data_4
_audit_creation_date               2025-06-08
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number       '2019/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C79 H101 Ge N3'
_chemical_formula_sum              'C79 H101 Ge N3'
_chemical_formula_weight           1165.21
_chemical_melting_point            ?
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'
 'Ge' 'Ge' -1.0885 0.8855
 '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'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     14.9984(2)
_cell_length_b                     15.2702(2)
_cell_length_c                     31.3024(3)
_cell_angle_alpha                  90
_cell_angle_beta                   103.8300(10)
_cell_angle_gamma                  90
_cell_volume                       6961.30(15)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      37801
_cell_measurement_temperature      150.00(10)
_cell_measurement_theta_max        76.3470
_cell_measurement_theta_min        3.0090
_shelx_estimated_absorpt_T_max     0.898
_shelx_estimated_absorpt_T_min     0.868
_exptl_absorpt_coefficient_mu      0.912
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.85339
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.73a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              violet
_exptl_crystal_colour_primary      violet
_exptl_crystal_density_diffrn      1.112
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               2512
_exptl_crystal_size_max            0.16
_exptl_crystal_size_mid            0.12
_exptl_crystal_size_min            0.12
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0868
_diffrn_reflns_av_unetI/netI       0.0532
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.990
_diffrn_reflns_limit_h_max         18
_diffrn_reflns_limit_h_min         -18
_diffrn_reflns_limit_k_max         19
_diffrn_reflns_limit_k_min         -19
_diffrn_reflns_limit_l_max         28
_diffrn_reflns_limit_l_min         -39
_diffrn_reflns_number              105395
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  0.990
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           76.637
_diffrn_reflns_theta_min           2.908
_diffrn_ambient_temperature        150.15
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.990
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     47.00 110.08   0.38    0.40    --  104.75-125.00-180.00  166
  2  ω     50.00  79.64   0.38    0.10    --   48.26-125.00-150.00   78
  3  ω     36.00 109.34   0.38    0.40    --  104.75-125.00 -30.00  193
  4  ω     56.00  94.00   0.38    0.40    --  104.75-109.00 -71.95  100
  5  ω     42.00  67.08   0.38    0.40    --  104.75-125.00  60.00   66
  6  ω     61.00 103.94   0.38    0.40    --  104.75-125.00 120.00  113
  7  ω     84.00 110.22   0.38    0.40    --  104.75-125.00 150.00   69
  8  ω     38.00  64.22   0.38    0.40    --  104.75-125.00 150.00   69
  9  ω     33.00  80.88   0.38    0.40    --  104.75 -95.00   0.00  126
 10  ω     58.00 105.12   0.38    0.40    --  104.75-105.00 -17.57  124
 11  ω     50.00 107.00   0.38    0.40    --  104.75-107.00-177.64  150
 12  ω     74.00 100.22   0.38    0.40    --  104.75 -95.00-180.00   69
 13  ω     34.00  70.10   0.38    0.40    --  104.75 -95.00-150.00   95
 14  ω     37.00  75.00   0.38    0.40    --  104.75-107.00-102.81  100
 15  ω     78.00 103.08   0.38    0.40    --  104.75 -77.00   0.00   66
 16  ω     73.00  99.22   0.38    0.40    --  104.75 -77.00-120.00   69
 17  ω    -25.00  25.16   0.38    0.10    --   48.26 -19.00 -30.00  132
 18  ω    -24.00   2.22   0.38    0.10    --   48.26 -15.00 124.00   69
 19  ω     43.00  69.22   0.38    0.40    --  104.75 -61.00 -30.00   69
 20  ω    109.00 176.64   0.38    0.40    --  104.75  15.00  30.00  178
 21  ω    138.00 176.00   0.38    0.40    --  104.75  30.00 -30.00  100
