
data_u120629mas1 
_chemical_name_systematic               ?
_chemical_name_common                   u120629mas1
_chemical_formula_moiety                ?
_chemical_formula_sum                   'C29 H38 N4 O7'
_chemical_formula_iupac                 ?
_chemical_formula_weight                554.63
_chemical_absolute_configuration        rm

_chemical_melting_point                 ?

_space_group_crystal_system             orthorhombic
_space_group_name_H-M_alt               'P 21 21 21'
_space_group_name_Hall                  'P 2ac 2ab'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x+1/2, -y+1/2, -z'

_cell_length_a                          5.08210(10)
_cell_length_b                          20.4894(4)
_cell_length_c                          27.7848(5)
_cell_angle_alpha                       90
_cell_angle_beta                        90
_cell_angle_gamma                       90
_cell_volume                            2893.21(10)
_cell_formula_units_Z                   4
_cell_measurement_reflns_used           ?
_cell_measurement_theta_min             ?
_cell_measurement_theta_max             ?
_cell_measurement_temperature           120

_exptl_crystal_description              plate
_exptl_crystal_colour                   colourless
_exptl_crystal_size_max                 0.200
_exptl_crystal_size_mid                 0.100
_exptl_crystal_size_min                 0.050
_exptl_crystal_density_diffrn           1.273
_exptl_crystal_density_meas             ?
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    1184

_exptl_absorpt_coefficient_mu           0.754
_exptl_absorpt_correction_type          empirical
_exptl_absorpt_process_details          'SADABS (Sheldrick 1996)'
_exptl_absorpt_correction_T_min         0.86
_exptl_absorpt_correction_T_max         0.96

_exptl_special_details                  'SADABS (Sheldrick 1996)' 

_diffrn_ambient_temperature             120

_diffrn_source                          'Bruker TXS fine-focus rotating anode'
_diffrn_source_type                     ?

_diffrn_radiation_type                  CuK\a
_diffrn_radiation_wavelength            1.54178
_diffrn_radiation_monochromator         
    'Bruker Helios multilayer confocal mirror'

_diffrn_measurement_device_type         
    'Bruker APEXII Ultra CCD area detector'
_diffrn_measurement_method              'Phi and Omega scans'

_diffrn_detector_area_resol_mean        ?

_diffrn_reflns_number                   11548
_diffrn_reflns_av_R_equivalents         0.0221
_diffrn_reflns_av_unetI/netI            0.0245
_diffrn_reflns_theta_min                2.679
_diffrn_reflns_theta_max                67.994
_diffrn_reflns_theta_full               67.000
_diffrn_measured_fraction_theta_max     0.970
_diffrn_measured_fraction_theta_full    0.984
_diffrn_reflns_limit_h_min              -4
_diffrn_reflns_limit_h_max              5
_diffrn_reflns_limit_k_min              -19
_diffrn_reflns_limit_k_max              23
_diffrn_reflns_limit_l_min              -33
_diffrn_reflns_limit_l_max              31

_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 > 2sigma(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                    4955
_reflns_number_gt                       4854
_reflns_threshold_expression            'I > 2σ(I)'

_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_R_factor_all                 0.0298
_refine_ls_R_factor_gt                  0.0291
_refine_ls_wR_factor_gt                 0.0774
_refine_ls_wR_factor_ref                0.0778
_refine_ls_goodness_of_fit_ref          1.099
_refine_ls_restrained_S_all             1.099
_refine_ls_number_reflns                4955
_refine_ls_number_parameters            369
_refine_ls_number_restraints            0
_refine_ls_hydrogen_treatment           constr
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details            
    'w=1/[σ²(Fo²)+(0.0401P)²+0.5185P] 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                0.171
_refine_diff_density_min                -0.125
_refine_ls_extinction_method            none
_refine_ls_extinction_coef              ?
_refine_ls_abs_structure_details        
;
Flack x determined using 1913 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack          -0.10(5)

loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection              'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement              'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction               'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution           'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement         'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics           'XSHEL (Bruker AXS,2002)'
_computing_publication_material         'XCIF (Bruker AXS, 2001)'

