 1 1 . .
    H H72D 1.1956 0.5325 0.9206 0.093 Uiso calc R 1 1 . .
    C C73D 1.3082(5) 0.5601(3) 0.9557(4) 0.114(3) Uani d . 1 1 . .
    H H73D 1.3522 0.5596 0.9311 0.137 Uiso calc R 1 1 . .
    C C74D 1.3337(6) 0.5760(3) 0.9986(5) 0.129(4) Uani d . 1 1 . .
    H H74D 1.3964 0.5860 1.0030 0.155 Uiso calc R 1 1 . .
    C C75D 1.2723(5) 0.5779(2) 1.0348(4) 0.104(3) Uani d . 1 1 . .
    H H75D 1.2912 0.5887 1.0640 0.125 Uiso calc R 1 1 . .
    C C76D 1.1820(4) 0.56335(17) 1.0270(2) 0.0694(15) Uani d . 1 1 . .
    H H76D 1.1382 0.5648 1.0517 0.083 Uiso calc R 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    O1A C2A . 1.373(4) ?
    O1A C29A . 1.430(5) ?
    O2A C4A . 1.398(4) ?
    O2A C30A . 1.425(5) ?
    O3A C31A . 1.196(6) ?
    O4A C31A . 1.341(6) ?
    O4A C32A . 1.452(7) ?
    O5A C9A . 1.375(4) ?
    O5A C41A . 1.412(4) ?
    O6A C11A . 1.393(4) ?
    O6A C42A . 1.415(4) ?
    O7A C43A . 1.209(5) ?
    O8A C43A . 1.316(5) ?
    O8A C44A . 1.443(5) ?
    O9A C16A . 1.362(4) ?
    O9A C53A . 1.412(4) ?
    O10A C18A . 1.383(5) ?
    O10A C54A . 1.426(4) ?
    O11A C55A . 1.197(6) ?
    O12A C55A . 1.289(5) ?
    O12A C56A . 1.454(6) ?
    O13A C23A . 1.375(4) ?
    O13A C65A . 1.426(5) ?
    O14A C25A . 1.382(4) ?
    O14A C66A . 1.396(5) ?
    O15A C67A . 1.196(6) ?
    O16A C67A . 1.314(5) ?
    O16A C68A . 1.441(5) ?
    C1A C6A . 1.393(5) ?
    C1A C2A . 1.404(4) ?
    C1A C28A . 1.529(5) ?
    C2A C3A . 1.377(5) ?
    C3A C4A . 1.392(5) ?
    C3A H3A . 0.9500 ?
    C4A C5A . 1.395(4) ?
    C5A C6A . 1.393(5) ?
    C5A C7A . 1.524(5) ?
    C6A H6A . 0.9500 ?
    C7A C8A . 1.528(4) ?
    C7A C33A . 1.553(5) ?
    C7A H7A . 1.0000 ?
    C8A C13A . 1.393(4) ?
    C8A C9A . 1.401(5) ?
    C9A C10A . 1.391(5) ?
    C10A C11A . 1.388(5) ?
    C10A H10A . 0.9500 ?
    C11A C12A . 1.390(5) ?
    C12A C13A . 1.409(4) ?
    C12A C14A . 1.511(4) ?
    C13A H13A . 0.9500 ?
    C14A C15A . 1.513(5) ?
    C14A C45A . 1.546(5) ?
    C14A H14A . 1.0000 ?
    C15A C20A . 1.397(5) ?
    C15A C16A . 1.400(4) ?
    C16A C17A . 1.393(5) ?
    C17A C18A . 1.387(5) ?
    C17A H17A . 0.9500 ?
    C18A C19A . 1.405(4) ?
    C19A C20A . 1.384(5) ?
    C19A C21A . 1.518(5) ?
    C20A H20A . 0.9500 ?
    C21A C57A . 1.531(5) ?
    C21A C22A . 1.534(5) ?
    C21A H21A . 1.0000 ?
    C22A C27A . 1.393(4) ?
    C22A C23A . 1.397(5) ?
    C23A C24A . 1.395(5) ?
    C24A C25A . 1.383(5) ?
    C24A H24A . 0.9500 ?
    C25A C26A . 1.398(5) ?
    C26A C27A . 1.395(5) ?
    C26A C28A . 1.522(4) ?
    C27A H27A . 0.9500 ?
    C28A C69A . 1.543(5) ?
    C28A H28A . 1.0000 ?
    C29A H29A . 0.9800 ?
    C29A H29B . 0.9800 ?
    C29A H29C . 0.9800 ?
    C30A C31A . 1.500(6) ?
    C30A H30A . 0.9900 ?
    C30A H30B . 0.9900 ?
    C32A H32A . 0.9800 ?
    C32A H32B . 0.9800 ?
    C32A H32C . 0.9800 ?
    C33A C34A . 1.535(5) ?
    C33A H33A . 0.9900 ?
    C33A H33B . 0.9900 ?
    C34A C35A . 1.508(5) ?
    C34A H34A . 0.9900 ?
    C34A H34B . 0.9900 ?
    C35A C40A . 1.387(5) ?
    C35A C36A . 1.397(5) ?
    C36A C37A . 1.378(6) ?
    C36A H36A . 0.9500 ?
    C37A C38A . 1.380(6) ?
    C37A H37A . 0.9500 ?
    C38A C39A . 1.370(6) ?
    C38A H38A . 0.9500 ?
    C39A C40A . 1.391(6) ?
    C39A H39A . 0.9500 ?
    C40A H40A . 0.9500 ?
    C41A H41A . 0.9800 ?
    C41A H41B . 0.9800 ?
    C41A H41C . 0.9800 ?
    C42A C43A . 1.513(5) ?
    C42A H42A . 0.9900 ?
    C42A H42B . 0.9900 ?
    C44A H44A . 0.9800 ?
    C44A H44B . 0.9800 ?
    C44A H44C . 0.9800 ?
    C45A C46A . 1.534(5) ?
    C45A H45A . 0.9900 ?
    C45A H45B . 0.9900 ?
    C46A C47A . 1.500(6) ?
    C46A H46A . 0.9900 ?
    C46A H46B . 0.9900 ?
    C47A C48A . 1.390(7) ?
    C47A C52A . 1.393(7) ?
    C48A C49A . 1.388(7) ?
    C48A H48A . 0.9500 ?
    C49A C50A . 1.365(8) ?
    C49A H49A . 0.9500 ?
    C50A C51A . 1.372(8) ?
    C50A H50A . 0.9500 ?
    C51A C52A . 1.372(7) ?
    C51A H51A . 0.9500 ?
    C52A H52A . 0.9500 ?
    C53A H53A . 0.9800 ?
    C53A H53B . 0.9800 ?
    C53A H53C . 0.9800 ?
    C54A C55A . 1.503(6) ?
    C54A H54A . 0.9900 ?
    C54A H54B . 0.9900 ?
    C56A H56A . 0.9800 ?
    C56A H56B . 0.9800 ?
    C56A H56C . 0.9800 ?
    C57A C58A . 1.532(5) ?
    C57A H57A . 0.9900 ?
    C57A H57B . 0.9900 ?
    C58A C59A . 1.496(6) ?
    C58A H58A . 0.9900 ?
    C58A H58B . 0.9900 ?
    C59A C60A . 1.373(7) ?
    C59A C64A . 1.398(6) ?
    C60A C61A . 1.406(6) ?
    C60A H60A . 0.9500 ?
    C61A C62A . 1.354(8) ?
    C61A H61A . 0.9500 ?
    C62A C63A . 1.360(9) ?
    C62A H62A . 0.9500 ?
    C63A C64A . 1.397(8) ?
    C63A H63A . 0.9500 ?
    C64A H64A . 0.9500 ?
    C65A H65A . 0.9800 ?
    C65A H65B . 0.9800 ?
    C65A H65C . 0.9800 ?
    C66A C67A . 1.513(6) ?
    C66A H66A . 0.9900 ?
    C66A H66B . 0.9900 ?
    C68A H68A . 0.9800 ?
    C68A H68B . 0.9800 ?
    C68A H68C . 0.9800 ?
    C69A C70A . 1.542(5) ?
    C69A H69A . 0.9900 ?
    C69A H69B . 0.9900 ?
    C70A C71A . 1.509(5) ?
    C70A H70A . 0.9900 ?
    C70A H70B . 0.9900 ?
    C71A C76A . 1.376(6) ?
    C71A C72A . 1.405(6) ?
    C72A C73A . 1.388(6) ?
    C72A H72A . 0.9500 ?
    C73A C74A . 1.379(7) ?
    C73A H73A . 0.9500 ?
    C74A C75A . 1.374(8) ?
    C74A H74A . 0.9500 ?
    C75A C76A . 1.407(7) ?
    C75A H75A . 0.9500 ?
    C76A H76A . 0.9500 ?
    O1B C2B . 1.380(4) ?
    O1B C29B . 1.425(4) ?
    O2B C4B . 1.380(4) ?
    O2B C30B . 1.426(4) ?
    O3B C31B . 1.202(5) ?
    O4B C31B . 1.317(5) ?
    O4B C32B . 1.425(7) ?
    O5B C9B . 1.360(4) ?
    O5B C41B . 1.420(5) ?
    O6B C11B . 1.389(4) ?
    O6B C42B . 1.433(5) ?
    O7B C43B . 1.209(7) ?
    O8B C43B . 1.303(7) ?
    O8B C44B . 1.461(6) ?
    O9B C16B . 1.375(4) ?
    O9B C53B . 1.414(5) ?
    O10B C18B . 1.397(4) ?
    O10B C54B . 1.420(5) ?
    O11B C55B . 1.178(6) ?
    O12B C55B . 1.346(7) ?
    O12B C56B . 1.444(8) ?
    O13B C23B . 1.371(4) ?
    O13B C65B . 1.415(5) ?
    O14B C25B . 1.398(4) ?
    O14B C66B . 1.416(5) ?
    O15B C67B . 1.190(5) ?
    O16B C67B . 1.316(5) ?
    O16B C68B . 1.468(5) ?
    C1B C6B . 1.386(5) ?
    C1B C2B . 1.394(4) ?
    C1B C28B . 1.528(5) ?
    C2B C3B . 1.392(5) ?
    C3B C4B . 1.396(5) ?
    C3B H3B . 0.9500 ?
    C4B C5B . 1.401(4) ?
    C5B C6B . 1.387(5) ?
    C5B C7B . 1.519(5) ?
    C6B H6B . 0.9500 ?
    C7B C8B . 1.528(4) ?
    C7B C33B . 1.537(5) ?
    C7B H7B . 1.0000 ?
    C8B C13B . 1.383(4) ?
    C8B C9B . 1.406(5) ?
    C9B C10B . 1.385(5) ?
    C10B C11B . 1.390(5) ?
    C10B H10B . 0.9500 ?
    C11B C12B . 1.391(5) ?
    C12B C13B . 1.401(5) ?
    C12B C14B . 1.517(4) ?
    C13B H13B . 0.9500 ?
    C14B C15B . 1.527(5) ?
    C14B C45B . 1.535(5) ?
    C14B H14B . 1.0000 ?
    C15B C20B . 1.381(5) ?
    C15B C16B . 1.402(4) ?
    C16B C17B . 1.387(5) ?
    C17B C18B . 1.394(5) ?
    C17B H17B . 0.9500 ?
    C18B C19B . 1.396(4) ?
    C19B C20B . 1.398(5) ?
    C19B C21B . 1.525(5) ?
    C20B H20B . 0.9500 ?
    C21B C22B . 1.521(4) ?
    C21B C57B . 1.544(5) ?
    C21B H21B . 1.0000 ?
    C22B C27B . 1.396(4) ?
    C22B C23B . 1.408(5) ?
    C23B C24B . 1.383(5) ?
    C24B C25B . 1.383(5) ?
    C24B H24B . 0.9500 ?
    C25B C26B . 1.393(5) ?
    C26B C27B . 1.391(4) ?
    C26B C28B . 1.524(4) ?
    C27B H27B . 0.9500 ?
    C28B C69B . 1.527(5) ?
    C28B H28B . 1.0000 ?
    C29B H29D . 0.9800 ?
    C29B H29E . 0.9800 ?
    C29B H29F . 0.9800 ?
    C30B C31B . 1.483(6) ?
    C30B H30C . 0.9900 ?
    C30B H30D . 0.9900 ?
    C32B H32D . 0.9800 ?
    C32B H32E . 0.9800 ?
    C32B H32F . 0.9800 ?
    C33B C34B . 1.539(5) ?
    C33B H33C . 0.9900 ?
    C33B H33D . 0.9900 ?
    C34B C35B . 1.514(5) ?
    C34B H34C . 0.9900 ?
    C34B H34D . 0.9900 ?
    C35B C36B . 1.370(6) ?
    C35B C40B . 1.387(6) ?
    C36B C37B . 1.385(6) ?
    C36B H36B . 0.9500 ?
    C37B C38B . 1.377(6) ?
    C37B H37B . 0.9500 ?
    C38B C39B . 1.374(7) ?
    C38B H38B . 0.9500 ?
    C39B C40B . 1.377(6) ?
    C39B H39B . 0.9500 ?
    C40B H40B . 0.9500 ?
    C41B H41D . 0.9800 ?
    C41B H41E . 0.9800 ?
    C41B H41F . 0.9800 ?
    C42B C43B . 1.491(6) ?
    C42B H42C . 0.9900 ?
    C42B H42D . 0.9900 ?
    C44B H44D . 0.9800 ?
    C44B H44E . 0.9800 ?
    C44B H44F . 0.9800 ?
    C45B C46B . 1.538(5) ?
    C45B H45C . 0.9900 ?
    C45B H45D . 0.9900 ?
    C46B C47B . 1.519(5) ?
    C46B H46C . 0.9900 ?
    C46B H46D . 0.9900 ?
    C47B C52B . 1.378(6) ?
    C47B C48B . 1.384(6) ?
    C48B C49B . 1.387(7) ?
    C48B H48B . 0.9500 ?
    C49B C50B . 1.360(8) ?
    C49B H49B . 0.9500 ?
    C50B C51B . 1.395(7) ?
    C50B H50B . 0.9500 ?
    C51B C52B . 1.390(7) ?
    C51B H51B . 0.9500 ?
    C52B H52B . 0.9500 ?
    C53B H53D . 0.9800 ?
    C53B H53E . 0.9800 ?
    C53B H53F . 0.9800 ?
    C54B C55B . 1.520(6) ?
    C54B H54C . 0.9900 ?
    C54B H54D . 0.9900 ?
    C56B H56D . 0.9800 ?
    C56B H56E . 0.9800 ?
    C56B H56F . 0.9800 ?
    C57B C58B . 1.536(5) ?
    C57B H57C . 0.9900 ?
    C57B H57D . 0.9900 ?
    C58B C59B . 1.507(5) ?
    C58B H58C . 0.9900 ?
    C58B H58D . 0.9900 ?
    C59B C64B . 1.386(5) ?
    C59B C60B . 1.388(5) ?
    C60B C61B . 1.385(6) ?
    C60B H60B . 0.9500 ?
    C61B C62B . 1.379(6) ?
    C61B H61B . 0.9500 ?
    C62B C63B . 1.363(6) ?
    C62B H62B . 0.9500 ?
    C63B C64B . 1.390(6) ?
    C63B H63B . 0.9500 ?
    C64B H64B . 0.9500 ?
    C65B H65D . 0.9800 ?
    C65B H65E . 0.9800 ?
    C65B H65F . 0.9800 ?
    C66B C67B . 1.527(5) ?
    C66B H66C . 0.9900 ?
    C66B H66D . 0.9900 ?
    C68B H68D . 0.9800 ?
    C68B H68E . 0.9800 ?
    C68B H68F . 0.9800 ?
    C69B C70B . 1.532(5) ?
    C69B H69C . 0.9900 ?
    C69B H69D . 0.9900 ?
    C70B C71B . 1.507(6) ?
    C70B H70C . 0.9900 ?
    C70B H70D . 0.9900 ?
    C71B C76B . 1.363(7) ?
    C71B C72B . 1.392(7) ?
    C72B C73B . 1.385(7) ?
    C72B H72B . 0.9500 ?
    C73B C74B . 1.351(9) ?
    C73B H73B . 0.9500 ?
    C74B C75B . 1.355(9) ?
    C74B H74B . 0.9500 ?
    C75B C76B . 1.413(8) ?
    C75B H75B . 0.9500 ?
    C76B H76B . 0.9500 ?
    O1C C2C . 1.381(4) ?
    O1C C29C . 1.439(5) ?
    O2C C4C . 1.394(4) ?
    O2C C30C . 1.431(5) ?
    O3C C31C . 1.177(6) ?
    O4C C31C . 1.354(6) ?
    O4C C32C . 1.454(6) ?
    O5C C9C . 1.375(4) ?
    O5C C41C . 1.433(5) ?
    O6C C11C . 1.388(4) ?
    O6C C42C . 1.425(5) ?
    O7C C43C . 1.201(5) ?
    O8C C43C . 1.333(6) ?
    O8C C44C . 1.458(6) ?
    O9C C16C . 1.374(4) ?
    O9C C53C . 1.403(5) ?
    C54C C55C . 1.428(8) ?
    C54C O10C . 1.444(6) ?
    C54C H54E . 0.9900 ?
    C54C H54F . 0.9900 ?
    O11C C55C . 1.166(7) ?
    O12C C55C . 1.338(8) ?
    O12C C56C . 1.536(8) ?
    O13C C23C . 1.373(4) ?
    O13C C65C . 1.427(5) ?
    O14C C25C . 1.399(4) ?
    O14C C66C . 1.402(6) ?
    O15C C67C . 1.193(6) ?
    O16C C67C . 1.337(6) ?
    O16C C68C . 1.455(5) ?
    C1C C6C . 1.393(5) ?
    C1C C2C . 1.403(5) ?
    C1C C28C . 1.517(5) ?
    C2C C3C . 1.372(5) ?
    C3C C4C . 1.390(5) ?
    C3C H3C . 0.9500 ?
    C4C C5C . 1.397(4) ?
    C5C C6C . 1.382(5) ?
    C5C C7C . 1.534(4) ?
    C6C H6C . 0.9500 ?
    C7C C8C . 1.518(5) ?