 22  ω     97.00 135.00   0.38    0.40    --  104.75  30.00 -30.00  100
 23  ω     98.00 128.40   0.38    0.40    --  104.75  15.00 -64.00   80
 24  ω    148.00 173.46   0.38    0.40    --  104.75  15.00 -64.00   67
 25  ω     83.00 175.72   0.38    0.40    --  104.75  77.00 -60.00  244
 26  ω     83.00 108.08   0.38    0.40    --  104.75  77.00-150.00   66
 27  ω    128.00 160.30   0.38    0.40    --  104.75  77.00-150.00   85
 28  ω     39.00 117.28   0.38    0.10    --   48.26  15.00 -64.00  206
 29  ω    -62.00  11.72   0.38    0.10    --  -48.26  57.00  30.00  194
 30  ω    -41.00  -6.80   0.38    0.10    --  -48.26  38.00-180.00   90
 31  ω    -41.00  17.14   0.38    0.10    --  -48.26  38.00 -90.00  153
 32  ω    -14.00  11.08   0.38    0.10    --  -48.26  15.00 -64.00   66
 33  ω    -24.00   7.16   0.38    0.10    --  -48.26  19.00 -30.00   82
 34  ω   -107.00 -37.84   0.38    0.40    -- -104.00 108.00  92.33  182
 35  ω   -127.00 -89.00   0.38    0.40    -- -104.00 146.00 171.85  100
 36  ω   -107.00 -73.94   0.38    0.40    -- -104.00 108.00  15.42   87
 37  ω   -111.00 -70.34   0.38    0.40    -- -104.00 125.00   0.00  107
 38  ω    -75.00 -35.86   0.38    0.40    -- -104.00 125.00-150.00  103
 39  ω   -103.00 -31.94   0.38    0.40    -- -104.00  77.00  30.00  187
 40  ω    -68.00 -32.28   0.38    0.40    -- -104.00  61.00  90.00   94
 41  ω    -69.00 -40.88   0.38    0.40    -- -104.00  61.00 120.00   74
 42  ω    -60.00 -33.78   0.38    0.40    -- -104.00  61.00  60.00   69
 43  ω    -94.00 -32.06   0.38    0.40    -- -104.00  77.00-180.00  163
 44  ω   -171.00-146.30   0.38    0.40    -- -104.00 -61.00  60.00   65
 45  ω   -174.00-107.12   0.38    0.40    -- -104.00 -15.00 124.00  176
 46  ω   -114.00 -40.66   0.38    0.10    --  -48.26 -15.00 124.00  193
 47  ω   -137.00-113.06   0.38    0.40    -- -104.00 -61.00  60.00   63
 48  ω   -175.00 -94.06   0.38    0.40    -- -104.00 -15.00-150.00  213
 49  ω   -140.00 -74.64   0.38    0.40    -- -104.00-125.00 -30.00  172
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  11777
_reflns_number_total               14488
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_collection         'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_reduction          'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.565
_refine_diff_density_min           -0.838
_refine_diff_density_rms           0.055
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.071
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1003
_refine_ls_number_reflns           14488
_refine_ls_number_restraints       327
_refine_ls_R_factor_all            0.0737
_refine_ls_R_factor_gt             0.0599
_refine_ls_restrained_S_all        1.064
_refine_ls_shift/su_max            0.002
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0488P)²+7.9822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1458
_refine_ls_wR_factor_ref           0.1534
_refine_special_details           
 'In the structure, C28 to C35, C36 to C43 and C57 to C64 groups exhibit a positional disorder, they were separated using PART 1 and PART 2 instructions and refined using free variables (FVAR). SAME instruction has been used to fix the disordered parts in reasonable shape and positions, RIGU and ISOR instruction to make the anisotropic displacement parameters of the disordered parts within reasonable limits. The occupancies of 0.491 (8):0.509(8) for C28 to C35, 0.783(8):0.217(8) for C36 to C43 and 0.179(8):0.821(8) for C65 to C72 have been determined for PART 1 and PART 2.'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C57) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C30A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
3. Rigid body (RIGU) restrains
 C28, C29, C30, C31, C32, C33, C34, C35, C36, C37, C38, C39, C40, C41, C42,
 C43, C57, C58, C59, C60, C61, C62, C63, C64, C28A, C29A, C30A, C31A, C32A,