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_adp
    _atom_site_refinement_flags_occupancy
    _atom_site_refinement_flags_posn
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1 1.3447(4) 0.85344(9) 0.13972(6) 0.0235(4) Uani d . . . 1 . .
    C C2 1.5286(4) 0.85215(9) 0.10181(6) 0.0248(4) Uani d . . . 1 . .
    H H2 1.5385 0.8157 0.0807 0.03 Uiso calc U . R 1 . .
    C C3 1.6928(4) 0.90462(9) 0.09604(6) 0.0236(4) Uani d . . . 1 . .
    C C4 1.6739(4) 0.95823(9) 0.12855(6) 0.0222(4) Uani d . . . 1 . .
    C C5 1.8393(4) 1.01315(9) 0.12582(6) 0.0249(4) Uani d . . . 1 . .
    H H5 1.9766 1.0148 0.1026 0.03 Uiso calc U . R 1 . .
    C C6 1.8013(4) 1.06429(9) 0.15684(6) 0.0268(4) Uani d . . . 1 . .
    H H6A 1.9126 1.1014 0.1547 0.032 Uiso calc U . R 1 . .
    C C7 1.6007(4) 1.06300(10) 0.19183(7) 0.0275(4) Uani d . . . 1 . .
    H H7 1.5747 1.0996 0.2123 0.033 Uiso calc U . R 1 . .
    C C8 1.4424(4) 1.00891(9) 0.19641(6) 0.0228(4) Uani d . . . 1 . .
    C C9 1.4755(4) 0.95455(9) 0.16448(6) 0.0219(4) Uani d . . . 1 . .
    C C10 1.1704(4) 0.79436(9) 0.14514(6) 0.0250(4) Uani d . . . 1 . .
    C C11 0.8162(5) 0.74601(11) 0.18527(8) 0.0352(5) Uani d . . . 1 . .
    H H11A 0.7417 0.7327 0.1543 0.053 Uiso calc U . R 1 . .
    H H11B 0.6735 0.7578 0.2074 0.053 Uiso calc U . R 1 . .
    H H11C 0.9178 0.7098 0.1989 0.053 Uiso calc U . R 1 . .
    C C12 1.9180(4) 0.85827(9) 0.02851(7) 0.0253(4) Uani d . . . 1 . .
    H H12A 1.7501 0.8466 0.0126 0.03 Uiso calc U . R 1 . .
    H H12B 1.9833 0.8195 0.0461 0.03 Uiso calc U . R 1 . .
    C C13 2.1178(4) 0.87941(9) -0.00875(7) 0.0260(4) Uani d . . . 1 . .
    H H13 2.2748 0.8975 0.0084 0.031 Uiso calc U . R 1 . .
    C C14 2.0072(5) 0.93233(11) -0.04147(7) 0.0378(5) Uani d . . . 1 . .
    H H14A 1.8538 0.9153 -0.0588 0.057 Uiso calc U . R 1 . .
    H H14B 2.1421 0.9457 -0.0647 0.057 Uiso calc U . R 1 . .
    H H14C 1.9545 0.97 -0.022 0.057 Uiso calc U . R 1 . .
    C C15 2.2050(5) 0.81975(11) -0.03768(8) 0.0392(5) Uani d . . . 1 . .
    H H15A 2.2799 0.7871 -0.0159 0.059 Uiso calc U . R 1 . .
    H H15B 2.338 0.8329 -0.0613 0.059 Uiso calc U . R 1 . .
    H H15C 2.0528 0.8011 -0.0544 0.059 Uiso calc U . R 1 . .
    C C16 1.1493(4) 1.04918(10) 0.26094(7) 0.0284(4) Uani d . . . 1 . .
    C C17 0.9336(4) 1.02601(10) 0.29263(7) 0.0274(4) Uani d . . . 1 . .
    C C18 0.7971(5) 1.06185(11) 0.32455(8) 0.0386(5) Uani d . . . 1 . .
    H H18 0.8235 1.1068 0.3314 0.046 Uiso calc U . R 1 . .
    C C19 0.6531(4) 0.96277(10) 0.32430(6) 0.0264(4) Uani d . . . 1 . .
    C C20 0.4764(4) 0.90860(10) 0.34085(6) 0.0283(4) Uani d . . . 1 . .