    C7C C33C . 1.532(5) ?
    C7C H7C . 1.0000 ?
    C8C C13C . 1.388(4) ?
    C8C C9C . 1.405(5) ?
    C9C C10C . 1.381(5) ?
    C10C C11C . 1.388(5) ?
    C10C H10C . 0.9500 ?
    C11C C12C . 1.389(5) ?
    C12C C13C . 1.398(5) ?
    C12C C14C . 1.516(4) ?
    C13C H13C . 0.9500 ?
    C14C C15C . 1.514(5) ?
    C14C C45C . 1.535(5) ?
    C14C H14C . 1.0000 ?
    C15C C16C . 1.396(5) ?
    C15C C20C . 1.397(5) ?
    C16C C17C . 1.381(5) ?
    C17C C18C . 1.393(5) ?
    C17C H17C . 0.9500 ?
    C18C O10C . 1.387(5) ?
    C18C C19C . 1.395(5) ?
    C19C C20C . 1.388(5) ?
    C19C C21C . 1.519(5) ?
    C20C H20C . 0.9500 ?
    C21C C22C . 1.519(5) ?
    C21C C57C . 1.528(5) ?
    C21C H21C . 1.0000 ?
    C22C C27C . 1.394(5) ?
    C22C C23C . 1.402(5) ?
    C23C C24C . 1.397(5) ?
    C24C C25C . 1.384(5) ?
    C24C H24C . 0.9500 ?
    C25C C26C . 1.397(5) ?
    C26C C27C . 1.401(5) ?
    C26C C28C . 1.517(4) ?
    C27C H27C . 0.9500 ?
    C28C C69C . 1.548(5) ?
    C28C H28C . 1.0000 ?
    C29C H29G . 0.9800 ?
    C29C H29H . 0.9800 ?
    C29C H29I . 0.9800 ?
    C30C C31C . 1.521(6) ?
    C30C H30E . 0.9900 ?
    C30C H30F . 0.9900 ?
    C32C H32G . 0.9800 ?
    C32C H32H . 0.9800 ?
    C32C H32I . 0.9800 ?
    C33C C34C . 1.537(5) ?
    C33C H33E . 0.9900 ?
    C33C H33F . 0.9900 ?
    C34C C35C . 1.521(5) ?
    C34C H34E . 0.9900 ?
    C34C H34F . 0.9900 ?
    C35C C40C . 1.370(5) ?
    C35C C36C . 1.387(6) ?
    C36C C37C . 1.389(7) ?
    C36C H36C . 0.9500 ?
    C37C C38C . 1.360(7) ?
    C37C H37C . 0.9500 ?
    C38C C39C . 1.373(7) ?
    C38C H38C . 0.9500 ?
    C39C C40C . 1.395(6) ?
    C39C H39C . 0.9500 ?
    C40C H40C . 0.9500 ?
    C41C H41G . 0.9800 ?
    C41C H41H . 0.9800 ?
    C41C H41I . 0.9800 ?
    C42C C43C . 1.508(6) ?
    C42C H42E . 0.9900 ?
    C42C H42F . 0.9900 ?
    C44C H44G . 0.9800 ?
    C44C H44H . 0.9800 ?
    C44C H44I . 0.9800 ?
    C45C C46C . 1.524(5) ?
    C45C H45E . 0.9900 ?
    C45C H45F . 0.9900 ?
    C46C C47C . 1.521(6) ?
    C46C H46E . 0.9900 ?
    C46C H46F . 0.9900 ?
    C47C C52C . 1.374(7) ?
    C47C C48C . 1.381(7) ?
    C48C C49C . 1.377(7) ?
    C48C H48C . 0.9500 ?
    C49C C50C . 1.377(8) ?
    C49C H49C . 0.9500 ?
    C50C C51C . 1.357(8) ?
    C50C H50C . 0.9500 ?
    C51C C52C . 1.390(7) ?
    C51C H51C . 0.9500 ?
    C52C H52C . 0.9500 ?
    C53C H53G . 0.9800 ?
    C53C H53H . 0.9800 ?
    C53C H53I . 0.9800 ?
    C56C H56G . 0.9800 ?
    C56C H56H . 0.9800 ?
    C56C H56I . 0.9800 ?
    C57C C58C . 1.527(5) ?
    C57C H57E . 0.9900 ?
    C57C H57F . 0.9900 ?
    C58C C59C . 1.508(6) ?
    C58C H58E . 0.9900 ?
    C58C H58F . 0.9900 ?
    C59C C60C . 1.368(7) ?
    C59C C64C . 1.392(6) ?
    C60C C61C . 1.387(7) ?
    C60C H60C . 0.9500 ?
    C61C C62C . 1.370(9) ?
    C61C H61C . 0.9500 ?
    C62C C63C . 1.373(10) ?
    C62C H62C . 0.9500 ?
    C63C C64C . 1.371(9) ?
    C63C H63C . 0.9500 ?
    C64C H64C . 0.9500 ?
    C65C H65G . 0.9800 ?
    C65C H65H . 0.9800 ?
    C65C H65I . 0.9800 ?
    C66C C67C . 1.485(6) ?
    C66C H66E . 0.9900 ?
    C66C H66F . 0.9900 ?
    C68C H68G . 0.9800 ?
    C68C H68H . 0.9800 ?
    C68C H68I . 0.9800 ?
    C69C C70C . 1.539(5) ?
    C69C H69E . 0.9900 ?
    C69C H69F . 0.9900 ?
    C70C C71C . 1.498(6) ?
    C70C H70E . 0.9900 ?
    C70C H70F . 0.9900 ?
    C71C C72C . 1.384(7) ?
    C71C C76C . 1.391(7) ?
    C72C C73C . 1.380(8) ?
    C72C H72C . 0.9500 ?
    C73C C74C . 1.384(13) ?
    C73C H73C . 0.9500 ?
    C74C C75C . 1.394(13) ?
    C74C H74C . 0.9500 ?
    C75C C76C . 1.394(9) ?
    C75C H75C . 0.9500 ?
    C76C H76C . 0.9500 ?
    O1D C2D . 1.370(4) ?
    O1D C29D . 1.429(4) ?
    O2D C4D . 1.394(4) ?
    O2D C30D . 1.436(4) ?
    O3D C31D . 1.190(5) ?
    O4D C31D . 1.334(6) ?
    O4D C32D . 1.453(6) ?
    O5D C9D . 1.378(4) ?
    O5D C41D . 1.421(5) ?
    O6D C11D . 1.396(4) ?
    O6D C42D . 1.423(4) ?
    O7D C43D . 1.203(5) ?
    O8D C43D . 1.325(5) ?
    O8D C44D . 1.448(5) ?
    O9D C16D . 1.372(5) ?
    O9D C53D . 1.403(5) ?
    O10D C18D . 1.384(5) ?
    O10D C54D . 1.409(5) ?
    O11D C55D . 1.176(6) ?
    O12D C55D . 1.326(7) ?
    O12D C56D . 1.466(6) ?
    O13D C23D . 1.378(4) ?
    O13D C65D . 1.420(5) ?
    O14D C25D . 1.378(4) ?
    O14D C66D . 1.402(4) ?
    O15D C67D . 1.212(5) ?
    O16D C67D . 1.304(5) ?
    O16D C68D . 1.459(4) ?
    C1D C6D . 1.383(5) ?
    C1D C2D . 1.416(4) ?
    C1D C28D . 1.519(5) ?
    C2D C3D . 1.379(5) ?
    C3D C4D . 1.393(5) ?
    C3D H3D . 0.9500 ?
    C4D C5D . 1.398(4) ?
    C5D C6D . 1.395(5) ?
    C5D C7D . 1.521(5) ?
    C6D H6D . 0.9500 ?
    C7D C8D . 1.530(4) ?
    C7D C33D . 1.542(5) ?
    C7D H7D . 1.0000 ?
    C8D C9D . 1.393(5) ?
    C8D C13D . 1.399(4) ?
    C9D C10D . 1.388(5) ?
    C10D C11D . 1.387(5) ?
    C10D H10D . 0.9500 ?
    C11D C12D . 1.381(5) ?
    C12D C13D . 1.394(4) ?
    C12D C14D . 1.533(4) ?
    C13D H13D . 0.9500 ?
    C14D C15D . 1.516(5) ?
    C14D C45D . 1.533(5) ?
    C14D H14D . 1.0000 ?
    C15D C20D . 1.386(5) ?
    C15D C16D . 1.404(5) ?
    C16D C17D . 1.388(6) ?
    C17D C18D . 1.398(6) ?
    C17D H17D . 0.9500 ?
    C18D C19D . 1.387(5) ?
    C19D C20D . 1.386(5) ?
    C19D C21D . 1.530(5) ?
    C20D H20D . 0.9500 ?
    C21D C22D . 1.528(4) ?
    C21D C57D . 1.546(5) ?
    C21D H21D . 1.0000 ?
    C22D C27D . 1.392(5) ?
    C22D C23D . 1.394(5) ?
    C23D C24D . 1.393(5) ?
    C24D C25D . 1.389(5) ?
    C24D H24D . 0.9500 ?
    C25D C26D . 1.394(5) ?
    C26D C27D . 1.394(4) ?
    C26D C28D . 1.530(4) ?
    C27D H27D . 0.9500 ?
    C28D C69D . 1.536(5) ?
    C28D H28D . 1.0000 ?
    C29D H29J . 0.9800 ?
    C29D H29K . 0.9800 ?
    C29D H29L . 0.9800 ?
    C30D C31D . 1.499(5) ?
    C30D H30G . 0.9900 ?
    C30D H30H . 0.9900 ?
    C32D H32J . 0.9800 ?
    C32D H32K . 0.9800 ?
    C32D H32L . 0.9800 ?
    C33D C34D . 1.535(5) ?
    C33D H33G . 0.9900 ?
    C33D H33H . 0.9900 ?
    C34D C35D . 1.511(5) ?
    C34D H34G . 0.9900 ?
    C34D H34H . 0.9900 ?
    C35D C40D . 1.388(5) ?
    C35D C36D . 1.398(5) ?
    C36D C37D . 1.402(6) ?
    C36D H36D . 0.9500 ?
    C37D C38D . 1.368(7) ?
    C37D H37D . 0.9500 ?
    C38D C39D . 1.376(7) ?
    C38D H38D . 0.9500 ?
    C39D C40D . 1.395(6) ?
    C39D H39D . 0.9500 ?
    C40D H40D . 0.9500 ?
    C41D H41J . 0.9800 ?
    C41D H41K . 0.9800 ?
    C41D H41L . 0.9800 ?
    C42D C43D . 1.511(5) ?
    C42D H42G . 0.9900 ?
    C42D H42H . 0.9900 ?
    C44D H44J . 0.9800 ?
    C44D H44K . 0.9800 ?
    C44D H44L . 0.9800 ?
    C45D C46D . 1.531(5) ?
    C45D H45G . 0.9900 ?
    C45D H45H . 0.9900 ?
    C46D C47D . 1.509(6) ?
    C46D H46G . 0.9900 ?
    C46D H46H . 0.9900 ?
    C47D C48D . 1.376(7) ?
    C47D C52D . 1.390(7) ?
    C48D C49D . 1.384(7) ?
    C48D H48D . 0.9500 ?
    C49D C50D . 1.390(8) ?
    C49D H49D . 0.9500 ?
    C50D C51D . 1.360(8) ?
    C50D H50D . 0.9500 ?
    C51D C52D . 1.391(7) ?
    C51D H51D . 0.9500 ?
    C52D H52D . 0.9500 ?
    C53D H53J . 0.9800 ?
    C53D H53K . 0.9800 ?
    C53D H53L . 0.9800 ?
    C54D C55D . 1.494(7) ?
    C54D H54G . 0.9900 ?
    C54D H54H . 0.9900 ?
    C56D H56J . 0.9800 ?
    C56D H56K . 0.9800 ?
    C56D H56L . 0.9800 ?
    C57D C58D . 1.527(5) ?
    C57D H57G . 0.9900 ?
    C57D H57H . 0.9900 ?
    C58D C59D . 1.510(6) ?
    C58D H58G . 0.9900 ?
    C58D H58H . 0.9900 ?
    C59D C64D . 1.368(7) ?
    C59D C60D . 1.369(7) ?
    C60D C61D . 1.392(8) ?
    C60D H60D . 0.9500 ?
    C61D C62D . 1.368(9) ?
    C61D H61D . 0.9500 ?
    C62D C63D . 1.348(9) ?
    C62D H62D . 0.9500 ?
    C63D C64D . 1.399(8) ?
    C63D H63D . 0.9500 ?
    C64D H64D . 0.9500 ?
    C65D H65J . 0.9800 ?
    C65D H65K . 0.9800 ?
    C65D H65L . 0.9800 ?
    C66D C67D . 1.513(5) ?
    C66D H66G . 0.9900 ?
    C66D H66H . 0.9900 ?
    C68D H68J . 0.9800 ?
    C68D H68K . 0.9800 ?
    C68D H68L . 0.9800 ?
    C69D C70D . 1.533(5) ?
    C69D H69G . 0.9900 ?
    C69D H69H . 0.9900 ?
    C70D C71D . 1.507(6) ?
    C70D H70G . 0.9900 ?
    C70D H70H . 0.9900 ?
    C71D C72D . 1.379(7) ?
    C71D C76D . 1.392(8) ?
    C72D C73D . 1.431(11) ?
    C72D H72D . 0.9500 ?
    C73D C74D . 1.389(13) ?
    C73D H73D . 0.9500 ?
    C74D C75D . 1.369(13) ?
    C74D H74D . 0.9500 ?
    C75D C76D . 1.377(8) ?
    C75D H75D . 0.9500 ?
    C76D H76D . 0.9500 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2A O1A C29A . . 117.8(3) ?
    C4A O2A C30A . . 113.8(3) ?
    C31A O4A C32A . . 115.9(5) ?
    C9A O5A C41A . . 118.0(3) ?
    C11A O6A C42A . . 115.7(3) ?
    C43A O8A C44A . . 117.3(3) ?
    C16A O9A C53A . . 118.8(3) ?
    C18A O10A C54A . . 118.6(3) ?
    C55A O12A C56A . . 116.3(4) ?
    C23A O13A C65A . . 118.6(3) ?
    C25A O14A C66A . . 114.9(3) ?
    C67A O16A C68A . . 116.0(4) ?
    C6A C1A C2A . . 117.5(3) ?
    C6A C1A C28A . . 120.8(3) ?
    C2A C1A C28A . . 121.6(3) ?
    O1A C2A C3A . . 124.3(3) ?
    O1A C2A C1A . . 115.5(3) ?
    C3A C2A C1A . . 120.2(3) ?
    C2A C3A C4A . . 120.4(3) ?
    C2A C3A H3A . . 119.8 ?
    C4A C3A H3A . . 119.8 ?
    C3A C4A C5A . . 121.6(3) ?
    C3A C4A O2A . . 118.0(3) ?
    C5A C4A O2A . . 120.3(3) ?
    C6A C5A C4A . . 116.2(3) ?
    C6A C5A C7A . . 120.9(3) ?
    C4A C5A C7A . . 122.6(3) ?
    C5A C6A C1A . . 123.9(3) ?
    C5A C6A H6A . . 118.1 ?
    C1A C6A H6A . . 118.1 ?
    C5A C7A C8A . . 112.0(3) ?
    C5A C7A C33A . . 106.3(3) ?
    C8A C7A C33A . . 113.3(3) ?
    C5A C7A H7A . . 108.4 ?
    C8A C7A H7A . . 108.4 ?
    C33A C7A H7A . . 108.4 ?
    C13A C8A C9A . . 117.1(3) ?
    C13A C8A C7A . . 123.8(3) ?
    C9A C8A C7A . . 119.1(3) ?
    O5A C9A C10A . . 123.0(3) ?
    O5A C9A C8A . . 115.7(3) ?
    C10A C9A C8A . . 121.3(3) ?
    C11A C10A C9A . . 119.3(3) ?
    C11A C10A H10A . . 120.3 ?
    C9A C10A H10A . . 120.3 ?
    C10A C11A C12A . . 122.1(3) ?
    C10A C11A O6A . . 120.1(3) ?
    C12A C11A O6A . . 117.7(3) ?
    C11A C12A C13A . . 116.6(3) ?
    C11A C12A C14A . . 119.5(3) ?
    C13A C12A C14A . . 123.8(3) ?
    C8A C13A C12A . . 123.4(3) ?
    C8A C13A H13A . . 118.3 ?
    C12A C13A H13A . . 118.3 ?
    C12A C14A C15A . . 110.8(3) ?
    C12A C14A C45A . . 113.5(3) ?
    C15A C14A C45A . . 110.7(3) ?
    C12A C14A H14A . . 107.2 ?
    C15A C14A H14A . . 107.2 ?
    C45A C14A H14A . . 107.2 ?
    C20A C15A C16A . . 116.8(3) ?
    C20A C15A C14A . . 121.9(3) ?
    C16A C15A C14A . . 121.3(3) ?
    O9A C16A C17A . . 122.8(3) ?
    O9A C16A C15A . . 116.1(3) ?
    C17A C16A C15A . . 121.1(3) ?
    C18A C17A C16A . . 119.9(3) ?
    C18A C17A H17A . . 120.0 ?
    C16A C17A H17A . . 120.0 ?
    O10A C18A C17A . . 123.7(3) ?
    O10A C18A C19A . . 115.3(3) ?
    C17A C18A C19A . . 121.0(3) ?
    C20A C19A C18A . . 117.1(3) ?
    C20A C19A C21A . . 121.3(3) ?
    C18A C19A C21A . . 121.5(3) ?
    C19A C20A C15A . . 124.0(3) ?
    C19A C20A H20A . . 118.0 ?
    C15A C20A H20A . . 118.0 ?
    C19A C21A C57A . . 111.1(3) ?
    C19A C21A C22A . . 110.3(3) ?
    C57A C21A C22A . . 112.7(3) ?
    C19A C21A H21A . . 107.5 ?
    C57A C21A H21A . . 107.5 ?
    C22A C21A H21A . . 107.5 ?
    C27A C22A C23A . . 117.5(3) ?
    C27A C22A C21A . . 123.2(3) ?
    C23A C22A C21A . . 119.2(3) ?
    O13A C23A C24A . . 124.0(3) ?