 C33A, C34A, C35A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C57, C58, C59, C60, C61, C62, C63, C64, C28A, C29A, C30A, C31A, C32A, C33A,
 C34A, C35A, C36A, C37A, C38A, C39A, C40A, C41A, C42A, C43A, C57A, C58A, C59A,
 C60A, C61A, C62A, C63A, C64A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C36, C37, C38, C39, C40, C41, C42, C43, C57, C58, C59, C60, C61, C62, C63,
 C64, C28A, C29A, C30A, C31A, C32A, C33A, C34A, C35A, C36A, C37A, C38A, C39A,
 C40A, C41A, C42A, C43A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Same fragment restrains
{C57A, C58A, C59A, C60A, C61A, C62A, C63A, C64A} sigma for 1-2: 0.01, 1-3: 0.02
as in
{C57, C58, C59, C60, C61, C62, C63, C64}
{C36A, C37A, C38A, C39A, C40A, C41A, C42A, C43A} sigma for 1-2: 0.01, 1-3: 0.02
as in
{C36, C37, C38, C39, C40, C41, C42, C43}
{C28A, C29A, C30A, C31A, C32A, C33A, C34A, C35A} sigma for 1-2: 0.01, 1-3: 0.02
as in
{C28, C29, C30, C31, C32, C33, C34, C35}
5. Others
 Sof(C28A)=Sof(C29A)=Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30A)=Sof(H30D)=
 Sof(H30E)=Sof(H30F)=Sof(C31A)=Sof(H31C)=Sof(H31D)=Sof(C32A)=Sof(C33A)=
 Sof(H33D)=Sof(H33E)=Sof(H33F)=Sof(C34A)=Sof(H34D)=Sof(H34E)=Sof(H34F)=
 Sof(C35A)=Sof(H35C)=Sof(H35D)=1-FVAR(1)
 Sof(C28)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(H30A)=Sof(H30B)=
 Sof(H30C)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(C32)=Sof(C33)=Sof(H33A)=Sof(H33B)=
 Sof(H33C)=Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C35)=Sof(H35A)=Sof(H35B)=
 FVAR(1)
 Sof(C36A)=Sof(C37A)=Sof(H37D)=Sof(H37E)=Sof(H37F)=Sof(C38A)=Sof(H38D)=
 Sof(H38E)=Sof(H38F)=Sof(C39A)=Sof(H39C)=Sof(H39D)=Sof(C40A)=Sof(C41A)=
 Sof(H41D)=Sof(H41E)=Sof(H41F)=Sof(C42A)=Sof(H42D)=Sof(H42E)=Sof(H42F)=
 Sof(C43A)=Sof(H43C)=Sof(H43D)=1-FVAR(2)
 Sof(C36)=Sof(C37)=Sof(H37A)=Sof(H37B)=Sof(H37C)=Sof(C38)=Sof(H38A)=Sof(H38B)=
 Sof(H38C)=Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(C40)=Sof(C41)=Sof(H41A)=Sof(H41B)=
 Sof(H41C)=Sof(C42)=Sof(H42A)=Sof(H42B)=Sof(H42C)=Sof(C43)=Sof(H43A)=Sof(H43B)=
 FVAR(2)
 Sof(C57A)=Sof(C58A)=Sof(H58D)=Sof(H58E)=Sof(H58F)=Sof(C59A)=Sof(H59D)=
 Sof(H59E)=Sof(H59F)=Sof(C60A)=Sof(H60C)=Sof(H60D)=Sof(C61A)=Sof(C62A)=
 Sof(H62D)=Sof(H62E)=Sof(H62F)=Sof(C63A)=Sof(H63D)=Sof(H63E)=Sof(H63F)=
 Sof(C64A)=Sof(H64C)=Sof(H64D)=1-FVAR(3)
 Sof(C57)=Sof(C58)=Sof(H58A)=Sof(H58B)=Sof(H58C)=Sof(C59)=Sof(H59A)=Sof(H59B)=
 Sof(H59C)=Sof(C60)=Sof(H60A)=Sof(H60B)=Sof(C61)=Sof(C62)=Sof(H62A)=Sof(H62B)=
 Sof(H62C)=Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(H63C)=Sof(C64)=Sof(H64A)=Sof(H64B)=
 FVAR(3)
6.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C11(H11A,H11B), C68(H68A,H68B), C72(H72A,H72B), C31(H31A,H31B),
 C35(H35A,H35B), C39(H39A,H39B), C43(H43A,H43B), C60(H60A,H60B), C64(H64A,H64B),
  C31A(H31C,H31D), C35A(H35C,H35D), C39A(H39C,H39D), C43A(H43C,H43D), C60A(H60C,
 H60D), C64A(H64C,H64D)
6.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C17(H17), C20(H20), C23(H23), C26(H26), C46(H46), C49(H49), C52(H52),
 C55(H55)
6.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C66(H66A,H66B,H66C), C67(H67A,H67B,H67C), C70(H70A,H70B,H70C), C71(H71A,
 H71B,H71C), C76(H76A,H76B,H76C), C77(H77A,H77B,H77C), C78(H78A,H78B,H78C),
 C79(H79A,H79B,H79C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C41(H41A,
 H41B,H41C), C42(H42A,H42B,H42C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C),
 C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C29A(H29D,H29E,H29F), C30A(H30D,H30E,
 H30F), C33A(H33D,H33E,H33F), C34A(H34D,H34E,H34F), C37A(H37D,H37E,H37F),
 C38A(H38D,H38E,H38F), C41A(H41D,H41E,H41F), C42A(H42D,H42E,H42F), C58A(H58D,
 H58E,H58F), C59A(H59D,H59E,H59F), C62A(H62D,H62E,H62F), C63A(H63D,H63E,H63F)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Ge1 Ge 0.21771(2) 0.25369(2) 0.65188(2) 0.03906(11) Uani 1 1 d . . . . .