    H H20 0.2911 0.9224 0.3342 0.034 Uiso calc U . R 1 . .
    C C21 0.5258(5) 0.84585(10) 0.31283(7) 0.0336(5) Uani d . . . 1 . .
    H H21A 0.7119 0.8328 0.3171 0.04 Uiso calc U . R 1 . .
    H H21B 0.4968 0.8543 0.2782 0.04 Uiso calc U . R 1 . .
    C C22 0.3469(5) 0.78888(11) 0.32879(7) 0.0374(5) Uani d . . . 1 . .
    H H22 0.1861 0.8081 0.3439 0.045 Uiso calc U . R 1 . .
    C C23 0.2590(7) 0.74812(13) 0.28656(9) 0.0529(7) Uani d . . . 1 . .
    H H23A 0.4115 0.7259 0.2725 0.079 Uiso calc U . R 1 . .
    H H23B 0.1779 0.7764 0.2623 0.079 Uiso calc U . R 1 . .
    H H23C 0.1306 0.7156 0.2974 0.079 Uiso calc U . R 1 . .
    C C24 0.4785(7) 0.74578(14) 0.36602(10) 0.0589(8) Uani d . . . 1 . .
    H H24A 0.3512 0.7139 0.3782 0.088 Uiso calc U . R 1 . .
    H H24B 0.5424 0.7728 0.3927 0.088 Uiso calc U . R 1 . .
    H H24C 0.627 0.7228 0.3512 0.088 Uiso calc U . R 1 . .
    C C25 0.2922(4) 0.89797(10) 0.42193(7) 0.0256(4) Uani d . . . 1 . .
    C C26 0.1750(4) 0.87981(10) 0.50632(7) 0.0266(4) Uani d . . . 1 . .
    C C27 0.3461(4) 0.86421(11) 0.54984(7) 0.0331(5) Uani d . . . 1 . .
    H H27A 0.4236 0.8207 0.546 0.05 Uiso calc U . R 1 . .
    H H27B 0.2381 0.8651 0.579 0.05 Uiso calc U . R 1 . .
    H H27C 0.4868 0.8967 0.5525 0.05 Uiso calc U . R 1 . .
    C C28 0.0326(5) 0.94436(11) 0.51335(8) 0.0375(5) Uani d . . . 1 . .
    H H28A 0.1618 0.9792 0.5183 0.056 Uiso calc U . R 1 . .
    H H28B -0.0827 0.9414 0.5415 0.056 Uiso calc U . R 1 . .
    H H28C -0.073 0.9541 0.4847 0.056 Uiso calc U . R 1 . .
    C C29 -0.0075(4) 0.82266(10) 0.49637(7) 0.0295(4) Uani d . . . 1 . .
    H H29A -0.1346 0.8349 0.4714 0.044 Uiso calc U . R 1 . .
    H H29B -0.1015 0.811 0.5259 0.044 Uiso calc U . R 1 . .
    H H29C 0.096 0.7852 0.4853 0.044 Uiso calc U . R 1 . .
    N N1 1.3138(3) 0.90220(7) 0.17008(5) 0.0232(3) Uani d . . . 1 . .
    N N2 1.2450(3) 1.00187(8) 0.23125(5) 0.0250(4) Uani d . . . 1 . .
    H H2A 1.1755 0.9627 0.2343 0.03 Uiso calc U . R 1 . .
    N N3 0.8397(3) 0.96233(8) 0.29290(5) 0.0250(3) Uani d . . . 1 . .
    N N4 0.5032(3) 0.90121(8) 0.39275(6) 0.0275(4) Uani d . . . 1 . .
    H H4 0.6618 0.8988 0.4054 0.033 Uiso calc U . R 1 . .
    O O1 0.9871(3) 0.80180(6) 0.17827(5) 0.0295(3) Uani d . . . 1 . .
    O O2 1.1989(3) 0.74562(7) 0.12130(6) 0.0400(4) Uani d . . . 1 . .
    O O3 1.8777(3) 0.91143(6) 0.06133(5) 0.0269(3) Uani d . . . 1 . .
    O O4 1.2266(3) 1.10526(7) 0.26238(5) 0.0408(4) Uani d . . . 1 . .
    O O5 0.6142(3) 1.02219(7) 0.34532(5) 0.0383(4) Uani d . . . 1 . .
    O O6 0.0651(3) 0.90424(8) 0.40877(5) 0.0350(4) Uani d . . . 1 . .
    O O7 0.3710(3) 0.88633(7) 0.46741(4) 0.0258(3) Uani d . . . 1 . .