    O13A C23A C22A . . 115.3(3) ?
    C24A C23A C22A . . 120.7(3) ?
    C25A C24A C23A . . 119.7(3) ?
    C25A C24A H24A . . 120.2 ?
    C23A C24A H24A . . 120.2 ?
    O14A C25A C24A . . 121.9(3) ?
    O14A C25A C26A . . 116.3(3) ?
    C24A C25A C26A . . 121.8(3) ?
    C27A C26A C25A . . 116.7(3) ?
    C27A C26A C28A . . 123.7(3) ?
    C25A C26A C28A . . 119.6(3) ?
    C22A C27A C26A . . 123.6(3) ?
    C22A C27A H27A . . 118.2 ?
    C26A C27A H27A . . 118.2 ?
    C26A C28A C1A . . 110.5(3) ?
    C26A C28A C69A . . 114.9(3) ?
    C1A C28A C69A . . 108.6(3) ?
    C26A C28A H28A . . 107.5 ?
    C1A C28A H28A . . 107.5 ?
    C69A C28A H28A . . 107.5 ?
    O1A C29A H29A . . 109.5 ?
    O1A C29A H29B . . 109.5 ?
    H29A C29A H29B . . 109.5 ?
    O1A C29A H29C . . 109.5 ?
    H29A C29A H29C . . 109.5 ?
    H29B C29A H29C . . 109.5 ?
    O2A C30A C31A . . 112.5(3) ?
    O2A C30A H30A . . 109.1 ?
    C31A C30A H30A . . 109.1 ?
    O2A C30A H30B . . 109.1 ?
    C31A C30A H30B . . 109.1 ?
    H30A C30A H30B . . 107.8 ?
    O3A C31A O4A . . 124.5(4) ?
    O3A C31A C30A . . 126.9(4) ?
    O4A C31A C30A . . 108.6(4) ?
    O4A C32A H32A . . 109.5 ?
    O4A C32A H32B . . 109.5 ?
    H32A C32A H32B . . 109.5 ?
    O4A C32A H32C . . 109.5 ?
    H32A C32A H32C . . 109.5 ?
    H32B C32A H32C . . 109.5 ?
    C34A C33A C7A . . 116.0(3) ?
    C34A C33A H33A . . 108.3 ?
    C7A C33A H33A . . 108.3 ?
    C34A C33A H33B . . 108.3 ?
    C7A C33A H33B . . 108.3 ?
    H33A C33A H33B . . 107.4 ?
    C35A C34A C33A . . 110.8(3) ?
    C35A C34A H34A . . 109.5 ?
    C33A C34A H34A . . 109.5 ?
    C35A C34A H34B . . 109.5 ?
    C33A C34A H34B . . 109.5 ?
    H34A C34A H34B . . 108.1 ?
    C40A C35A C36A . . 117.8(3) ?
    C40A C35A C34A . . 121.1(3) ?
    C36A C35A C34A . . 121.0(3) ?
    C37A C36A C35A . . 121.1(4) ?
    C37A C36A H36A . . 119.5 ?
    C35A C36A H36A . . 119.5 ?
    C36A C37A C38A . . 120.3(4) ?
    C36A C37A H37A . . 119.9 ?
    C38A C37A H37A . . 119.9 ?
    C39A C38A C37A . . 119.6(4) ?
    C39A C38A H38A . . 120.2 ?
    C37A C38A H38A . . 120.2 ?
    C38A C39A C40A . . 120.4(4) ?
    C38A C39A H39A . . 119.8 ?
    C40A C39A H39A . . 119.8 ?
    C35A C40A C39A . . 120.9(4) ?
    C35A C40A H40A . . 119.6 ?
    C39A C40A H40A . . 119.6 ?
    O5A C41A H41A . . 109.5 ?
    O5A C41A H41B . . 109.5 ?
    H41A C41A H41B . . 109.5 ?
    O5A C41A H41C . . 109.5 ?
    H41A C41A H41C . . 109.5 ?
    H41B C41A H41C . . 109.5 ?
    O6A C42A C43A . . 109.6(3) ?
    O6A C42A H42A . . 109.8 ?
    C43A C42A H42A . . 109.8 ?
    O6A C42A H42B . . 109.8 ?
    C43A C42A H42B . . 109.8 ?
    H42A C42A H42B . . 108.2 ?
    O7A C43A O8A . . 124.7(4) ?
    O7A C43A C42A . . 121.6(4) ?
    O8A C43A C42A . . 113.7(3) ?
    O8A C44A H44A . . 109.5 ?
    O8A C44A H44B . . 109.5 ?
    H44A C44A H44B . . 109.5 ?
    O8A C44A H44C . . 109.5 ?
    H44A C44A H44C . . 109.5 ?
    H44B C44A H44C . . 109.5 ?
    C46A C45A C14A . . 111.7(3) ?
    C46A C45A H45A . . 109.3 ?
    C14A C45A H45A . . 109.3 ?
    C46A C45A H45B . . 109.3 ?
    C14A C45A H45B . . 109.3 ?
    H45A C45A H45B . . 107.9 ?
    C47A C46A C45A . . 112.1(3) ?
    C47A C46A H46A . . 109.2 ?
    C45A C46A H46A . . 109.2 ?
    C47A C46A H46B . . 109.2 ?
    C45A C46A H46B . . 109.2 ?
    H46A C46A H46B . . 107.9 ?
    C48A C47A C52A . . 116.8(4) ?
    C48A C47A C46A . . 122.3(5) ?
    C52A C47A C46A . . 120.9(4) ?
    C49A C48A C47A . . 120.9(5) ?
    C49A C48A H48A . . 119.6 ?
    C47A C48A H48A . . 119.6 ?
    C50A C49A C48A . . 120.5(5) ?
    C50A C49A H49A . . 119.7 ?
    C48A C49A H49A . . 119.7 ?
    C49A C50A C51A . . 119.8(5) ?
    C49A C50A H50A . . 120.1 ?
    C51A C50A H50A . . 120.1 ?
    C50A C51A C52A . . 119.8(6) ?
    C50A C51A H51A . . 120.1 ?
    C52A C51A H51A . . 120.1 ?
    C51A C52A C47A . . 122.2(5) ?
    C51A C52A H52A . . 118.9 ?
    C47A C52A H52A . . 118.9 ?
    O9A C53A H53A . . 109.5 ?
    O9A C53A H53B . . 109.5 ?
    H53A C53A H53B . . 109.5 ?
    O9A C53A H53C . . 109.5 ?
    H53A C53A H53C . . 109.5 ?
    H53B C53A H53C . . 109.5 ?
    O10A C54A C55A . . 110.0(3) ?
    O10A C54A H54A . . 109.7 ?
    C55A C54A H54A . . 109.7 ?
    O10A C54A H54B . . 109.7 ?
    C55A C54A H54B . . 109.7 ?
    H54A C54A H54B . . 108.2 ?
    O11A C55A O12A . . 122.9(5) ?
    O11A C55A C54A . . 124.7(4) ?
    O12A C55A C54A . . 112.3(4) ?
    O12A C56A H56A . . 109.5 ?
    O12A C56A H56B . . 109.5 ?
    H56A C56A H56B . . 109.5 ?
    O12A C56A H56C . . 109.5 ?
    H56A C56A H56C . . 109.5 ?
    H56B C56A H56C . . 109.5 ?
    C21A C57A C58A . . 113.5(3) ?
    C21A C57A H57A . . 108.9 ?
    C58A C57A H57A . . 108.9 ?
    C21A C57A H57B . . 108.9 ?
    C58A C57A H57B . . 108.9 ?
    H57A C57A H57B . . 107.7 ?
    C59A C58A C57A . . 112.3(3) ?
    C59A C58A H58A . . 109.2 ?
    C57A C58A H58A . . 109.2 ?
    C59A C58A H58B . . 109.2 ?
    C57A C58A H58B . . 109.2 ?
    H58A C58A H58B . . 107.9 ?
    C60A C59A C64A . . 117.5(4) ?
    C60A C59A C58A . . 121.2(4) ?
    C64A C59A C58A . . 121.3(4) ?
    C59A C60A C61A . . 121.7(5) ?
    C59A C60A H60A . . 119.2 ?
    C61A C60A H60A . . 119.2 ?
    C62A C61A C60A . . 119.6(5) ?
    C62A C61A H61A . . 120.2 ?
    C60A C61A H61A . . 120.2 ?
    C61A C62A C63A . . 120.2(5) ?
    C61A C62A H62A . . 119.9 ?
    C63A C62A H62A . . 119.9 ?
    C62A C63A C64A . . 120.9(5) ?
    C62A C63A H63A . . 119.5 ?
    C64A C63A H63A . . 119.5 ?
    C63A C64A C59A . . 120.1(5) ?
    C63A C64A H64A . . 120.0 ?
    C59A C64A H64A . . 120.0 ?
    O13A C65A H65A . . 109.5 ?
    O13A C65A H65B . . 109.5 ?
    H65A C65A H65B . . 109.5 ?
    O13A C65A H65C . . 109.5 ?
    H65A C65A H65C . . 109.5 ?
    H65B C65A H65C . . 109.5 ?
    O14A C66A C67A . . 112.0(3) ?
    O14A C66A H66A . . 109.2 ?
    C67A C66A H66A . . 109.2 ?
    O14A C66A H66B . . 109.2 ?
    C67A C66A H66B . . 109.2 ?
    H66A C66A H66B . . 107.9 ?
    O15A C67A O16A . . 125.0(4) ?
    O15A C67A C66A . . 121.1(4) ?
    O16A C67A C66A . . 113.9(4) ?
    O16A C68A H68A . . 109.5 ?
    O16A C68A H68B . . 109.5 ?
    H68A C68A H68B . . 109.5 ?
    O16A C68A H68C . . 109.5 ?
    H68A C68A H68C . . 109.5 ?
    H68B C68A H68C . . 109.5 ?
    C70A C69A C28A . . 115.9(3) ?
    C70A C69A H69A . . 108.3 ?
    C28A C69A H69A . . 108.3 ?
    C70A C69A H69B . . 108.3 ?
    C28A C69A H69B . . 108.3 ?
    H69A C69A H69B . . 107.4 ?
    C71A C70A C69A . . 111.7(3) ?
    C71A C70A H70A . . 109.3 ?
    C69A C70A H70A . . 109.3 ?
    C71A C70A H70B . . 109.3 ?
    C69A C70A H70B . . 109.3 ?
    H70A C70A H70B . . 107.9 ?
    C76A C71A C72A . . 118.1(4) ?
    C76A C71A C70A . . 121.7(4) ?
    C72A C71A C70A . . 120.1(4) ?
    C73A C72A C71A . . 121.0(4) ?
    C73A C72A H72A . . 119.5 ?
    C71A C72A H72A . . 119.5 ?
    C74A C73A C72A . . 119.8(5) ?
    C74A C73A H73A . . 120.1 ?
    C72A C73A H73A . . 120.1 ?
    C75A C74A C73A . . 120.3(4) ?
    C75A C74A H74A . . 119.8 ?
    C73A C74A H74A . . 119.8 ?
    C74A C75A C76A . . 119.7(4) ?
    C74A C75A H75A . . 120.2 ?
    C76A C75A H75A . . 120.2 ?
    C71A C76A C75A . . 121.1(4) ?
    C71A C76A H76A . . 119.4 ?
    C75A C76A H76A . . 119.4 ?
    C2B O1B C29B . . 118.2(3) ?
    C4B O2B C30B . . 117.7(3) ?
    C31B O4B C32B . . 115.7(4) ?
    C9B O5B C41B . . 118.1(3) ?
    C11B O6B C42B . . 112.8(3) ?
    C43B O8B C44B . . 115.2(5) ?
    C16B O9B C53B . . 117.5(3) ?
    C18B O10B C54B . . 113.4(3) ?
    C55B O12B C56B . . 113.7(6) ?
    C23B O13B C65B . . 117.3(3) ?
    C25B O14B C66B . . 115.6(3) ?
    C67B O16B C68B . . 116.7(3) ?
    C6B C1B C2B . . 117.5(3) ?
    C6B C1B C28B . . 121.3(3) ?
    C2B C1B C28B . . 121.2(3) ?
    O1B C2B C3B . . 123.0(3) ?
    O1B C2B C1B . . 115.7(3) ?
    C3B C2B C1B . . 121.3(3) ?
    C2B C3B C4B . . 119.2(3) ?
    C2B C3B H3B . . 120.4 ?
    C4B C3B H3B . . 120.4 ?
    O2B C4B C3B . . 122.8(3) ?
    O2B C4B C5B . . 116.0(3) ?
    C3B C4B C5B . . 121.2(3) ?
    C6B C5B C4B . . 117.1(3) ?
    C6B C5B C7B . . 122.0(3) ?
    C4B C5B C7B . . 120.8(3) ?
    C1B C6B C5B . . 123.7(3) ?
    C1B C6B H6B . . 118.2 ?
    C5B C6B H6B . . 118.2 ?
    C5B C7B C8B . . 110.8(3) ?
    C5B C7B C33B . . 111.9(3) ?
    C8B C7B C33B . . 112.9(3) ?
    C5B C7B H7B . . 106.9 ?
    C8B C7B H7B . . 106.9 ?
    C33B C7B H7B . . 106.9 ?
    C13B C8B C9B . . 117.8(3) ?
    C13B C8B C7B . . 123.2(3) ?
    C9B C8B C7B . . 119.1(3) ?
    O5B C9B C10B . . 124.4(3) ?
    O5B C9B C8B . . 115.5(3) ?
    C10B C9B C8B . . 120.1(3) ?
    C9B C10B C11B . . 120.1(3) ?
    C9B C10B H10B . . 119.9 ?
    C11B C10B H10B . . 119.9 ?
    O6B C11B C10B . . 120.2(3) ?
    O6B C11B C12B . . 117.8(3) ?
    C10B C11B C12B . . 122.0(3) ?
    C11B C12B C13B . . 116.1(3) ?
    C11B C12B C14B . . 120.2(3) ?
    C13B C12B C14B . . 123.7(3) ?
    C8B C13B C12B . . 123.9(3) ?
    C8B C13B H13B . . 118.0 ?
    C12B C13B H13B . . 118.0 ?
    C12B C14B C15B . . 110.7(3) ?
    C12B C14B C45B . . 115.2(3) ?
    C15B C14B C45B . . 107.7(3) ?
    C12B C14B H14B . . 107.6 ?
    C15B C14B H14B . . 107.6 ?
    C45B C14B H14B . . 107.6 ?
    C20B C15B C16B . . 118.1(3) ?
    C20B C15B C14B . . 121.0(3) ?
    C16B C15B C14B . . 120.7(3) ?
    O9B C16B C17B . . 123.9(3) ?
    O9B C16B C15B . . 116.1(3) ?
    C17B C16B C15B . . 120.0(3) ?
    C16B C17B C18B . . 120.1(3) ?
    C16B C17B H17B . . 119.9 ?
    C18B C17B H17B . . 119.9 ?
    C17B C18B C19B . . 121.5(3) ?
    C17B C18B O10B . . 118.0(3) ?
    C19B C18B O10B . . 120.4(3) ?
    C18B C19B C20B . . 116.5(3) ?
    C18B C19B C21B . . 122.7(3) ?
    C20B C19B C21B . . 120.5(3) ?
    C15B C20B C19B . . 123.7(3) ?
    C15B C20B H20B . . 118.1 ?
    C19B C20B H20B . . 118.1 ?
    C22B C21B C19B . . 112.0(3) ?
    C22B C21B C57B . . 114.2(3) ?
    C19B C21B C57B . . 107.7(3) ?
    C22B C21B H21B . . 107.6 ?
    C19B C21B H21B . . 107.6 ?
    C57B C21B H21B . . 107.6 ?
    C27B C22B C23B . . 116.7(3) ?
    C27B C22B C21B . . 123.2(3) ?
    C23B C22B C21B . . 120.1(3) ?
    O13B C23B C24B . . 123.5(3) ?
    O13B C23B C22B . . 115.4(3) ?
    C24B C23B C22B . . 121.0(3) ?
    C25B C24B C23B . . 120.1(3) ?
    C25B C24B H24B . . 120.0 ?
    C23B C24B H24B . . 120.0 ?
    C24B C25B C26B . . 121.2(3) ?
    C24B C25B O14B . . 120.5(3) ?
    C26B C25B O14B . . 118.0(3) ?
    C27B C26B C25B . . 117.4(3) ?
    C27B C26B C28B . . 123.3(3) ?
    C25B C26B C28B . . 119.3(3) ?
    C26B C27B C22B . . 123.4(3) ?
    C26B C27B H27B . . 118.3 ?
    C22B C27B H27B . . 118.3 ?
    C26B C28B C69B . . 114.1(3) ?
    C26B C28B C1B . . 111.1(3) ?
    C69B C28B C1B . . 111.0(3) ?
    C26B C28B H28B . . 106.7 ?
    C69B C28B H28B . . 106.7 ?
    C1B C28B H28B . . 106.7 ?
    O1B C29B H29D . . 109.5 ?
    O1B C29B H29E . . 109.5 ?
    H29D C29B H29E . . 109.5 ?
    O1B C29B H29F . . 109.5 ?
    H29D C29B H29F . . 109.5 ?
    H29E C29B H29F . . 109.5 ?
    O2B C30B C31B . . 110.6(3) ?
    O2B C30B H30C . . 109.5 ?
    C31B C30B H30C . . 109.5 ?
    O2B C30B H30D . . 109.5 ?
    C31B C30B H30D . . 109.5 ?
    H30C C30B H30D . . 108.1 ?
    O3B C31B O4B . . 123.5(4) ?
    O3B C31B C30B . . 125.3(4) ?
    O4B C31B C30B . . 111.1(4) ?
    O4B C32B H32D . . 109.5 ?
    O4B C32B H32E . . 109.5 ?
    H32D C32B H32E . . 109.5 ?
    O4B C32B H32F . . 109.5 ?
    H32D C32B H32F . . 109.5 ?
    H32E C32B H32F . . 109.5 ?
    C7B C33B C34B . . 112.7(3) ?
    C7B C33B H33C . . 109.0 ?
    C34B C33B H33C . . 109.0 ?
    C7B C33B H33D . . 109.0 ?