 N1 N 0.26341(15) 0.19300(14) 0.61527(6) 0.0301(4) Uani 1 1 d . . . . .
 N2 N 0.35124(17) 0.29155(16) 0.74037(7) 0.0375(5) Uani 1 1 d . . . . .
 N3 N 0.43398(16) 0.26259(16) 0.69513(7) 0.0379(5) Uani 1 1 d . . . . .
 C1 C 0.22711(15) 0.15142(16) 0.57642(7) 0.0239(5) Uani 1 1 d . . . . .
 C2 C 0.19854(15) 0.06267(16) 0.57484(7) 0.0243(5) Uani 1 1 d . . . . .
 C3 C 0.17600(15) 0.01577(16) 0.53573(7) 0.0253(5) Uani 1 1 d . . . . .
 C4 C 0.17535(16) 0.05543(17) 0.49558(7) 0.0261(5) Uani 1 1 d . . . . .
 H4 H 0.160073 0.023150 0.468876 0.031 Uiso 1 1 calc R U . . .
 C5 C 0.19785(15) 0.14408(16) 0.49585(7) 0.0245(5) Uani 1 1 d . . . . .
 C6 C 0.22314(15) 0.19102(16) 0.53492(7) 0.0230(4) Uani 1 1 d . . . . .
 C7 C 0.15834(18) -0.08302(18) 0.59244(8) 0.0319(5) Uani 1 1 d . . . . .
 H7A H 0.195731 -0.133295 0.606531 0.038 Uiso 1 1 calc R U . . .
 H7B H 0.095082 -0.090502 0.596188 0.038 Uiso 1 1 calc R U . . .
 C8 C 0.15721(17) -0.07967(17) 0.54277(8) 0.0287(5) Uani 1 1 d . . . . .
 C9 C 0.06501(19) -0.11067(19) 0.51428(9) 0.0372(6) Uani 1 1 d . . . . .
 H9A H 0.015388 -0.075295 0.520816 0.056 Uiso 1 1 calc R U . . .
 H9B H 0.055557 -0.172349 0.520638 0.056 Uiso 1 1 calc R U . . .
 H9C H 0.065051 -0.104207 0.483135 0.056 Uiso 1 1 calc R U . . .
 C10 C 0.23194(19) -0.13781(19) 0.53171(9) 0.0373(6) Uani 1 1 d . . . . .
 H10A H 0.231054 -0.131593 0.500454 0.056 Uiso 1 1 calc R U . . .
 H10B H 0.220415 -0.199063 0.538042 0.056 Uiso 1 1 calc R U . . .
 H10C H 0.292116 -0.119938 0.549571 0.056 Uiso 1 1 calc R U . . .
 C11 C 0.21324(17) 0.29319(17) 0.47567(7) 0.0286(5) Uani 1 1 d . . . . .
 H11A H 0.155087 0.326626 0.467569 0.034 Uiso 1 1 calc R U . . .
 H11B H 0.260023 0.324474 0.463891 0.034 Uiso 1 1 calc R U . . .
 C12 C 0.19872(16) 0.19958(17) 0.45604(7) 0.0268(5) Uani 1 1 d . . . . .
 C13 C 0.10717(18) 0.19465(18) 0.42140(8) 0.0329(5) Uani 1 1 d . . . . .