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

loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1 N1 . 1.317(2) ?
    C1 C2 . 1.408(3) ?
    C1 C10 . 1.508(3) ?
    C2 C3 . 1.371(3) ?
    C2 H2 . 0.95 ?
    C3 O3 . 1.354(2) ?
    C3 C4 . 1.425(3) ?
    C4 C5 . 1.407(3) ?
    C4 C9 . 1.421(3) ?
    C5 C6 . 1.370(3) ?
    C5 H5 . 0.95 ?
    C6 C7 . 1.409(3) ?
    C6 H6A . 0.95 ?
    C7 C8 . 1.375(3) ?
    C7 H7 . 0.95 ?
    C8 N2 . 1.401(2) ?
    C8 C9 . 1.434(3) ?
    C9 N1 . 1.360(2) ?
    C10 O2 . 1.207(2) ?
    C10 O1 . 1.319(2) ?
    C11 O1 . 1.449(2) ?
    C11 H11A . 0.98 ?
    C11 H11B . 0.98 ?
    C11 H11C . 0.98 ?
    C12 O3 . 1.435(2) ?
    C12 C13 . 1.513(3) ?
    C12 H12A . 0.99 ?
    C12 H12B . 0.99 ?
    C13 C14 . 1.523(3) ?
    C13 C15 . 1.529(3) ?
    C13 H13 . 1.0 ?
    C14 H14A . 0.98 ?
    C14 H14B . 0.98 ?
    C14 H14C . 0.98 ?
    C15 H15A . 0.98 ?
    C15 H15B . 0.98 ?
    C15 H15C . 0.98 ?
    C16 O4 . 1.215(3) ?
    C16 N2 . 1.363(3) ?
    C16 C17 . 1.484(3) ?
    C17 C18 . 1.344(3) ?
    C17 N3 . 1.390(3) ?
    C18 O5 . 1.363(3) ?
    C18 H18 . 0.95 ?
    C19 N3 . 1.289(3) ?
    C19 O5 . 1.365(2) ?
    C19 C20 . 1.500(3) ?
    C20 N4 . 1.456(2) ?
    C20 C21 . 1.524(3) ?
    C20 H20 . 1.0 ?
    C21 C22 . 1.544(3) ?
    C21 H21A . 0.99 ?
    C21 H21B . 0.99 ?
    C22 C23 . 1.508(3) ?
    C22 C24 . 1.516(3) ?
    C22 H22 . 1.0 ?
    C23 H23A . 0.98 ?
    C23 H23B . 0.98 ?
    C23 H23C . 0.98 ?
    C24 H24A . 0.98 ?
    C24 H24B . 0.98 ?
    C24 H24C . 0.98 ?
    C25 O6 . 1.217(3) ?
    C25 N4 . 1.346(3) ?
    C25 O7 . 1.347(2) ?
    C26 O7 . 1.476(2) ?
    C26 C29 . 1.519(3) ?
    C26 C28 . 1.520(3) ?
    C26 C27 . 1.523(3) ?
    C27 H27A . 0.98 ?
    C27 H27B . 0.98 ?
    C27 H27C . 0.98 ?
    C28 H28A . 0.98 ?
    C28 H28B . 0.98 ?
    C28 H28C . 0.98 ?
    C29 H29A . 0.98 ?
    C29 H29B . 0.98 ?
    C29 H29C . 0.98 ?
    N2 H2A . 0.88 ?
    N4 H4 . 0.88 ?