    C34B C33B H33D . . 109.0 ?
    H33C C33B H33D . . 107.8 ?
    C35B C34B C33B . . 111.7(3) ?
    C35B C34B H34C . . 109.3 ?
    C33B C34B H34C . . 109.3 ?
    C35B C34B H34D . . 109.3 ?
    C33B C34B H34D . . 109.3 ?
    H34C C34B H34D . . 107.9 ?
    C36B C35B C40B . . 117.4(4) ?
    C36B C35B C34B . . 121.5(4) ?
    C40B C35B C34B . . 121.1(4) ?
    C35B C36B C37B . . 121.8(4) ?
    C35B C36B H36B . . 119.1 ?
    C37B C36B H36B . . 119.1 ?
    C38B C37B C36B . . 120.1(4) ?
    C38B C37B H37B . . 120.0 ?
    C36B C37B H37B . . 120.0 ?
    C39B C38B C37B . . 118.8(4) ?
    C39B C38B H38B . . 120.6 ?
    C37B C38B H38B . . 120.6 ?
    C38B C39B C40B . . 120.6(4) ?
    C38B C39B H39B . . 119.7 ?
    C40B C39B H39B . . 119.7 ?
    C39B C40B C35B . . 121.3(4) ?
    C39B C40B H40B . . 119.4 ?
    C35B C40B H40B . . 119.4 ?
    O5B C41B H41D . . 109.5 ?
    O5B C41B H41E . . 109.5 ?
    H41D C41B H41E . . 109.5 ?
    O5B C41B H41F . . 109.5 ?
    H41D C41B H41F . . 109.5 ?
    H41E C41B H41F . . 109.5 ?
    O6B C42B C43B . . 111.3(4) ?
    O6B C42B H42C . . 109.4 ?
    C43B C42B H42C . . 109.4 ?
    O6B C42B H42D . . 109.4 ?
    C43B C42B H42D . . 109.4 ?
    H42C C42B H42D . . 108.0 ?
    O7B C43B O8B . . 123.5(5) ?
    O7B C43B C42B . . 121.3(5) ?
    O8B C43B C42B . . 115.2(5) ?
    O8B C44B H44D . . 109.5 ?
    O8B C44B H44E . . 109.5 ?
    H44D C44B H44E . . 109.5 ?
    O8B C44B H44F . . 109.5 ?
    H44D C44B H44F . . 109.5 ?
    H44E C44B H44F . . 109.5 ?
    C14B C45B C46B . . 115.6(3) ?
    C14B C45B H45C . . 108.4 ?
    C46B C45B H45C . . 108.4 ?
    C14B C45B H45D . . 108.4 ?
    C46B C45B H45D . . 108.4 ?
    H45C C45B H45D . . 107.4 ?
    C47B C46B C45B . . 111.8(3) ?
    C47B C46B H46C . . 109.2 ?
    C45B C46B H46C . . 109.2 ?
    C47B C46B H46D . . 109.2 ?
    C45B C46B H46D . . 109.2 ?
    H46C C46B H46D . . 107.9 ?
    C52B C47B C48B . . 117.6(4) ?
    C52B C47B C46B . . 120.8(3) ?
    C48B C47B C46B . . 121.6(4) ?
    C47B C48B C49B . . 120.9(5) ?
    C47B C48B H48B . . 119.5 ?
    C49B C48B H48B . . 119.5 ?
    C50B C49B C48B . . 121.1(5) ?
    C50B C49B H49B . . 119.5 ?
    C48B C49B H49B . . 119.5 ?
    C49B C50B C51B . . 119.3(5) ?
    C49B C50B H50B . . 120.3 ?
    C51B C50B H50B . . 120.3 ?
    C52B C51B C50B . . 119.0(5) ?
    C52B C51B H51B . . 120.5 ?
    C50B C51B H51B . . 120.5 ?
    C47B C52B C51B . . 122.1(4) ?
    C47B C52B H52B . . 118.9 ?
    C51B C52B H52B . . 118.9 ?
    O9B C53B H53D . . 109.5 ?
    O9B C53B H53E . . 109.5 ?
    H53D C53B H53E . . 109.5 ?
    O9B C53B H53F . . 109.5 ?
    H53D C53B H53F . . 109.5 ?
    H53E C53B H53F . . 109.5 ?
    O10B C54B C55B . . 111.8(4) ?
    O10B C54B H54C . . 109.3 ?
    C55B C54B H54C . . 109.3 ?
    O10B C54B H54D . . 109.3 ?
    C55B C54B H54D . . 109.3 ?
    H54C C54B H54D . . 107.9 ?
    O11B C55B O12B . . 125.6(5) ?
    O11B C55B C54B . . 126.4(5) ?
    O12B C55B C54B . . 108.0(4) ?
    O12B C56B H56D . . 109.5 ?
    O12B C56B H56E . . 109.5 ?
    H56D C56B H56E . . 109.5 ?
    O12B C56B H56F . . 109.5 ?
    H56D C56B H56F . . 109.5 ?
    H56E C56B H56F . . 109.5 ?
    C58B C57B C21B . . 116.2(3) ?
    C58B C57B H57C . . 108.2 ?
    C21B C57B H57C . . 108.2 ?
    C58B C57B H57D . . 108.2 ?
    C21B C57B H57D . . 108.2 ?
    H57C C57B H57D . . 107.4 ?
    C59B C58B C57B . . 111.4(3) ?
    C59B C58B H58C . . 109.4 ?
    C57B C58B H58C . . 109.4 ?
    C59B C58B H58D . . 109.4 ?
    C57B C58B H58D . . 109.4 ?
    H58C C58B H58D . . 108.0 ?
    C64B C59B C60B . . 117.3(3) ?
    C64B C59B C58B . . 121.4(3) ?
    C60B C59B C58B . . 121.2(3) ?
    C61B C60B C59B . . 121.1(4) ?
    C61B C60B H60B . . 119.5 ?
    C59B C60B H60B . . 119.5 ?
    C62B C61B C60B . . 120.1(4) ?
    C62B C61B H61B . . 119.9 ?
    C60B C61B H61B . . 119.9 ?
    C63B C62B C61B . . 120.0(4) ?
    C63B C62B H62B . . 120.0 ?
    C61B C62B H62B . . 120.0 ?
    C62B C63B C64B . . 119.6(4) ?
    C62B C63B H63B . . 120.2 ?
    C64B C63B H63B . . 120.2 ?
    C59B C64B C63B . . 121.8(4) ?
    C59B C64B H64B . . 119.1 ?
    C63B C64B H64B . . 119.1 ?
    O13B C65B H65D . . 109.5 ?
    O13B C65B H65E . . 109.5 ?
    H65D C65B H65E . . 109.5 ?
    O13B C65B H65F . . 109.5 ?
    H65D C65B H65F . . 109.5 ?
    H65E C65B H65F . . 109.5 ?
    O14B C66B C67B . . 109.8(3) ?
    O14B C66B H66C . . 109.7 ?
    C67B C66B H66C . . 109.7 ?
    O14B C66B H66D . . 109.7 ?
    C67B C66B H66D . . 109.7 ?
    H66C C66B H66D . . 108.2 ?
    O15B C67B O16B . . 125.0(4) ?
    O15B C67B C66B . . 122.5(4) ?
    O16B C67B C66B . . 112.5(3) ?
    O16B C68B H68D . . 109.5 ?
    O16B C68B H68E . . 109.5 ?
    H68D C68B H68E . . 109.5 ?
    O16B C68B H68F . . 109.5 ?
    H68D C68B H68F . . 109.5 ?
    H68E C68B H68F . . 109.5 ?
    C28B C69B C70B . . 111.7(3) ?
    C28B C69B H69C . . 109.3 ?
    C70B C69B H69C . . 109.3 ?
    C28B C69B H69D . . 109.3 ?
    C70B C69B H69D . . 109.3 ?
    H69C C69B H69D . . 107.9 ?
    C71B C70B C69B . . 112.8(3) ?
    C71B C70B H70C . . 109.0 ?
    C69B C70B H70C . . 109.0 ?
    C71B C70B H70D . . 109.0 ?
    C69B C70B H70D . . 109.0 ?
    H70C C70B H70D . . 107.8 ?
    C76B C71B C72B . . 118.5(4) ?
    C76B C71B C70B . . 122.0(5) ?
    C72B C71B C70B . . 119.6(4) ?
    C73B C72B C71B . . 120.6(5) ?
    C73B C72B H72B . . 119.7 ?
    C71B C72B H72B . . 119.7 ?
    C74B C73B C72B . . 120.1(6) ?
    C74B C73B H73B . . 119.9 ?
    C72B C73B H73B . . 119.9 ?
    C73B C74B C75B . . 120.7(5) ?
    C73B C74B H74B . . 119.6 ?
    C75B C74B H74B . . 119.6 ?
    C74B C75B C76B . . 119.7(5) ?
    C74B C75B H75B . . 120.1 ?
    C76B C75B H75B . . 120.1 ?
    C71B C76B C75B . . 120.3(6) ?
    C71B C76B H76B . . 119.9 ?
    C75B C76B H76B . . 119.9 ?
    C2C O1C C29C . . 116.0(3) ?
    C4C O2C C30C . . 112.2(3) ?
    C31C O4C C32C . . 114.4(5) ?
    C9C O5C C41C . . 117.2(3) ?
    C11C O6C C42C . . 114.8(3) ?
    C43C O8C C44C . . 117.2(4) ?
    C16C O9C C53C . . 118.9(3) ?
    C55C C54C O10C . . 119.4(5) ?
    C55C C54C H54E . . 107.5 ?
    O10C C54C H54E . . 107.5 ?
    C55C C54C H54F . . 107.5 ?
    O10C C54C H54F . . 107.5 ?
    H54E C54C H54F . . 107.0 ?
    C55C O12C C56C . . 117.1(6) ?
    C23C O13C C65C . . 118.0(3) ?
    C25C O14C C66C . . 113.9(3) ?
    C67C O16C C68C . . 115.5(4) ?
    C6C C1C C2C . . 117.9(3) ?
    C6C C1C C28C . . 120.8(3) ?
    C2C C1C C28C . . 121.2(3) ?
    C3C C2C O1C . . 123.8(3) ?
    C3C C2C C1C . . 120.5(3) ?
    O1C C2C C1C . . 115.7(3) ?
    C2C C3C C4C . . 120.1(3) ?
    C2C C3C H3C . . 120.0 ?
    C4C C3C H3C . . 120.0 ?
    C3C C4C O2C . . 118.3(3) ?
    C3C C4C C5C . . 121.2(3) ?
    O2C C4C C5C . . 120.5(3) ?
    C6C C5C C4C . . 117.3(3) ?
    C6C C5C C7C . . 120.9(3) ?
    C4C C5C C7C . . 121.8(3) ?
    C5C C6C C1C . . 123.0(3) ?
    C5C C6C H6C . . 118.5 ?
    C1C C6C H6C . . 118.5 ?
    C8C C7C C33C . . 114.9(3) ?
    C8C C7C C5C . . 111.1(3) ?
    C33C C7C C5C . . 108.2(3) ?
    C8C C7C H7C . . 107.5 ?
    C33C C7C H7C . . 107.5 ?
    C5C C7C H7C . . 107.5 ?
    C13C C8C C9C . . 116.6(3) ?
    C13C C8C C7C . . 123.2(3) ?
    C9C C8C C7C . . 120.2(3) ?
    O5C C9C C10C . . 123.3(3) ?
    O5C C9C C8C . . 115.6(3) ?
    C10C C9C C8C . . 121.1(3) ?
    C9C C10C C11C . . 120.2(3) ?
    C9C C10C H10C . . 119.9 ?
    C11C C10C H10C . . 119.9 ?
    O6C C11C C10C . . 120.8(3) ?
    O6C C11C C12C . . 118.1(3) ?
    C10C C11C C12C . . 121.0(3) ?
    C11C C12C C13C . . 117.1(3) ?
    C11C C12C C14C . . 119.3(3) ?
    C13C C12C C14C . . 123.6(3) ?
    C8C C13C C12C . . 123.9(3) ?
    C8C C13C H13C . . 118.0 ?
    C12C C13C H13C . . 118.0 ?
    C15C C14C C12C . . 109.6(3) ?
    C15C C14C C45C . . 111.7(3) ?
    C12C C14C C45C . . 113.9(3) ?
    C15C C14C H14C . . 107.1 ?
    C12C C14C H14C . . 107.1 ?
    C45C C14C H14C . . 107.1 ?
    C16C C15C C20C . . 117.1(3) ?
    C16C C15C C14C . . 121.9(3) ?
    C20C C15C C14C . . 120.9(3) ?
    O9C C16C C17C . . 122.7(3) ?
    O9C C16C C15C . . 116.0(3) ?
    C17C C16C C15C . . 121.3(3) ?
    C16C C17C C18C . . 119.5(3) ?
    C16C C17C H17C . . 120.2 ?
    C18C C17C H17C . . 120.2 ?
    O10C C18C C17C . . 121.7(3) ?
    O10C C18C C19C . . 116.8(3) ?
    C17C C18C C19C . . 121.5(3) ?
    C20C C19C C18C . . 116.8(3) ?
    C20C C19C C21C . . 120.9(3) ?
    C18C C19C C21C . . 122.3(3) ?
    C19C C20C C15C . . 123.7(3) ?
    C19C C20C H20C . . 118.1 ?
    C15C C20C H20C . . 118.1 ?
    C19C C21C C22C . . 112.2(3) ?
    C19C C21C C57C . . 110.2(3) ?
    C22C C21C C57C . . 112.6(3) ?
    C19C C21C H21C . . 107.2 ?
    C22C C21C H21C . . 107.2 ?
    C57C C21C H21C . . 107.2 ?
    C27C C22C C23C . . 116.9(3) ?
    C27C C22C C21C . . 122.6(3) ?
    C23C C22C C21C . . 120.4(3) ?
    O13C C23C C24C . . 123.3(3) ?
    O13C C23C C22C . . 115.5(3) ?
    C24C C23C C22C . . 121.2(3) ?
    C25C C24C C23C . . 119.2(3) ?
    C25C C24C H24C . . 120.4 ?
    C23C C24C H24C . . 120.4 ?
    C24C C25C C26C . . 122.4(3) ?
    C24C C25C O14C . . 120.8(3) ?
    C26C C25C O14C . . 116.7(3) ?
    C25C C26C C27C . . 116.1(3) ?
    C25C C26C C28C . . 120.3(3) ?
    C27C C26C C28C . . 123.6(3) ?
    C22C C27C C26C . . 124.1(3) ?
    C22C C27C H27C . . 117.9 ?
    C26C C27C H27C . . 118.0 ?
    C1C C28C C26C . . 110.9(3) ?
    C1C C28C C69C . . 107.3(3) ?
    C26C C28C C69C . . 114.8(3) ?
    C1C C28C H28C . . 107.8 ?
    C26C C28C H28C . . 107.8 ?
    C69C C28C H28C . . 107.8 ?
    O1C C29C H29G . . 109.5 ?
    O1C C29C H29H . . 109.5 ?
    H29G C29C H29H . . 109.5 ?
    O1C C29C H29I . . 109.5 ?
    H29G C29C H29I . . 109.5 ?
    H29H C29C H29I . . 109.5 ?
    O2C C30C C31C . . 111.5(3) ?
    O2C C30C H30E . . 109.3 ?
    C31C C30C H30E . . 109.3 ?
    O2C C30C H30F . . 109.3 ?
    C31C C30C H30F . . 109.3 ?
    H30E C30C H30F . . 108.0 ?
    O3C C31C O4C . . 125.7(4) ?
    O3C C31C C30C . . 127.0(5) ?
    O4C C31C C30C . . 107.3(4) ?
    O4C C32C H32G . . 109.5 ?
    O4C C32C H32H . . 109.5 ?
    H32G C32C H32H . . 109.5 ?
    O4C C32C H32I . . 109.5 ?
    H32G C32C H32I . . 109.5 ?
    H32H C32C H32I . . 109.5 ?
    C7C C33C C34C . . 115.3(3) ?
    C7C C33C H33E . . 108.4 ?
    C34C C33C H33E . . 108.4 ?
    C7C C33C H33F . . 108.4 ?
    C34C C33C H33F . . 108.4 ?
    H33E C33C H33F . . 107.5 ?
    C35C C34C C33C . . 112.0(3) ?
    C35C C34C H34E . . 109.2 ?
    C33C C34C H34E . . 109.2 ?
    C35C C34C H34F . . 109.2 ?
    C33C C34C H34F . . 109.2 ?
    H34E C34C H34F . . 107.9 ?
    C40C C35C C36C . . 118.1(4) ?
    C40C C35C C34C . . 120.6(4) ?
    C36C C35C C34C . . 121.3(4) ?
    C35C C36C C37C . . 120.5(4) ?
    C35C C36C H36C . . 119.8 ?
    C37C C36C H36C . . 119.8 ?
    C38C C37C C36C . . 120.9(4) ?
    C38C C37C H37C . . 119.6 ?
    C36C C37C H37C . . 119.6 ?
    C37C C38C C39C . . 119.4(4) ?
    C37C C38C H38C . . 120.3 ?
    C39C C38C H38C . . 120.3 ?
    C38C C39C C40C . . 120.0(4) ?
    C38C C39C H39C . . 120.0 ?
    C40C C39C H39C . . 120.0 ?
    C35C C40C C39C . . 121.2(4) ?
    C35C C40C H40C . . 119.4 ?
    C39C C40C H40C . . 119.4 ?
    O5C C41C H41G . . 109.5 ?
    O5C C41C H41H . . 109.5 ?
    H41G C41C H41H . . 109.5 ?
    O5C C41C H41I . . 109.5 ?
    H41G C41C H41I . . 109.5 ?
    H41H C41C H41I . . 109.5 ?
    O6C C42C C43C . . 110.4(3) ?
    O6C C42C H42E . . 109.6 ?
    C43C C42C H42E . . 109.6 ?
    O6C C42C H42F . . 109.6 ?
    C43C C42C H42F . . 109.6 ?
    H42E C42C H42F . . 108.1 ?
    O7C C43C O8C . . 124.2(4) ?
    O7C C43C C42C . . 122.6(5) ?
    O8C C43C C42C . . 113.2(3) ?
    O8C C44C H44G . . 109.5 ?