 H13A H 0.096064 0.134185 0.410992 0.049 Uiso 1 1 calc R U . . .
 H13B H 0.109692 0.232885 0.396576 0.049 Uiso 1 1 calc R U . . .
 H13C H 0.057271 0.213725 0.434521 0.049 Uiso 1 1 calc R U . . .
 C14 C 0.27573(19) 0.1716(2) 0.43454(9) 0.0369(6) Uani 1 1 d . . . . .
 H14A H 0.334895 0.175815 0.456086 0.055 Uiso 1 1 calc R U . . .
 H14B H 0.276108 0.210023 0.409513 0.055 Uiso 1 1 calc R U . . .
 H14C H 0.265517 0.110963 0.424245 0.055 Uiso 1 1 calc R U . . .
 C15 C 0.20023(16) 0.00458(17) 0.61448(7) 0.0271(5) Uani 1 1 d . . . . .
 C16 C 0.14800(17) 0.03470(17) 0.64841(7) 0.0278(5) Uani 1 1 d . . . . .
 C17 C 0.05595(17) 0.05291(17) 0.64301(8) 0.0282(5) Uani 1 1 d . . . . .
 H17 H 0.017099 0.053511 0.614182 0.034 Uiso 1 1 calc R U . . .
 C18 C 0.01810(17) 0.07061(17) 0.67909(8) 0.0278(5) Uani 1 1 d . . . . .
 C19 C 0.07605(18) 0.07110(19) 0.72168(8) 0.0333(6) Uani 1 1 d . . . . .
 C20 C 0.16957(18) 0.0540(2) 0.72674(8) 0.0352(6) Uani 1 1 d . . . . .
 H20 H 0.209270 0.055368 0.755364 0.042 Uiso 1 1 calc R U . . .
 C21 C 0.20565(17) 0.03512(18) 0.69101(8) 0.0308(5) Uani 1 1 d . . . . .
 C22 C 0.29874(17) 0.01089(18) 0.68809(8) 0.0305(5) Uani 1 1 d . . . . .
 C23 C 0.38058(18) 0.0037(2) 0.71997(8) 0.0351(6) Uani 1 1 d . . . . .
 H23 H 0.381537 0.016677 0.749757 0.042 Uiso 1 1 calc R U . . .
 C24 C 0.46150(18) -0.0223(2) 0.70894(8) 0.0347(6) Uani 1 1 d . . . . .
 C25 C 0.45955(17) -0.04105(18) 0.66486(8) 0.0322(5) Uani 1 1 d . . . . .
 C26 C 0.37678(17) -0.03028(18) 0.63279(8) 0.0317(5) Uani 1 1 d . . . . .
 H26 H 0.375965 -0.039976 0.602718 0.038 Uiso 1 1 calc R U . . .
 C27 C 0.29694(17) -0.00599(18) 0.64402(8) 0.0296(5) Uani 1 1 d . . . . .
 C44 C 0.24604(15) 0.28539(16) 0.52714(7) 0.0246(5) Uani 1 1 d . . . . .
 C45 C 0.19845(16) 0.35467(16) 0.54885(7) 0.0245(5) Uani 1 1 d . . . . .
 C46 C 0.10718(16) 0.36011(16) 0.54969(7) 0.0262(5) Uani 1 1 d . . . . .
 H46 H 0.065757 0.315843 0.535820 0.031 Uiso 1 1 calc R U . . .
 C47 C 0.07456(16) 0.42997(16) 0.57070(7) 0.0259(5) Uani 1 1 d . . . . .
 C48 C 0.13584(16) 0.49717(16) 0.58985(7) 0.0251(5) Uani 1 1 d . . . . .
 C49 C 0.22877(16) 0.49014(17) 0.58903(7) 0.0275(5) Uani 1 1 d . . . . .
 H49 H 0.270741 0.534467 0.602325 0.033 Uiso 1 1 calc R U . . .
 C50 C 0.25984(16) 0.41963(16) 0.56914(7) 0.0263(5) Uani 1 1 d . . . . .
 C51 C 0.35188(16) 0.39523(17) 0.56509(8) 0.0273(5) Uani 1 1 d . . . . .
 C52 C 0.43567(17) 0.43777(18) 0.57846(8) 0.0311(5) Uani 1 1 d . . . . .