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
    N1 C1 C2 . . 124.92(17) ?
    N1 C1 C10 . . 118.36(16) ?
    C2 C1 C10 . . 116.71(16) ?
    C3 C2 C1 . . 118.48(16) ?
    C3 C2 H2 . . 120.8 ?
    C1 C2 H2 . . 120.8 ?
    O3 C3 C2 . . 125.94(16) ?
    O3 C3 C4 . . 114.76(16) ?
    C2 C3 C4 . . 119.30(17) ?
    C5 C4 C9 . . 120.29(16) ?
    C5 C4 C3 . . 122.83(17) ?
    C9 C4 C3 . . 116.88(17) ?
    C6 C5 C4 . . 119.56(17) ?
    C6 C5 H5 . . 120.2 ?
    C4 C5 H5 . . 120.2 ?
    C5 C6 C7 . . 121.45(18) ?
    C5 C6 H6A . . 119.3 ?
    C7 C6 H6A . . 119.3 ?
    C8 C7 C6 . . 120.14(17) ?
    C8 C7 H7 . . 119.9 ?
    C6 C7 H7 . . 119.9 ?
    C7 C8 N2 . . 124.43(17) ?
    C7 C8 C9 . . 120.01(17) ?
    N2 C8 C9 . . 115.55(16) ?
    N1 C9 C4 . . 123.43(16) ?
    N1 C9 C8 . . 118.11(16) ?
    C4 C9 C8 . . 118.47(16) ?
    O2 C10 O1 . . 124.31(18) ?
    O2 C10 C1 . . 122.61(18) ?
    O1 C10 C1 . . 113.07(15) ?
    O1 C11 H11A . . 109.5 ?
    O1 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    O1 C11 H11C . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
    O3 C12 C13 . . 108.24(15) ?
    O3 C12 H12A . . 110.1 ?
    C13 C12 H12A . . 110.1 ?
    O3 C12 H12B . . 110.1 ?
    C13 C12 H12B . . 110.1 ?
    H12A C12 H12B . . 108.4 ?
    C12 C13 C14 . . 111.38(17) ?
    C12 C13 C15 . . 108.98(17) ?
    C14 C13 C15 . . 111.24(17) ?
    C12 C13 H13 . . 108.4 ?
    C14 C13 H13 . . 108.4 ?
    C15 C13 H13 . . 108.4 ?
    C13 C14 H14A . . 109.5 ?
    C13 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    C13 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    C13 C15 H15A . . 109.5 ?
    C13 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    C13 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    O4 C16 N2 . . 125.25(19) ?
    O4 C16 C17 . . 121.46(18) ?
    N2 C16 C17 . . 113.28(17) ?
    C18 C17 N3 . . 109.40(18) ?
    C18 C17 C16 . . 126.72(19) ?
    N3 C17 C16 . . 123.88(17) ?
    C17 C18 O5 . . 107.80(19) ?
    C17 C18 H18 . . 126.1 ?
    O5 C18 H18 . . 126.1 ?
    N3 C19 O5 . . 113.75(17) ?
    N3 C19 C20 . . 130.01(18) ?
    O5 C19 C20 . . 116.23(16) ?
    N4 C20 C19 . . 108.93(16) ?
    N4 C20 C21 . . 113.74(17) ?
    C19 C20 C21 . . 111.66(16) ?
    N4 C20 H20 . . 107.4 ?
    C19 C20 H20 . . 107.4 ?
    C21 C20 H20 . . 107.4 ?
    C20 C21 C22 . . 113.20(18) ?
    C20 C21 H21A . . 108.9 ?
    C22 C21 H21A . . 108.9 ?
    C20 C21 H21B . . 108.9 ?
    C22 C21 H21B . . 108.9 ?
    H21A C21 H21B . . 107.8 ?
    C23 C22 C24 . . 109.8(2) ?
    C23 C22 C21 . . 111.68(18) ?
    C24 C22 C21 . . 112.1(2) ?
    C23 C22 H22 . . 107.7 ?
    C24 C22 H22 . . 107.7 ?
    C21 C22 H22 . . 107.7 ?
    C22 C23 H23A . . 109.5 ?
    C22 C23 H23B . . 109.5 ?
    H23A C23 H23B . . 109.5 ?
    C22 C23 H23C . . 109.5 ?
    H23A C23 H23C . . 109.5 ?
    H23B C23 H23C . . 109.5 ?
    C22 C24 H24A . . 109.5 ?
    C22 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C22 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    O6 C25 N4 . . 124.70(18) ?
    O6 C25 O7 . . 125.60(18) ?
    N4 C25 O7 . . 109.70(16) ?
    O7 C26 C29 . . 110.38(15) ?
    O7 C26 C28 . . 109.66(16) ?
    C29 C26 C28 . . 113.80(17) ?
    O7 C26 C27 . . 102.43(15) ?
    C29 C26 C27 . . 109.35(17) ?
    C28 C26 C27 . . 110.62(17) ?
    C26 C27 H27A . . 109.5 ?
    C26 C27 H27B . . 109.5 ?
    H27A C27 H27B . . 109.5 ?
    C26 C27 H27C . . 109.5 ?
    H27A C27 H27C . . 109.5 ?
    H27B C27 H27C . . 109.5 ?
    C26 C28 H28A . . 109.5 ?
    C26 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    C26 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    C26 C29 H29A . . 109.5 ?
    C26 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    C26 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
    C1 N1 C9 . . 116.94(16) ?
    C16 N2 C8 . . 126.90(17) ?
    C16 N2 H2A . . 116.5 ?
    C8 N2 H2A . . 116.5 ?
    C19 N3 C17 . . 104.47(16) ?
    C25 N4 C20 . . 121.79(16) ?
    C25 N4 H4 . . 119.1 ?
    C20 N4 H4 . . 119.1 ?
    C10 O1 C11 . . 115.20(15) ?
    C3 O3 C12 . . 118.26(15) ?
    C18 O5 C19 . . 104.57(16) ?
    C25 O7 C26 . . 120.18(15) ?