    O8C C44C H44H . . 109.5 ?
    H44G C44C H44H . . 109.5 ?
    O8C C44C H44I . . 109.5 ?
    H44G C44C H44I . . 109.5 ?
    H44H C44C H44I . . 109.5 ?
    C46C C45C C14C . . 112.6(3) ?
    C46C C45C H45E . . 109.1 ?
    C14C C45C H45E . . 109.1 ?
    C46C C45C H45F . . 109.1 ?
    C14C C45C H45F . . 109.1 ?
    H45E C45C H45F . . 107.8 ?
    C47C C46C C45C . . 112.4(3) ?
    C47C C46C H46E . . 109.1 ?
    C45C C46C H46E . . 109.1 ?
    C47C C46C H46F . . 109.1 ?
    C45C C46C H46F . . 109.1 ?
    H46E C46C H46F . . 107.8 ?
    C52C C47C C48C . . 118.2(4) ?
    C52C C47C C46C . . 121.3(5) ?
    C48C C47C C46C . . 120.5(4) ?
    C49C C48C C47C . . 121.0(5) ?
    C49C C48C H48C . . 119.5 ?
    C47C C48C H48C . . 119.5 ?
    C48C C49C C50C . . 119.8(6) ?
    C48C C49C H49C . . 120.1 ?
    C50C C49C H49C . . 120.1 ?
    C51C C50C C49C . . 120.2(5) ?
    C51C C50C H50C . . 119.9 ?
    C49C C50C H50C . . 119.9 ?
    C50C C51C C52C . . 119.8(5) ?
    C50C C51C H51C . . 120.1 ?
    C52C C51C H51C . . 120.1 ?
    C47C C52C C51C . . 121.0(5) ?
    C47C C52C H52C . . 119.5 ?
    C51C C52C H52C . . 119.5 ?
    O9C C53C H53G . . 109.5 ?
    O9C C53C H53H . . 109.5 ?
    H53G C53C H53H . . 109.5 ?
    O9C C53C H53I . . 109.5 ?
    H53G C53C H53I . . 109.5 ?
    H53H C53C H53I . . 109.5 ?
    C18C O10C C54C . . 116.6(3) ?
    O11C C55C O12C . . 123.4(7) ?
    O11C C55C C54C . . 123.4(8) ?
    O12C C55C C54C . . 113.3(5) ?
    O12C C56C H56G . . 109.5 ?
    O12C C56C H56H . . 109.5 ?
    H56G C56C H56H . . 109.5 ?
    O12C C56C H56I . . 109.5 ?
    H56G C56C H56I . . 109.5 ?
    H56H C56C H56I . . 109.5 ?
    C58C C57C C21C . . 113.4(3) ?
    C58C C57C H57E . . 108.9 ?
    C21C C57C H57E . . 108.9 ?
    C58C C57C H57F . . 108.9 ?
    C21C C57C H57F . . 108.9 ?
    H57E C57C H57F . . 107.7 ?
    C59C C58C C57C . . 114.0(3) ?
    C59C C58C H58E . . 108.8 ?
    C57C C58C H58E . . 108.8 ?
    C59C C58C H58F . . 108.8 ?
    C57C C58C H58F . . 108.8 ?
    H58E C58C H58F . . 107.6 ?
    C60C C59C C64C . . 117.4(5) ?
    C60C C59C C58C . . 122.4(4) ?
    C64C C59C C58C . . 120.2(5) ?
    C59C C60C C61C . . 122.1(5) ?
    C59C C60C H60C . . 118.9 ?
    C61C C60C H60C . . 118.9 ?
    C62C C61C C60C . . 119.7(6) ?
    C62C C61C H61C . . 120.2 ?
    C60C C61C H61C . . 120.2 ?
    C61C C62C C63C . . 119.0(6) ?
    C61C C62C H62C . . 120.5 ?
    C63C C62C H62C . . 120.5 ?
    C64C C63C C62C . . 121.1(5) ?
    C64C C63C H63C . . 119.5 ?
    C62C C63C H63C . . 119.5 ?
    C63C C64C C59C . . 120.8(6) ?
    C63C C64C H64C . . 119.6 ?
    C59C C64C H64C . . 119.6 ?
    O13C C65C H65G . . 109.5 ?
    O13C C65C H65H . . 109.5 ?
    H65G C65C H65H . . 109.5 ?
    O13C C65C H65I . . 109.5 ?
    H65G C65C H65I . . 109.5 ?
    H65H C65C H65I . . 109.5 ?
    O14C C66C C67C . . 113.8(4) ?
    O14C C66C H66E . . 108.8 ?
    C67C C66C H66E . . 108.8 ?
    O14C C66C H66F . . 108.8 ?
    C67C C66C H66F . . 108.8 ?
    H66E C66C H66F . . 107.7 ?
    O15C C67C O16C . . 123.7(4) ?
    O15C C67C C66C . . 120.3(5) ?
    O16C C67C C66C . . 115.9(4) ?
    O16C C68C H68G . . 109.5 ?
    O16C C68C H68H . . 109.5 ?
    H68G C68C H68H . . 109.5 ?
    O16C C68C H68I . . 109.5 ?
    H68G C68C H68I . . 109.5 ?
    H68H C68C H68I . . 109.5 ?
    C70C C69C C28C . . 116.7(3) ?
    C70C C69C H69E . . 108.1 ?
    C28C C69C H69E . . 108.1 ?
    C70C C69C H69F . . 108.1 ?
    C28C C69C H69F . . 108.1 ?
    H69E C69C H69F . . 107.3 ?
    C71C C70C C69C . . 108.8(3) ?
    C71C C70C H70E . . 109.9 ?
    C69C C70C H70E . . 109.9 ?
    C71C C70C H70F . . 109.9 ?
    C69C C70C H70F . . 109.9 ?
    H70E C70C H70F . . 108.3 ?
    C72C C71C C76C . . 119.5(5) ?
    C72C C71C C70C . . 120.7(4) ?
    C76C C71C C70C . . 119.6(5) ?
    C73C C72C C71C . . 121.7(6) ?
    C73C C72C H72C . . 119.1 ?
    C71C C72C H72C . . 119.1 ?
    C72C C73C C74C . . 118.2(7) ?
    C72C C73C H73C . . 120.9 ?
    C74C C73C H73C . . 120.9 ?
    C73C C74C C75C . . 121.6(6) ?
    C73C C74C H74C . . 119.2 ?
    C75C C74C H74C . . 119.2 ?
    C76C C75C C74C . . 119.0(7) ?
    C76C C75C H75C . . 120.5 ?
    C74C C75C H75C . . 120.5 ?
    C71C C76C C75C . . 119.9(7) ?
    C71C C76C H76C . . 120.1 ?
    C75C C76C H76C . . 120.1 ?
    C2D O1D C29D . . 116.6(3) ?
    C4D O2D C30D . . 112.2(3) ?
    C31D O4D C32D . . 117.0(5) ?
    C9D O5D C41D . . 117.9(3) ?
    C11D O6D C42D . . 114.7(3) ?
    C43D O8D C44D . . 117.4(3) ?
    C16D O9D C53D . . 118.1(4) ?
    C18D O10D C54D . . 117.8(4) ?
    C55D O12D C56D . . 116.4(5) ?
    C23D O13D C65D . . 118.3(3) ?
    C25D O14D C66D . . 117.1(3) ?
    C67D O16D C68D . . 115.4(3) ?
    C6D C1D C2D . . 117.7(3) ?
    C6D C1D C28D . . 121.4(3) ?
    C2D C1D C28D . . 120.9(3) ?
    O1D C2D C3D . . 123.6(3) ?
    O1D C2D C1D . . 116.2(3) ?
    C3D C2D C1D . . 120.2(3) ?
    C2D C3D C4D . . 120.0(3) ?
    C2D C3D H3D . . 120.0 ?
    C4D C3D H3D . . 120.0 ?
    C3D C4D O2D . . 117.8(3) ?
    C3D C4D C5D . . 121.9(3) ?
    O2D C4D C5D . . 120.2(3) ?
    C6D C5D C4D . . 116.2(3) ?
    C6D C5D C7D . . 121.5(3) ?
    C4D C5D C7D . . 122.1(3) ?
    C1D C6D C5D . . 124.0(3) ?
    C1D C6D H6D . . 118.0 ?
    C5D C6D H6D . . 118.0 ?
    C5D C7D C8D . . 111.3(3) ?
    C5D C7D C33D . . 108.9(3) ?
    C8D C7D C33D . . 114.3(3) ?
    C5D C7D H7D . . 107.3 ?
    C8D C7D H7D . . 107.3 ?
    C33D C7D H7D . . 107.3 ?
    C9D C8D C13D . . 117.3(3) ?
    C9D C8D C7D . . 119.8(3) ?
    C13D C8D C7D . . 122.9(3) ?
    O5D C9D C10D . . 122.7(3) ?
    O5D C9D C8D . . 116.0(3) ?
    C10D C9D C8D . . 121.3(3) ?
    C11D C10D C9D . . 119.2(3) ?
    C11D C10D H10D . . 120.4 ?
    C9D C10D H10D . . 120.4 ?
    C12D C11D C10D . . 121.9(3) ?
    C12D C11D O6D . . 118.3(3) ?
    C10D C11D O6D . . 119.7(3) ?
    C11D C12D C13D . . 117.5(3) ?
    C11D C12D C14D . . 119.6(3) ?
    C13D C12D C14D . . 122.9(3) ?
    C12D C13D C8D . . 122.7(3) ?
    C12D C13D H13D . . 118.6 ?
    C8D C13D H13D . . 118.6 ?
    C15D C14D C45D . . 113.3(3) ?
    C15D C14D C12D . . 108.7(3) ?
    C45D C14D C12D . . 113.4(3) ?
    C15D C14D H14D . . 107.0 ?
    C45D C14D H14D . . 107.0 ?
    C12D C14D H14D . . 107.0 ?
    C20D C15D C16D . . 117.2(3) ?
    C20D C15D C14D . . 121.2(3) ?
    C16D C15D C14D . . 121.5(3) ?
    O9D C16D C17D . . 123.5(3) ?
    O9D C16D C15D . . 115.9(3) ?
    C17D C16D C15D . . 120.7(3) ?
    C16D C17D C18D . . 119.5(3) ?
    C16D C17D H17D . . 120.2 ?
    C18D C17D H17D . . 120.2 ?
    O10D C18D C19D . . 116.2(3) ?
    O10D C18D C17D . . 122.3(3) ?
    C19D C18D C17D . . 121.5(3) ?
    C20D C19D C18D . . 116.9(3) ?
    C20D C19D C21D . . 121.4(3) ?
    C18D C19D C21D . . 121.7(3) ?
    C19D C20D C15D . . 124.2(3) ?
    C19D C20D H20D . . 117.9 ?
    C15D C20D H20D . . 117.9 ?
    C22D C21D C19D . . 111.6(3) ?
    C22D C21D C57D . . 113.2(3) ?
    C19D C21D C57D . . 110.2(3) ?
    C22D C21D H21D . . 107.2 ?
    C19D C21D H21D . . 107.2 ?
    C57D C21D H21D . . 107.2 ?
    C27D C22D C23D . . 116.9(3) ?
    C27D C22D C21D . . 122.9(3) ?
    C23D C22D C21D . . 120.3(3) ?
    O13D C23D C24D . . 122.5(3) ?
    O13D C23D C22D . . 116.2(3) ?
    C24D C23D C22D . . 121.3(3) ?
    C25D C24D C23D . . 119.6(3) ?
    C25D C24D H24D . . 120.2 ?
    C23D C24D H24D . . 120.2 ?
    O14D C25D C24D . . 122.5(3) ?
    O14D C25D C26D . . 116.2(3) ?
    C24D C25D C26D . . 121.2(3) ?
    C27D C26D C25D . . 117.1(3) ?
    C27D C26D C28D . . 123.4(3) ?
    C25D C26D C28D . . 119.5(3) ?
    C22D C27D C26D . . 123.8(3) ?
    C22D C27D H27D . . 118.1 ?
    C26D C27D H27D . . 118.1 ?
    C1D C28D C26D . . 109.0(3) ?
    C1D C28D C69D . . 107.8(3) ?
    C26D C28D C69D . . 115.3(3) ?
    C1D C28D H28D . . 108.2 ?
    C26D C28D H28D . . 108.2 ?
    C69D C28D H28D . . 108.2 ?
    O1D C29D H29J . . 109.5 ?
    O1D C29D H29K . . 109.5 ?
    H29J C29D H29K . . 109.5 ?
    O1D C29D H29L . . 109.5 ?
    H29J C29D H29L . . 109.5 ?
    H29K C29D H29L . . 109.5 ?
    O2D C30D C31D . . 111.9(3) ?
    O2D C30D H30G . . 109.2 ?
    C31D C30D H30G . . 109.2 ?
    O2D C30D H30H . . 109.2 ?
    C31D C30D H30H . . 109.2 ?
    H30G C30D H30H . . 107.9 ?
    O3D C31D O4D . . 124.2(4) ?
    O3D C31D C30D . . 126.9(4) ?
    O4D C31D C30D . . 108.9(4) ?
    O4D C32D H32J . . 109.5 ?
    O4D C32D H32K . . 109.5 ?
    H32J C32D H32K . . 109.5 ?
    O4D C32D H32L . . 109.5 ?
    H32J C32D H32L . . 109.5 ?
    H32K C32D H32L . . 109.5 ?
    C34D C33D C7D . . 115.6(3) ?
    C34D C33D H33G . . 108.4 ?
    C7D C33D H33G . . 108.4 ?
    C34D C33D H33H . . 108.4 ?
    C7D C33D H33H . . 108.4 ?
    H33G C33D H33H . . 107.4 ?
    C35D C34D C33D . . 111.1(3) ?
    C35D C34D H34G . . 109.4 ?
    C33D C34D H34G . . 109.4 ?
    C35D C34D H34H . . 109.4 ?
    C33D C34D H34H . . 109.4 ?
    H34G C34D H34H . . 108.0 ?
    C40D C35D C36D . . 118.6(4) ?
    C40D C35D C34D . . 120.6(3) ?
    C36D C35D C34D . . 120.8(3) ?
    C35D C36D C37D . . 119.7(4) ?
    C35D C36D H36D . . 120.2 ?
    C37D C36D H36D . . 120.2 ?
    C38D C37D C36D . . 120.9(4) ?
    C38D C37D H37D . . 119.5 ?
    C36D C37D H37D . . 119.5 ?
    C37D C38D C39D . . 119.8(4) ?
    C37D C38D H38D . . 120.1 ?
    C39D C38D H38D . . 120.1 ?
    C38D C39D C40D . . 120.2(4) ?
    C38D C39D H39D . . 119.9 ?
    C40D C39D H39D . . 119.9 ?
    C35D C40D C39D . . 120.8(4) ?
    C35D C40D H40D . . 119.6 ?
    C39D C40D H40D . . 119.6 ?
    O5D C41D H41J . . 109.5 ?
    O5D C41D H41K . . 109.5 ?
    H41J C41D H41K . . 109.5 ?
    O5D C41D H41L . . 109.5 ?
    H41J C41D H41L . . 109.5 ?
    H41K C41D H41L . . 109.5 ?
    O6D C42D C43D . . 111.4(3) ?
    O6D C42D H42G . . 109.3 ?
    C43D C42D H42G . . 109.3 ?
    O6D C42D H42H . . 109.3 ?
    C43D C42D H42H . . 109.3 ?
    H42G C42D H42H . . 108.0 ?
    O7D C43D O8D . . 124.6(4) ?
    O7D C43D C42D . . 122.2(4) ?
    O8D C43D C42D . . 113.1(3) ?
    O8D C44D H44J . . 109.5 ?
    O8D C44D H44K . . 109.5 ?
    H44J C44D H44K . . 109.5 ?
    O8D C44D H44L . . 109.5 ?
    H44J C44D H44L . . 109.5 ?
    H44K C44D H44L . . 109.5 ?
    C46D C45D C14D . . 112.1(3) ?
    C46D C45D H45G . . 109.2 ?
    C14D C45D H45G . . 109.2 ?
    C46D C45D H45H . . 109.2 ?
    C14D C45D H45H . . 109.2 ?
    H45G C45D H45H . . 107.9 ?
    C47D C46D C45D . . 112.0(3) ?
    C47D C46D H46G . . 109.2 ?
    C45D C46D H46G . . 109.2 ?
    C47D C46D H46H . . 109.2 ?
    C45D C46D H46H . . 109.2 ?
    H46G C46D H46H . . 107.9 ?
    C48D C47D C52D . . 117.5(4) ?
    C48D C47D C46D . . 121.2(4) ?
    C52D C47D C46D . . 121.3(5) ?
    C47D C48D C49D . . 122.3(5) ?
    C47D C48D H48D . . 118.9 ?
    C49D C48D H48D . . 118.9 ?
    C48D C49D C50D . . 119.0(6) ?
    C48D C49D H49D . . 120.5 ?
    C50D C49D H49D . . 120.5 ?
    C51D C50D C49D . . 119.9(5) ?
    C51D C50D H50D . . 120.1 ?
    C49D C50D H50D . . 120.1 ?
    C50D C51D C52D . . 120.4(5) ?
    C50D C51D H51D . . 119.8 ?
    C52D C51D H51D . . 119.8 ?
    C47D C52D C51D . . 120.8(5) ?
    C47D C52D H52D . . 119.6 ?
    C51D C52D H52D . . 119.6 ?
    O9D C53D H53J . . 109.5 ?
    O9D C53D H53K . . 109.5 ?
    H53J C53D H53K . . 109.5 ?
    O9D C53D H53L . . 109.5 ?
    H53J C53D H53L . . 109.5 ?
    H53K C53D H53L . . 109.5 ?
    O10D C54D C55D . . 116.4(4) ?
    O10D C54D H54G . . 108.2 ?
    C55D C54D H54G . . 108.2 ?
    O10D C54D H54H . . 108.2 ?
    C55D C54D H54H . . 108.2 ?
    H54G C54D H54H . . 107.3 ?
    O11D C55D O12D . . 123.3(5) ?
    O11D C55D C54D . . 123.8(6) ?
    O12D C55D C54D . . 112.8(4) ?
    O12D C56D H56J . . 109.5 ?
    O12D C56D H56K . . 109.5 ?
    H56J C56D H56K . . 109.5 ?
    O12D C56D H56L . . 109.5 ?
    H56J C56D H56L . . 109.5 ?
    H56K C56D H56L . . 109.5 ?
    C58D C57D C21D . . 111.8(3) ?
    C58D C57D H57G . . 109.2 ?
    C21D C57D H57G . . 109.2 ?
    C58D C57D H57H . . 109.2 ?
    C21D C57D H57H . . 109.2 ?
    H57G C57D H57H . . 107.9 ?
    C59D C58D C57D . . 113.4(3) ?
    C59D C58D H58G . . 108.9 ?
    C57D C58D H58G . . 108.9 ?
    C59D C58D H58H . . 108.9 ?
    C57D C58D H58H . . 108.9 ?
    H58G C58D H58H . . 107.7 ?
    C64D C59D C60D . . 117.8(5) ?
    C64D C59D C58D . . 121.4(5) ?
    C60D C59D C58D . . 120.7(4) ?
    C59D C60D C61D . . 121.1(5) ?
    C59D C60D H60D . . 119.4 ?
    C61D C60D H60D . . 119.4 ?
    C62D C61D C60D . . 120.9(6) ?
    C62D C61D H61D . . 119.5 ?
    C60D C61D H61D . . 119.5 ?
    C63D C62D C61D . . 117.7(5) ?
    C63D C62D H62D . . 121.2 ?
    C61D C62D H62D . . 121.2 ?
    C62D C63D C64D . . 122.1(5) ?
    C62D C63D H63D . . 118.9 ?
    C64D C63D H63D . . 118.9 ?
    C59D C64D C63D . . 120.2(5) ?
    C59D C64D H64D . . 119.9 ?
    C63D C64D H64D . . 119.9 ?
    O13D C65D H65J . . 109.5 ?
    O13D C65D H65K . . 109.5 ?
    H65J C65D H65K . . 109.5 ?
    O13D C65D H65L . . 109.5 ?
    H65J C65D H65L . . 109.5 ?
    H65K C65D H65L . . 109.5 ?
    O14D C66D C67D . . 112.2(3) ?
    O14D C66D H66G . . 109.2 ?
    C67D C66D H66G . . 109.2 ?
    O14D C66D H66H . . 109.2 ?
    C67D C66D H66H . . 109.2 ?
    H66G C66D H66H . . 107.9 ?
    O15D C67D O16D . . 124.4(4) ?
    O15D C67D C66D . . 121.3(4) ?
    O16D C67D C66D . . 114.1(3) ?
    O16D C68D H68J . . 109.5 ?
    O16D C68D H68K . . 109.5 ?
    H68J C68D H68K . . 109.5 ?
    O16D C68D H68L . . 109.5 ?
    H68J C68D H68L . . 109.5 ?
    H68K C68D H68L . . 109.5 ?
    C70D C69D C28D . . 117.9(3) ?
    C70D C69D H69G . . 107.8 ?
    C28D C69D H69G . . 107.8 ?
    C70D C69D H69H . . 107.8 ?
    C28D C69D H69H . . 107.8 ?
    H69G C69D H69H . . 107.2 ?
    C71D C70D C69D . . 110.0(3) ?
    C71D C70D H70G . . 109.7 ?
    C69D C70D H70G . . 109.7 ?
    C71D C70D H70H . . 109.7 ?
    C69D C70D H70H . . 109.7 ?
    H70G C70D H70H . . 108.2 ?
    C72D C71D C76D . . 118.4(5) ?
    C72D C71D C70D . . 121.4(5) ?
    C76D C71D C70D . . 120.0(4) ?
    C71D C72D C73D . . 119.4(7) ?
    C71D C72D H72D . . 120.3 ?
    C73D C72D H72D . . 120.3 ?
    C74D C73D C72D . . 118.6(7) ?
    C74D C73D H73D . . 120.7 ?
    C72D C73D H73D . . 120.7 ?
    C75D C74D C73D . . 122.7(7) ?
    C75D C74D H74D . . 118.6 ?
    C73D C74D H74D . . 118.6 ?
    C74D C75D C76D . . 117.0(8) ?
    C74D C75D H75D . . 121.5 ?
    C76D C75D H75D . . 121.5 ?
    C75D C76D C71D . . 123.9(6) ?
    C75D C76D H76D . . 118.1 ?
    C71D C76D H76D . . 118.1 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C29A O1A C2A C3A . . . . 9.2(6) ?
    C29A O1A C2A C1A . . . . -169.7(4) ?
    C6A C1A C2A O1A . . . . 175.3(3) ?
    C28A C1A C2A O1A . . . . -1.1(5) ?
    C6A C1A C2A C3A . . . . -3.6(5) ?
    C28A C1A C2A C3A . . . . -180.0(3) ?
    O1A C2A C3A C4A . . . . -175.6(3) ?
    C1A C2A C3A C4A . . . . 3.3(5) ?
    C2A C3A C4A C5A . . . . -0.1(5) ?
    C2A C3A C4A O2A . . . . 176.5(3) ?
    C30A O2A C4A C3A . . . . 102.1(4) ?
    C30A O2A C4A C5A . . . . -81.3(4) ?
    C3A C4A C5A C6A . . . . -2.5(5) ?
    O2A C4A C5A C6A . . . . -179.0(3) ?
    C3A C4A C5A C7A . . . . 171.2(3) ?
    O2A C4A C5A C7A . . . . -5.3(5) ?
    C4A C5A C6A C1A . . . . 2.1(5) ?
    C7A C5A C6A C1A . . . . -171.7(3) ?
    C2A C1A C6A C5A . . . . 0.9(5) ?
    C28A C1A C6A C5A . . . . 177.3(3) ?
    C6A C5A C7A C8A . . . . -43.1(4) ?
    C4A C5A C7A C8A . . . . 143.5(3) ?
    C6A C5A C7A C33A . . . . 81.1(4) ?
    C4A C5A C7A C33A . . . . -92.3(4) ?
    C5A C7A C8A C13A . . . . 109.5(4) ?
    C33A C7A C8A C13A . . . . -10.8(5) ?
    C5A C7A C8A C9A . . . . -71.8(4) ?
    C33A C7A C8A C9A . . . . 168.0(3) ?
    C41A O5A C9A C10A . . . . -3.7(5) ?
    C41A O5A C9A C8A . . . . 177.4(3) ?
    C13A C8A C9A O5A . . . . -178.5(3) ?
    C7A C8A C9A O5A . . . . 2.7(5) ?
    C13A C8A C9A C10A . . . . 2.6(5) ?
    C7A C8A C9A C10A . . . . -176.3(3) ?
    O5A C9A C10A C11A . . . . -178.7(3) ?
    C8A C9A C10A C11A . . . . 0.2(5) ?
    C9A C10A C11A C12A . . . . -3.0(5) ?
    C9A C10A C11A O6A . . . . 172.7(3) ?
    C42A O6A C11A C10A . . . . 73.0(4) ?
    C42A O6A C11A C12A . . . . -111.2(4) ?
    C10A C11A C12A C13A . . . . 2.7(5) ?
    O6A C11A C12A C13A . . . . -173.0(3) ?
    C10A C11A C12A C14A . . . . -177.8(3) ?
    O6A C11A C12A C14A . . . . 6.5(5) ?
    C9A C8A C13A C12A . . . . -2.8(5) ?
    C7A C8A C13A C12A . . . . 176.0(3) ?
    C11A C12A C13A C8A . . . . 0.2(5) ?
    C14A C12A C13A C8A . . . . -179.2(3) ?
    C11A C12A C14A C15A . . . . 69.7(4) ?
    C13A C12A C14A C15A . . . . -110.9(4) ?
    C11A C12A C14A C45A . . . . -165.1(3) ?
    C13A C12A C14A C45A . . . . 14.4(5) ?
    C12A C14A C15A C20A . . . . 50.4(4) ?
    C45A C14A C15A C20A . . . . -76.4(4) ?
    C12A C14A C15A C16A . . . . -129.9(3) ?
    C45A C14A C15A C16A . . . . 103.3(4) ?
    C53A O9A C16A C17A . . . . 9.7(6) ?
    C53A O9A C16A C15A . . . . -171.4(4) ?
    C20A C15A C16A O9A . . . . -176.7(3) ?
    C14A C15A C16A O9A . . . . 3.6(5) ?
    C20A C15A C16A C17A . . . . 2.3(5) ?
    C14A C15A C16A C17A . . . . -177.4(3) ?
    O9A C16A C17A C18A . . . . 178.3(3) ?
    C15A C16A C17A C18A . . . . -0.5(5) ?
    C54A O10A C18A C17A . . . . 1.5(5) ?
    C54A O10A C18A C19A . . . . -179.7(3) ?
    C16A C17A C18A O10A . . . . 176.7(3) ?
    C16A C17A C18A C19A . . . . -1.9(5) ?
    O10A C18A C19A C20A . . . . -176.3(3) ?
    C17A C18A C19A C20A . . . . 2.4(5) ?
    O10A C18A C19A C21A . . . . 4.7(5) ?
    C17A C18A C19A C21A . . . . -176.5(3) ?
    C18A C19A C20A C15A . . . . -0.6(5) ?
    C21A C19A C20A C15A . . . . 178.4(3) ?
    C16A C15A C20A C19A . . . . -1.7(5) ?
    C14A C15A C20A C19A . . . . 178.0(3) ?
    C20A C19A C21A C57A . . . . 83.0(4) ?
    C18A C19A C21A C57A . . . . -98.1(4) ?
    C20A C19A C21A C22A . . . . -42.7(4) ?
    C18A C19A C21A C22A . . . . 136.2(3) ?
    C19A C21A C22A C27A . . . . 113.5(4) ?
    C57A C21A C22A C27A . . . . -11.2(5) ?
    C19A C21A C22A C23A . . . . -67.6(4) ?
    C57A C21A C22A C23A . . . . 167.6(3) ?
    C65A O13A C23A C24A . . . . -12.6(5) ?
    C65A O13A C23A C22A . . . . 168.3(3) ?
    C27A C22A C23A O13A . . . . 178.9(3) ?
    C21A C22A C23A O13A . . . . 0.0(5) ?
    C27A C22A C23A C24A . . . . -0.1(5) ?
    C21A C22A C23A C24A . . . . -179.0(3) ?
    O13A C23A C24A C25A . . . . -178.0(3) ?
    C22A C23A C24A C25A . . . . 1.0(5) ?
    C66A O14A C25A C24A . . . . 45.0(5) ?
    C66A O14A C25A C26A . . . . -136.0(4) ?
    C23A C24A C25A O14A . . . . 178.4(3) ?
    C23A C24A C25A C26A . . . . -0.6(5) ?
    O14A C25A C26A C27A . . . . -179.7(3) ?
    C24A C25A C26A C27A . . . . -0.7(5) ?
    O14A C25A C26A C28A . . . . 3.2(5) ?
    C24A C25A C26A C28A . . . . -177.8(3) ?
    C23A C22A C27A C26A . . . . -1.2(5) ?
    C21A C22A C27A C26A . . . . 177.7(3) ?
    C25A C26A C27A C22A . . . . 1.6(5) ?
    C28A C26A C27A C22A . . . . 178.6(3) ?
    C27A C26A C28A C1A . . . . -116.2(4) ?
    C25A C26A C28A C1A . . . . 60.7(4) ?
    C27A C26A C28A C69A . . . . 7.2(5) ?
    C25A C26A C28A C69A . . . . -176.0(3) ?
    C6A C1A C28A C26A . . . . 41.3(4) ?
    C2A C1A C28A C26A . . . . -142.4(3) ?
    C6A C1A C28A C69A . . . . -85.6(4) ?
    C2A C1A C28A C69A . . . . 90.6(4) ?
    C4A O2A C30A C31A . . . . -88.5(4) ?
    C32A O4A C31A O3A . . . . 2.8(8) ?
    C32A O4A C31A C30A . . . . -178.2(5) ?
    O2A C30A C31A O3A . . . . -7.1(7) ?
    O2A C30A C31A O4A . . . . 173.9(3) ?
    C5A C7A C33A C34A . . . . 168.7(3) ?
    C8A C7A C33A C34A . . . . -67.9(4) ?
    C7A C33A C34A C35A . . . . 174.2(3) ?
    C33A C34A C35A C40A . . . . -97.4(4) ?
    C33A C34A C35A C36A . . . . 80.2(4) ?
    C40A C35A C36A C37A . . . . 0.8(6) ?
    C34A C35A C36A C37A . . . . -177.0(4) ?
    C35A C36A C37A C38A . . . . -0.9(7) ?
    C36A C37A C38A C39A . . . . 0.8(7) ?
    C37A C38A C39A C40A . . . . -0.6(7) ?
    C36A C35A C40A C39A . . . . -0.6(6) ?
    C34A C35A C40A C39A . . . . 177.1(4) ?
    C38A C39A C40A C35A . . . . 0.5(7) ?
    C11A O6A C42A C43A . . . . 173.9(3) ?
    C44A O8A C43A O7A . . . . 1.0(6) ?
    C44A O8A C43A C42A . . . . 178.9(4) ?
    O6A C42A C43A O7A . . . . -151.3(4) ?
    O6A C42A C43A O8A . . . . 30.7(5) ?
    C12A C14A C45A C46A . . . . 170.6(3) ?
    C15A C14A C45A C46A . . . . -64.1(4) ?
    C14A C45A C46A C47A . . . . -171.9(4) ?
    C45A C46A C47A C48A . . . . -109.1(4) ?
    C45A C46A C47A C52A . . . . 72.6(5) ?
    C52A C47A C48A C49A . . . . 0.8(5) ?
    C46A C47A C48A C49A . . . . -177.6(4) ?
    C47A C48A C49A C50A . . . . -1.1(6) ?
    C48A C49A C50A C51A . . . . 0.8(7) ?
    C49A C50A C51A C52A . . . . -0.2(8) ?
    C50A C51A C52A C47A . . . . -0.2(8) ?
    C48A C47A C52A C51A . . . . -0.1(7) ?
    C46A C47A C52A C51A . . . . 178.3(4) ?
    C18A O10A C54A C55A . . . . 75.9(4) ?
    C56A O12A C55A O11A . . . . -0.9(8) ?
    C56A O12A C55A C54A . . . . 175.6(4) ?
    O10A C54A C55A O11A . . . . 40.8(7) ?
    O10A C54A C55A O12A . . . . -135.7(4) ?
    C19A C21A C57A C58A . . . . 63.9(4) ?
    C22A C21A C57A C58A . . . . -171.7(3) ?
    C21A C57A C58A C59A . . . . 179.7(4) ?
    C57A C58A C59A C60A . . . . 103.6(4) ?
    C57A C58A C59A C64A . . . . -73.5(5) ?
    C64A C59A C60A C61A . . . . 0.4(6) ?
    C58A C59A C60A C61A . . . . -176.9(4) ?
    C59A C60A C61A C62A . . . . -1.5(7) ?
    C60A C61A C62A C63A . . . . 0.8(8) ?
    C61A C62A C63A C64A . . . . 0.9(8) ?
    C62A C63A C64A C59A . . . . -2.0(7) ?
    C60A C59A C64A C63A . . . . 1.3(6) ?
    C58A C59A C64A C63A . . . . 178.6(4) ?
    C25A O14A C66A C67A . . . . 163.3(4) ?
    C68A O16A C67A O15A . . . . -2.2(8) ?
    C68A O16A C67A C66A . . . . 177.2(4) ?
    O14A C66A C67A O15A . . . . -165.1(5) ?
    O14A C66A C67A O16A . . . . 15.5(6) ?
    C26A C28A C69A C70A . . . . 68.2(4) ?
    C1A C28A C69A C70A . . . . -167.4(3) ?
    C28A C69A C70A C71A . . . . -175.5(3) ?
    C69A C70A C71A C76A . . . . -90.9(5) ?
    C69A C70A C71A C72A . . . . 84.1(4) ?
    C76A C71A C72A C73A . . . . -0.9(7) ?
    C70A C71A C72A C73A . . . . -176.0(4) ?
    C71A C72A C73A C74A . . . . 0.8(7) ?
    C72A C73A C74A C75A . . . . -0.8(8) ?
    C73A C74A C75A C76A . . . . 0.8(8) ?
    C72A C71A C76A C75A . . . . 0.9(7) ?
    C70A C71A C76A C75A . . . . 176.0(4) ?
    C74A C75A C76A C71A . . . . -0.9(8) ?
    C29B O1B C2B C3B . . . . -8.1(5) ?
    C29B O1B C2B C1B . . . . 173.4(4) ?
    C6B C1B C2B O1B . . . . 176.2(3) ?
    C28B C1B C2B O1B . . . . -3.5(5) ?
    C6B C1B C2B C3B . . . . -2.3(5) ?
    C28B C1B C2B C3B . . . . 178.0(3) ?
    O1B C2B C3B C4B . . . . -178.1(3) ?
    C1B C2B C3B C4B . . . . 0.3(5) ?
    C30B O2B C4B C3B . . . . -6.1(5) ?
    C30B O2B C4B C5B . . . . 174.1(3) ?
    C2B C3B C4B O2B . . . . -177.5(3) ?
    C2B C3B C4B C5B . . . . 2.3(5) ?
    O2B C4B C5B C6B . . . . 177.0(3) ?
    C3B C4B C5B C6B . . . . -2.9(5) ?
    O2B C4B C5B C7B . . . . -5.2(5) ?
    C3B C4B C5B C7B . . . . 175.0(3) ?
    C2B C1B C6B C5B . . . . 1.8(5) ?
    C28B C1B C6B C5B . . . . -178.5(3) ?
    C4B C5B C6B C1B . . . . 0.8(5) ?
    C7B C5B C6B C1B . . . . -177.1(3) ?
    C6B C5B C7B C8B . . . . 43.9(4) ?
    C4B C5B C7B C8B . . . . -133.9(3) ?
    C6B C5B C7B C33B . . . . -83.0(4) ?
    C4B C5B C7B C33B . . . . 99.2(4) ?
    C5B C7B C8B C13B . . . . -111.6(4) ?
    C33B C7B C8B C13B . . . . 14.9(4) ?
    C5B C7B C8B C9B . . . . 68.6(4) ?
    C33B C7B C8B C9B . . . . -164.9(3) ?
    C41B O5B C9B C10B . . . . 9.4(6) ?
    C41B O5B C9B C8B . . . . -170.6(4) ?
    C13B C8B C9B O5B . . . . 179.5(3) ?
    C7B C8B C9B O5B . . . . -0.7(5) ?
    C13B C8B C9B C10B . . . . -0.4(5) ?
    C7B C8B C9B C10B . . . . 179.4(3) ?
    O5B C9B C10B C11B . . . . 179.9(4) ?
    C8B C9B C10B C11B . . . . -0.2(6) ?
    C42B O6B C11B C10B . . . . -64.0(5) ?
    C42B O6B C11B C12B . . . . 117.4(4) ?
    C9B C10B C11B O6B . . . . -178.2(3) ?
    C9B C10B C11B C12B . . . . 0.3(6) ?
    O6B C11B C12B C13B . . . . 178.8(3) ?
    C10B C11B C12B C13B . . . . 0.3(5) ?
    O6B C11B C12B C14B . . . . -1.8(5) ?
    C10B C11B C12B C14B . . . . 179.6(3) ?
    C9B C8B C13B C12B . . . . 1.1(5) ?
    C7B C8B C13B C12B . . . . -178.7(3) ?
    C11B C12B C13B C8B . . . . -1.0(5) ?
    C14B C12B C13B C8B . . . . 179.7(3) ?
    C11B C12B C14B C15B . . . . -64.3(4) ?
    C13B C12B C14B C15B . . . . 115.0(4) ?
    C11B C12B C14B C45B . . . . 173.1(3) ?
    C13B C12B C14B C45B . . . . -7.6(5) ?
    C12B C14B C15B C20B . . . . -41.6(4) ?
    C45B C14B C15B C20B . . . . 85.3(4) ?
    C12B C14B C15B C16B . . . . 143.4(3) ?
    C45B C14B C15B C16B . . . . -89.7(4) ?
    C53B O9B C16B C17B . . . . -14.0(7) ?
    C53B O9B C16B C15B . . . . 165.5(5) ?
    C20B C15B C16B O9B . . . . -176.4(3) ?
    C14B C15B C16B O9B . . . . -1.3(5) ?
    C20B C15B C16B C17B . . . . 3.1(5) ?
    C14B C15B C16B C17B . . . . 178.3(3) ?
    O9B C16B C17B C18B . . . . 177.3(4) ?
    C15B C16B C17B C18B . . . . -2.2(6) ?
    C16B C17B C18B C19B . . . . -0.7(6) ?
    C16B C17B C18B O10B . . . . -176.4(3) ?
    C54B O10B C18B C17B . . . . -102.2(4) ?
    C54B O10B C18B C19B . . . . 82.0(4) ?
    C17B C18B C19B C20B . . . . 2.5(5) ?
    O10B C18B C19B C20B . . . . 178.2(3) ?
    C17B C18B C19B C21B . . . . -171.3(3) ?
    O10B C18B C19B C21B . . . . 4.4(5) ?
    C16B C15B C20B C19B . . . . -1.2(5) ?
    C14B C15B C20B C19B . . . . -176.4(3) ?
    C18B C19B C20B C15B . . . . -1.5(5) ?
    C21B C19B C20B C15B . . . . 172.4(3) ?
    C18B C19B C21B C22B . . . . -142.4(3) ?
    C20B C19B C21B C22B . . . . 44.1(4) ?
    C18B C19B C21B C57B . . . . 91.3(4) ?
    C20B C19B C21B C57B . . . . -82.2(4) ?
    C19B C21B C22B C27B . . . . -110.1(3) ?
    C57B C21B C22B C27B . . . . 12.5(4) ?
    C19B C21B C22B C23B . . . . 70.0(4) ?
    C57B C21B C22B C23B . . . . -167.4(3) ?
    C65B O13B C23B C24B . . . . 2.9(5) ?
    C65B O13B C23B C22B . . . . -179.4(3) ?
    C27B C22B C23B O13B . . . . 178.4(3) ?
    C21B C22B C23B O13B . . . . -1.7(5) ?
    C27B C22B C23B C24B . . . . -3.8(5) ?
    C21B C22B C23B C24B . . . . 176.1(3) ?
    O13B C23B C24B C25B . . . . 179.2(3) ?
    C22B C23B C24B C25B . . . . 1.6(5) ?
    C23B C24B C25B C26B . . . . 1.2(5) ?
    C23B C24B C25B O14B . . . . -172.0(3) ?
    C66B O14B C25B C24B . . . . -75.8(4) ?
    C66B O14B C25B C26B . . . . 110.8(4) ?
    C24B C25B C26B C27B . . . . -1.5(5) ?
    O14B C25B C26B C27B . . . . 171.9(3) ?
    C24B C25B C26B C28B . . . . 179.0(3) ?
    O14B C25B C26B C28B . . . . -7.7(5) ?
    C25B C26B C27B C22B . . . . -1.0(5) ?
    C28B C26B C27B C22B . . . . 178.5(3) ?
    C23B C22B C27B C26B . . . . 3.6(5) ?
    C21B C22B C27B C26B . . . . -176.3(3) ?
    C27B C26B C28B C69B . . . . -16.6(5) ?
    C25B C26B C28B C69B . . . . 162.9(3) ?
    C27B C26B C28B C1B . . . . 109.8(4) ?
    C25B C26B C28B C1B . . . . -70.7(4) ?
    C6B C1B C28B C26B . . . . -50.6(4) ?
    C2B C1B C28B C26B . . . . 129.1(3) ?
    C6B C1B C28B C69B . . . . 77.5(4) ?
    C2B C1B C28B C69B . . . . -102.8(4) ?
    C4B O2B C30B C31B . . . . -69.8(4) ?
    C32B O4B C31B O3B . . . . 2.3(8) ?
    C32B O4B C31B C30B . . . . -177.1(5) ?
    O2B C30B C31B O3B . . . . -22.0(6) ?
    O2B C30B C31B O4B . . . . 157.4(4) ?
    C5B C7B C33B C34B . . . . -63.3(4) ?
    C8B C7B C33B C34B . . . . 170.8(3) ?
    C7B C33B C34B C35B . . . . 177.5(3) ?
    C33B C34B C35B C36B . . . . 67.9(5) ?
    C33B C34B C35B C40B . . . . -111.1(4) ?
    C40B C35B C36B C37B . . . . -0.6(7) ?
    C34B C35B C36B C37B . . . . -179.7(4) ?
    C35B C36B C37B C38B . . . . -0.3(7) ?
    C36B C37B C38B C39B . . . . 1.0(7) ?
    C37B C38B C39B C40B . . . . -0.8(7) ?
    C38B C39B C40B C35B . . . . -0.1(7) ?
    C36B C35B C40B C39B . . . . 0.8(6) ?
    C34B C35B C40B C39B . . . . 179.9(4) ?
    C11B O6B C42B C43B . . . . -162.5(4) ?
    C44B O8B C43B O7B . . . . -4.1(9) ?
    C44B O8B C43B C42B . . . . 176.3(6) ?
    O6B C42B C43B O7B . . . . 171.6(6) ?
    O6B C42B C43B O8B . . . . -8.7(7) ?
    C12B C14B C45B C46B . . . . -68.3(4) ?
    C15B C14B C45B C46B . . . . 167.5(3) ?
    C14B C45B C46B C47B . . . . 173.1(3) ?
    C45B C46B C47B C52B . . . . -74.4(4) ?
    C45B C46B C47B C48B . . . . 106.2(4) ?
    C52B C47B C48B C49B . . . . 0.9(7) ?
    C46B C47B C48B C49B . . . . -179.7(4) ?
    C47B C48B C49B C50B . . . . -0.6(8) ?
    C48B C49B C50B C51B . . . . 0.6(8) ?
    C49B C50B C51B C52B . . . . -0.9(8) ?
    C48B C47B C52B C51B . . . . -1.2(7) ?
    C46B C47B C52B C51B . . . . 179.4(4) ?
    C50B C51B C52B C47B . . . . 1.2(7) ?
    C18B O10B C54B C55B . . . . 88.1(4) ?
    C56B O12B C55B O11B . . . . -1.5(9) ?
    C56B O12B C55B C54B . . . . 178.4(6) ?
    O10B C54B C55B O11B . . . . 5.8(7) ?
    O10B C54B C55B O12B . . . . -174.1(4) ?
    C22B C21B C57B C58B . . . . 66.4(4) ?
    C19B C21B C57B C58B . . . . -168.6(3) ?
    C21B C57B C58B C59B . . . . -173.8(3) ?
    C57B C58B C59B C64B . . . . 98.8(4) ?
    C57B C58B C59B C60B . . . . -77.1(4) ?
    C64B C59B C60B C61B . . . . 0.5(6) ?
    C58B C59B C60B C61B . . . . 176.6(4) ?
    C59B C60B C61B C62B . . . . 0.0(7) ?
    C60B C61B C62B C63B . . . . 0.3(7) ?
    C61B C62B C63B C64B . . . . -1.1(7) ?
    C60B C59B C64B C63B . . . . -1.4(6) ?
    C58B C59B C64B C63B . . . . -177.5(4) ?
    C62B C63B C64B C59B . . . . 1.7(7) ?
    C25B O14B C66B C67B . . . . -172.8(3) ?
    C68B O16B C67B O15B . . . . -1.6(6) ?
    C68B O16B C67B C66B . . . . -179.6(4) ?
    O14B C66B C67B O15B . . . . 150.2(4) ?
    O14B C66B C67B O16B . . . . -31.8(5) ?
    C26B C28B C69B C70B . . . . -168.7(3) ?
    C1B C28B C69B C70B . . . . 64.8(4) ?
    C28B C69B C70B C71B . . . . 172.6(4) ?
    C69B C70B C71B C76B . . . . 104.1(4) ?
    C69B C70B C71B C72B . . . . -76.8(5) ?
    C76B C71B C72B C73B . . . . 0.6(7) ?
    C70B C71B C72B C73B . . . . -178.5(4) ?
    C71B C72B C73B C74B . . . . 0.5(8) ?
    C72B C73B C74B C75B . . . . -0.5(9) ?
    C73B C74B C75B C76B . . . . -0.5(8) ?
    C72B C71B C76B C75B . . . . -1.6(6) ?
    C70B C71B C76B C75B . . . . 177.4(4) ?
    C74B C75B C76B C71B . . . . 1.6(7) ?
    C29C O1C C2C C3C . . . . 5.1(6) ?
    C29C O1C C2C C1C . . . . -175.9(4) ?
    C6C C1C C2C C3C . . . . 0.8(5) ?
    C28C C1C C2C C3C . . . . 176.5(3) ?
    C6C C1C C2C O1C . . . . -178.3(3) ?
    C28C C1C C2C O1C . . . . -2.5(5) ?
    O1C C2C C3C C4C . . . . 178.2(3) ?
    C1C C2C C3C C4C . . . . -0.8(6) ?
    C2C C3C C4C O2C . . . . -178.0(3) ?
    C2C C3C C4C C5C . . . . 0.4(6) ?
    C30C O2C C4C C3C . . . . -97.2(4) ?
    C30C O2C C4C C5C . . . . 84.4(4) ?
    C3C C4C C5C C6C . . . . 0.0(5) ?
    O2C C4C C5C C6C . . . . 178.4(3) ?
    C3C C4C C5C C7C . . . . -176.3(3) ?
    O2C C4C C5C C7C . . . . 2.0(5) ?
    C4C C5C C6C C1C . . . . 0.0(5) ?
    C7C C5C C6C C1C . . . . 176.3(3) ?
    C2C C1C C6C C5C . . . . -0.3(5) ?
    C28C C1C C6C C5C . . . . -176.1(3) ?
    C6C C5C C7C C8C . . . . 41.1(4) ?
    C4C C5C C7C C8C . . . . -142.7(3) ?
    C6C C5C C7C C33C . . . . -85.9(4) ?
    C4C C5C C7C C33C . . . . 90.3(4) ?
    C33C C7C C8C C13C . . . . 10.2(5) ?
    C5C C7C C8C C13C . . . . -113.0(3) ?
    C33C C7C C8C C9C . . . . -170.7(3) ?
    C5C C7C C8C C9C . . . . 66.1(4) ?
    C41C O5C C9C C10C . . . . 3.2(5) ?
    C41C O5C C9C C8C . . . . -177.7(3) ?
    C13C C8C C9C O5C . . . . 178.8(3) ?
    C7C C8C C9C O5C . . . . -0.4(5) ?
    C13C C8C C9C C10C . . . . -2.1(5) ?
    C7C C8C C9C C10C . . . . 178.7(3) ?
    O5C C9C C10C C11C . . . . 179.2(3) ?
    C8C C9C C10C C11C . . . . 0.2(5) ?
    C42C O6C C11C C10C . . . . -67.8(4) ?
    C42C O6C C11C C12C . . . . 116.2(3) ?
    C9C C10C C11C O6C . . . . -174.4(3) ?
    C9C C10C C11C C12C . . . . 1.4(5) ?
    O6C C11C C12C C13C . . . . 175.0(3) ?
    C10C C11C C12C C13C . . . . -1.0(5) ?
    O6C C11C C12C C14C . . . . -5.7(5) ?
    C10C C11C C12C C14C . . . . 178.3(3) ?
    C9C C8C C13C C12C . . . . 2.6(5) ?
    C7C C8C C13C C12C . . . . -178.3(3) ?
    C11C C12C C13C C8C . . . . -1.1(5) ?
    C14C C12C C13C C8C . . . . 179.7(3) ?
    C11C C12C C14C C15C . . . . -63.2(4) ?
    C13C C12C C14C C15C . . . . 116.1(3) ?
    C11C C12C C14C C45C . . . . 170.9(3) ?
    C13C C12C C14C C45C . . . . -9.8(5) ?
    C12C C14C C15C C16C . . . . 129.2(3) ?
    C45C C14C C15C C16C . . . . -103.6(4) ?
    C12C C14C C15C C20C . . . . -46.6(4) ?
    C45C C14C C15C C20C . . . . 80.5(4) ?
    C53C O9C C16C C17C . . . . -3.7(6) ?
    C53C O9C C16C C15C . . . . 176.8(4) ?
    C20C C15C C16C O9C . . . . -178.9(3) ?
    C14C C15C C16C O9C . . . . 5.1(5) ?
    C20C C15C C16C C17C . . . . 1.7(5) ?
    C14C C15C C16C C17C . . . . -174.3(3) ?
    O9C C16C C17C C18C . . . . -178.9(4) ?
    C15C C16C C17C C18C . . . . 0.5(6) ?
    C16C C17C C18C O10C . . . . 178.1(4) ?
    C16C C17C C18C C19C . . . . -3.6(6) ?
    O10C C18C C19C C20C . . . . -177.4(3) ?
    C17C C18C C19C C20C . . . . 4.2(5) ?
    O10C C18C C19C C21C . . . . 2.1(5) ?
    C17C C18C C19C C21C . . . . -176.4(4) ?
    C18C C19C C20C C15C . . . . -1.9(5) ?
    C21C C19C C20C C15C . . . . 178.6(3) ?
    C16C C15C C20C C19C . . . . -1.0(5) ?
    C14C C15C C20C C19C . . . . 175.1(3) ?
    C20C C19C C21C C22C . . . . 50.3(5) ?
    C18C C19C C21C C22C . . . . -129.2(4) ?
    C20C C19C C21C C57C . . . . -76.0(4) ?
    C18C C19C C21C C57C . . . . 104.6(4) ?
    C19C C21C C22C C27C . . . . -111.7(4) ?
    C57C C21C C22C C27C . . . . 13.3(5) ?
    C19C C21C C22C C23C . . . . 69.6(4) ?
    C57C C21C C22C C23C . . . . -165.4(3) ?
    C65C O13C C23C C24C . . . . 6.8(5) ?
    C65C O13C C23C C22C . . . . -173.6(4) ?
    C27C C22C C23C O13C . . . . 179.8(3) ?
    C21C C22C C23C O13C . . . . -1.4(5) ?
    C27C C22C C23C C24C . . . . -0.7(5) ?
    C21C C22C C23C C24C . . . . 178.1(3) ?
    O13C C23C C24C C25C . . . . 179.8(3) ?
    C22C C23C C24C C25C . . . . 0.3(5) ?
    C23C C24C C25C C26C . . . . 0.2(6) ?
    C23C C24C C25C O14C . . . . -177.4(3) ?
    C66C O14C C25C C24C . . . . -58.6(6) ?
    C66C O14C C25C C26C . . . . 123.6(5) ?
    C24C C25C C26C C27C . . . . -0.3(5) ?
    O14C C25C C26C C27C . . . . 177.5(3) ?
    C24C C25C C26C C28C . . . . 177.9(3) ?
    O14C C25C C26C C28C . . . . -4.4(5) ?
    C23C C22C C27C C26C . . . . 0.6(5) ?
    C21C C22C C27C C26C . . . . -178.2(3) ?
    C25C C26C C27C C22C . . . . -0.1(5) ?
    C28C C26C C27C C22C . . . . -178.3(3) ?
    C6C C1C C28C C26C . . . . -46.2(4) ?
    C2C C1C C28C C26C . . . . 138.2(3) ?
    C6C C1C C28C C69C . . . . 80.0(4) ?
    C2C C1C C28C C69C . . . . -95.6(4) ?
    C25C C26C C28C C1C . . . . -65.1(4) ?
    C27C C26C C28C C1C . . . . 113.0(4) ?
    C25C C26C C28C C69C . . . . 173.0(3) ?
    C27C C26C C28C C69C . . . . -8.9(5) ?
    C4C O2C C30C C31C . . . . 80.6(4) ?
    C32C O4C C31C O3C . . . . -0.3(8) ?
    C32C O4C C31C C30C . . . . -178.8(5) ?
    O2C C30C C31C O3C . . . . 23.6(7) ?
    O2C C30C C31C O4C . . . . -158.0(3) ?
    C8C C7C C33C C34C . . . . 68.0(4) ?
    C5C C7C C33C C34C . . . . -167.3(3) ?
    C7C C33C C34C C35C . . . . -177.3(3) ?
    C33C C34C C35C C40C . . . . 89.3(4) ?
    C33C C34C C35C C36C . . . . -88.2(5) ?
    C40C C35C C36C C37C . . . . 0.0(7) ?
    C34C C35C C36C C37C . . . . 177.5(4) ?
    C35C C36C C37C C38C . . . . 0.4(8) ?
    C36C C37C C38C C39C . . . . 0.1(8) ?
    C37C C38C C39C C40C . . . . -1.0(8) ?
    C36C C35C C40C C39C . . . . -0.8(7) ?
    C34C C35C C40C C39C . . . . -178.4(4) ?
    C38C C39C C40C C35C . . . . 1.3(7) ?
    C11C O6C C42C C43C . . . . -176.8(3) ?
    C44C O8C C43C O7C . . . . 1.3(7) ?
    C44C O8C C43C C42C . . . . -176.6(4) ?
    O6C C42C C43C O7C . . . . 154.8(4) ?
    O6C C42C C43C O8C . . . . -27.2(5) ?
    C15C C14C C45C C46C . . . . 65.2(4) ?
    C12C C14C C45C C46C . . . . -170.0(3) ?
    C14C C45C C46C C47C . . . . 170.9(4) ?
    C45C C46C C47C C52C . . . . 108.4(4) ?
    C45C C46C C47C C48C . . . . -72.3(5) ?
    C52C C47C C48C C49C . . . . -0.5(7) ?
    C46C C47C C48C C49C . . . . -179.8(4) ?
    C47C C48C C49C C50C . . . . 2.4(8) ?
    C48C C49C C50C C51C . . . . -2.4(8) ?
    C49C C50C C51C C52C . . . . 0.6(7) ?
    C48C C47C C52C C51C . . . . -1.4(6) ?
    C46C C47C C52C C51C . . . . 177.9(4) ?
    C50C C51C C52C C47C . . . . 1.3(6) ?
    C17C C18C O10C C54C . . . . -30.1(6) ?
    C19C C18C O10C C54C . . . . 151.5(4) ?
    C55C C54C O10C C18C . . . . 93.5(6) ?
    C56C O12C C55C O11C . . . . 0.4(11) ?
    C56C O12C C55C C54C . . . . -178.4(6) ?
    O10C C54C C55C O11C . . . . 175.9(7) ?
    O10C C54C C55C O12C . . . . -5.3(8) ?
    C19C C21C C57C C58C . . . . -60.4(4) ?
    C22C C21C C57C C58C . . . . 173.5(3) ?
    C21C C57C C58C C59C . . . . 173.4(3) ?
    C57C C58C C59C C60C . . . . 38.3(6) ?
    C57C C58C C59C C64C . . . . -140.5(4) ?
    C64C C59C C60C C61C . . . . 0.2(8) ?
    C58C C59C C60C C61C . . . . -178.6(5) ?
    C59C C60C C61C C62C . . . . 0.3(9) ?
    C60C C61C C62C C63C . . . . -1.8(9) ?
    C61C C62C C63C C64C . . . . 2.8(9) ?
    C62C C63C C64C C59C . . . . -2.3(9) ?
    C60C C59C C64C C63C . . . . 0.8(7) ?
    C58C C59C C64C C63C . . . . 179.6(5) ?
    C25C O14C C66C C67C . . . . -174.7(5) ?
    C68C O16C C67C O15C . . . . -2.3(9) ?
    C68C O16C C67C C66C . . . . 179.0(5) ?
    O14C C66C C67C O15C . . . . 178.2(6) ?
    O14C C66C C67C O16C . . . . -3.1(8) ?
    C1C C28C C69C C70C . . . . 166.4(3) ?
    C26C C28C C69C C70C . . . . -69.8(4) ?
    C28C C69C C70C C71C . . . . -174.4(3) ?
    C69C C70C C71C C72C . . . . -75.2(5) ?
    C69C C70C C71C C76C . . . . 100.0(5) ?
    C76C C71C C72C C73C . . . . 0.3(8) ?
    C70C C71C C72C C73C . . . . 175.4(5) ?
    C71C C72C C73C C74C . . . . -1.6(10) ?
    C72C C73C C74C C75C . . . . 2.6(12) ?
    C73C C74C C75C C76C . . . . -2.2(13) ?
    C72C C71C C76C C75C . . . . 0.1(8) ?
    C70C C71C C76C C75C . . . . -175.1(5) ?
    C74C C75C C76C C71C . . . . 0.9(10) ?
    C29D O1D C2D C3D . . . . -7.2(5) ?
    C29D O1D C2D C1D . . . . 173.6(3) ?
    C6D C1D C2D O1D . . . . 179.4(3) ?
    C28D C1D C2D O1D . . . . 2.0(5) ?
    C6D C1D C2D C3D . . . . 0.1(5) ?
    C28D C1D C2D C3D . . . . -177.2(3) ?
    O1D C2D C3D C4D . . . . -178.9(3) ?
    C1D C2D C3D C4D . . . . 0.3(5) ?
    C2D C3D C4D O2D . . . . 178.4(3) ?
    C2D C3D C4D C5D . . . . -0.8(5) ?
    C30D O2D C4D C3D . . . . 95.8(4) ?
    C30D O2D C4D C5D . . . . -85.0(4) ?
    C3D C4D C5D C6D . . . . 0.9(5) ?
    O2D C4D C5D C6D . . . . -178.3(3) ?
    C3D C4D C5D C7D . . . . 176.4(3) ?
    O2D C4D C5D C7D . . . . -2.7(5) ?
    C2D C1D C6D C5D . . . . -0.1(5) ?
    C28D C1D C6D C5D . . . . 177.3(3) ?
    C4D C5D C6D C1D . . . . -0.4(5) ?
    C7D C5D C6D C1D . . . . -176.0(3) ?
    C6D C5D C7D C8D . . . . -42.2(4) ?
    C4D C5D C7D C8D . . . . 142.5(3) ?
    C6D C5D C7D C33D . . . . 84.7(4) ?
    C4D C5D C7D C33D . . . . -90.6(4) ?
    C5D C7D C8D C9D . . . . -67.1(4) ?
    C33D C7D C8D C9D . . . . 169.0(3) ?
    C5D C7D C8D C13D . . . . 113.6(3) ?
    C33D C7D C8D C13D . . . . -10.3(4) ?
    C41D O5D C9D C10D . . . . -8.7(5) ?
    C41D O5D C9D C8D . . . . 172.1(3) ?
    C13D C8D C9D O5D . . . . -178.9(3) ?
    C7D C8D C9D O5D . . . . 1.8(4) ?
    C13D C8D C9D C10D . . . . 1.9(5) ?
    C7D C8D C9D C10D . . . . -177.4(3) ?
    O5D C9D C10D C11D . . . . -179.3(3) ?
    C8D C9D C10D C11D . . . . -0.1(5) ?
    C9D C10D C11D C12D . . . . -1.2(5) ?
    C9D C10D C11D O6D . . . . 175.3(3) ?
    C42D O6D C11D C12D . . . . -117.5(3) ?
    C42D O6D C11D C10D . . . . 66.0(4) ?
    C10D C11D C12D C13D . . . . 0.6(5) ?
    O6D C11D C12D C13D . . . . -175.8(3) ?
    C10D C11D C12D C14D . . . . -177.5(3) ?
    O6D C11D C12D C14D . . . . 6.0(5) ?
    C11D C12D C13D C8D . . . . 1.2(5) ?
    C14D C12D C13D C8D . . . . 179.3(3) ?
    C9D C8D C13D C12D . . . . -2.4(5) ?
    C7D C8D C13D C12D . . . . 176.9(3) ?
    C11D C12D C14D C15D . . . . 62.6(4) ?
    C13D C12D C14D C15D . . . . -115.4(4) ?
    C11D C12D C14D C45D . . . . -170.4(3) ?
    C13D C12D C14D C45D . . . . 11.6(5) ?
    C45D C14D C15D C20D . . . . -79.5(4) ?
    C12D C14D C15D C20D . . . . 47.5(4) ?
    C45D C14D C15D C16D . . . . 105.2(4) ?
    C12D C14D C15D C16D . . . . -127.7(3) ?
    C53D O9D C16D C17D . . . . 1.4(6) ?
    C53D O9D C16D C15D . . . . -179.8(4) ?
    C20D C15D C16D O9D . . . . 178.9(3) ?
    C14D C15D C16D O9D . . . . -5.7(5) ?
    C20D C15D C16D C17D . . . . -2.3(5) ?
    C14D C15D C16D C17D . . . . 173.2(3) ?
    O9D C16D C17D C18D . . . . 178.9(4) ?
    C15D C16D C17D C18D . . . . 0.1(6) ?
    C54D O10D C18D C19D . . . . -151.7(4) ?
    C54D O10D C18D C17D . . . . 28.7(6) ?
    C16D C17D C18D O10D . . . . -178.0(4) ?
    C16D C17D C18D C19D . . . . 2.3(6) ?
    O10D C18D C19D C20D . . . . 178.0(3) ?
    C17D C18D C19D C20D . . . . -2.4(5) ?
    O10D C18D C19D C21D . . . . -3.3(5) ?
    C17D C18D C19D C21D . . . . 176.4(3) ?
    C18D C19D C20D C15D . . . . 0.0(5) ?
    C21D C19D C20D C15D . . . . -178.7(3) ?
    C16D C15D C20D C19D . . . . 2.2(5) ?
    C14D C15D C20D C19D . . . . -173.2(3) ?
    C20D C19D C21D C22D . . . . -50.8(4) ?
    C18D C19D C21D C22D . . . . 130.5(3) ?
    C20D C19D C21D C57D . . . . 75.9(4) ?
    C18D C19D C21D C57D . . . . -102.8(4) ?
    C19D C21D C22D C27D . . . . 114.1(4) ?
    C57D C21D C22D C27D . . . . -11.0(5) ?
    C19D C21D C22D C23D . . . . -66.7(4) ?
    C57D C21D C22D C23D . . . . 168.3(3) ?
    C65D O13D C23D C24D . . . . -9.9(5) ?
    C65D O13D C23D C22D . . . . 171.0(3) ?
    C27D C22D C23D O13D . . . . -177.7(3) ?
    C21D C22D C23D O13D . . . . 2.9(5) ?
    C27D C22D C23D C24D . . . . 3.2(5) ?
    C21D C22D C23D C24D . . . . -176.1(3) ?
    O13D C23D C24D C25D . . . . 179.9(3) ?
    C22D C23D C24D C25D . . . . -1.1(5) ?
    C66D O14D C25D C24D . . . . 15.7(5) ?
    C66D O14D C25D C26D . . . . -163.0(3) ?
    C23D C24D C25D O14D . . . . 179.2(3) ?
    C23D C24D C25D C26D . . . . -2.2(5) ?
    O14D C25D C26D C27D . . . . -178.3(3) ?
    C24D C25D C26D C27D . . . . 3.1(5) ?
    O14D C25D C26D C28D . . . . 4.3(5) ?
    C24D C25D C26D C28D . . . . -174.3(3) ?
    C23D C22D C27D C26D . . . . -2.3(5) ?
    C21D C22D C27D C26D . . . . 177.0(3) ?
    C25D C26D C27D C22D . . . . -0.8(5) ?
    C28D C26D C27D C22D . . . . 176.5(3) ?
    C6D C1D C28D C26D . . . . 46.8(4) ?
    C2D C1D C28D C26D . . . . -136.0(3) ?
    C6D C1D C28D C69D . . . . -78.9(4) ?
    C2D C1D C28D C69D . . . . 98.3(4) ?
    C27D C26D C28D C1D . . . . -114.1(4) ?
    C25D C26D C28D C1D . . . . 63.1(4) ?
    C27D C26D C28D C69D . . . . 7.2(5) ?
    C25D C26D C28D C69D . . . . -175.6(3) ?
    C4D O2D C30D C31D . . . . -80.3(4) ?
    C32D O4D C31D O3D . . . . 1.5(7) ?
    C32D O4D C31D C30D . . . . 178.8(4) ?
    O2D C30D C31D O3D . . . . -28.2(6) ?
    O2D C30D C31D O4D . . . . 154.6(3) ?
    C5D C7D C33D C34D . . . . 166.2(3) ?
    C8D C7D C33D C34D . . . . -68.6(4) ?
    C7D C33D C34D C35D . . . . 176.3(3) ?
    C33D C34D C35D C40D . . . . -91.3(4) ?
    C33D C34D C35D C36D . . . . 86.7(4) ?
    C40D C35D C36D C37D . . . . 1.7(6) ?
    C34D C35D C36D C37D . . . . -176.3(4) ?
    C35D C36D C37D C38D . . . . -1.6(7) ?
    C36D C37D C38D C39D . . . . 0.7(7) ?
    C37D C38D C39D C40D . . . . 0.2(7) ?
    C36D C35D C40D C39D . . . . -0.9(6) ?
    C34D C35D C40D C39D . . . . 177.1(4) ?
    C38D C39D C40D C35D . . . . 0.0(7) ?
    C11D O6D C42D C43D . . . . 179.3(3) ?
    C44D O8D C43D O7D . . . . -0.5(7) ?
    C44D O8D C43D C42D . . . . 175.7(4) ?
    O6D C42D C43D O7D . . . . -158.3(4) ?
    O6D C42D C43D O8D . . . . 25.4(5) ?
    C15D C14D C45D C46D . . . . -65.7(4) ?
    C12D C14D C45D C46D . . . . 169.8(3) ?
    C14D C45D C46D C47D . . . . -168.0(4) ?
    C45D C46D C47D C48D . . . . 71.6(5) ?
    C45D C46D C47D C52D . . . . -110.0(4) ?
    C52D C47D C48D C49D . . . . -1.5(6) ?
    C46D C47D C48D C49D . . . . 177.1(4) ?
    C47D C48D C49D C50D . . . . 0.9(8) ?
    C48D C49D C50D C51D . . . . -0.9(7) ?
    C49D C50D C51D C52D . . . . 1.5(7) ?
    C48D C47D C52D C51D . . . . 2.1(6) ?
    C46D C47D C52D C51D . . . . -176.4(4) ?
    C50D C51D C52D C47D . . . . -2.1(6) ?
    C18D O10D C54D C55D . . . . -94.1(5) ?
    C56D O12D C55D O11D . . . . -3.1(10) ?
    C56D O12D C55D C54D . . . . -178.8(6) ?
    O10D C54D C55D O11D . . . . -170.8(6) ?
    O10D C54D C55D O12D . . . . 4.9(7) ?
    C22D C21D C57D C58D . . . . -166.4(4) ?
    C19D C21D C57D C58D . . . . 67.8(4) ?
    C21D C57D C58D C59D . . . . -170.4(4) ?
    C57D C58D C59D C64D . . . . 116.8(5) ?
    C57D C58D C59D C60D . . . . -63.1(6) ?
    C64D C59D C60D C61D . . . . 1.2(9) ?
    C58D C59D C60D C61D . . . . -178.9(6) ?
    C59D C60D C61D C62D . . . . -3.1(11) ?
    C60D C61D C62D C63D . . . . 3.4(11) ?
    C61D C62D C63D C64D . . . . -2.0(10) ?
    C60D C59D C64D C63D . . . . 0.2(8) ?
    C58D C59D C64D C63D . . . . -179.7(4) ?
    C62D C63D C64D C59D . . . . 0.3(9) ?
    C25D O14D C66D C67D . . . . 172.7(3) ?
    C68D O16D C67D O15D . . . . -4.3(7) ?
    C68D O16D C67D C66D . . . . 170.9(4) ?
    O14D C66D C67D O15D . . . . -155.8(5) ?
    O14D C66D C67D O16D . . . . 28.9(6) ?
    C1D C28D C69D C70D . . . . -167.6(3) ?
    C26D C28D C69D C70D . . . . 70.5(4) ?
    C28D C69D C70D C71D . . . . 178.8(3) ?
    C69D C70D C71D C72D . . . . -90.2(5) ?
    C69D C70D C71D C76D . . . . 84.1(5) ?
    C76D C71D C72D C73D . . . . -1.6(8) ?
    C70D C71D C72D C73D . . . . 172.8(5) ?
    C71D C72D C73D C74D . . . . 2.0(10) ?
    C72D C73D C74D C75D . . . . -1.0(13) ?
    C73D C74D C75D C76D . . . . -0.5(13) ?
    C74D C75D C76D C71D . . . . 0.9(10) ?
    C72D C71D C76D C75D . . . . 0.2(8) ?
    C70D C71D C76D C75D . . . . -174.3(5) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C14B H14B O16A 1_565 1.00 2.59 3.440(4) 142
    C30B H30C O11A 1_565 0.99 2.49 3.464(6) 169
    C30C H30F O8D 2_647 0.99 2.55 3.259(4) 128
    C30D H30G O8C 2_657 0.99 2.56 3.270(5) 129
    C44A H44B O10B 2_746 0.98 2.54 3.292(5) 133
    C56C H56H O7B 2_747 0.98 2.55 3.375(9) 141
    C56D H56K O15A 2_757 0.98 2.37 3.251(8) 149
    C62C H62C O7C 1_655 0.95 2.46 3.313(6) 149
    C62D H62D O7D 1_655 0.95 2.59 3.421(7) 146
    C63A H63A O3B 1_445 0.95 2.37 3.267(7) 156
data_global
_journal_date_recd_electronic     2011-10-27
_journal_date_accepted     2011-11-30
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue      1
_journal_page_first     o97
_journal_page_last     o98
_journal_paper_category     QO
_journal_paper_doi     10.1107/S1600536811051567
_journal_coeditor_code     HG5129
_publ_contact_author_name     'Glenn E. M. Maguire'
_publ_contact_author_address
;
School of Chemistry, University of KwaZulu-Natal, Durban 4000, South Africa
;
_publ_contact_author_email     'maguireg@ukzn.ac.za'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;\
6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]-2,8,14,\
20-tetrakis(2-phenylethyl)resorcin[4]arene
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Pansuriya, Pramod B.' .
;
School of Chemistry, University of KwaZulu-Natal, Durban 4000, South Africa
;
    'Friedrich, Holger B.' .
;
School of Chemistry, University of KwaZulu-Natal, Durban 4000, South Africa
;
    'Maguire, Glenn E. M.' .
;
School of Chemistry, University of KwaZulu-Natal, Durban 4000, South Africa
;