 H52 H 0.438691 0.492344 0.593306 0.037 Uiso 1 1 calc R U . . .
 C53 C 0.51599(17) 0.40147(19) 0.57041(8) 0.0324(5) Uani 1 1 d . . . . .
 C54 C 0.51063(17) 0.31984(18) 0.54910(8) 0.0311(5) Uani 1 1 d . . . . .
 C55 C 0.42486(17) 0.27722(18) 0.53604(8) 0.0301(5) Uani 1 1 d . . . . .
 H55 H 0.421362 0.221617 0.522115 0.036 Uiso 1 1 calc R U . . .
 C56 C 0.34649(16) 0.31472(17) 0.54310(8) 0.0272(5) Uani 1 1 d . . . . .
 C65 C -0.02691(16) 0.42980(17) 0.57220(8) 0.0283(5) Uani 1 1 d . . . . .
 C66 C -0.08767(18) 0.4421(2) 0.52628(9) 0.0429(7) Uani 1 1 d . . . . .
 H66A H -0.076648 0.500136 0.515190 0.064 Uiso 1 1 calc R U . . .
 H66B H -0.152263 0.437163 0.527324 0.064 Uiso 1 1 calc R U . . .
 H66C H -0.073322 0.396976 0.506692 0.064 Uiso 1 1 calc R U . . .
 C67 C -0.05017(19) 0.3420(2) 0.59057(10) 0.0421(7) Uani 1 1 d . . . . .
 H67A H -0.051812 0.295988 0.568569 0.063 Uiso 1 1 calc R U . . .
 H67B H -0.110288 0.346053 0.597607 0.063 Uiso 1 1 calc R U . . .
 H67C H -0.003277 0.327756 0.617298 0.063 Uiso 1 1 calc R U . . .
 C68 C -0.0450(2) 0.4995(2) 0.60419(10) 0.0447(7) Uani 1 1 d . . . . .
 H68A H -0.111987 0.509711 0.598506 0.054 Uiso 1 1 calc R U . . .
 H68B H -0.023934 0.477037 0.634615 0.054 Uiso 1 1 calc R U . . .
 C69 C 0.10609(17) 0.57690(17) 0.61256(8) 0.0301(5) Uani 1 1 d . . . . .
 C70 C 0.1441(2) 0.5672(2) 0.66227(8) 0.0412(7) Uani 1 1 d . . . . .
 H70A H 0.120072 0.513358 0.672388 0.062 Uiso 1 1 calc R U . . .
 H70B H 0.125253 0.617659 0.677352 0.062 Uiso 1 1 calc R U . . .
 H70C H 0.211279 0.564345 0.668890 0.062 Uiso 1 1 calc R U . . .
 C71 C 0.1451(2) 0.6615(2) 0.59832(10) 0.0455(7) Uani 1 1 d . . . . .
 H71A H 0.212143 0.661093 0.608561 0.068 Uiso 1 1 calc R U . . .
 H71B H 0.120163 0.711783 0.611099 0.068 Uiso 1 1 calc R U . . .
 H71C H 0.127936 0.665949 0.566155 0.068 Uiso 1 1 calc R U . . .
 C72 C 0.0019(2) 0.5847(2) 0.60070(11) 0.0452(7) Uani 1 1 d . . . . .
 H72A H -0.016736 0.627886 0.620503 0.054 Uiso 1 1 calc R U . . .
 H72B H -0.018623 0.606949 0.570215 0.054 Uiso 1 1 calc R U . . .
 C73 C 0.34602(19) 0.26841(18) 0.69793(8) 0.0339(6) Uani 1 1 d . . . . .
 C74 C 0.4421(2) 0.30053(19) 0.76388(9) 0.0428(7) Uani 1 1 d . . . . .
 C75 C 0.4942(2) 0.28325(19) 0.73523(9) 0.0411(7) Uani 1 1 d . . . . .
 C76 C 0.4637(2) 0.2372(3) 0.65560(10) 0.0513(8) Uani 1 1 d . . . . .
 H76A H 0.409759 0.225534 0.631607 0.077 Uiso 1 1 calc R U . . .
 H76B H 0.501649 0.184363 0.661692 0.077 Uiso 1 1 calc R U . . .
 H76C H 0.499645 0.284891 0.647043 0.077 Uiso 1 1 calc R U . . .
 C77 C 0.2727(3) 0.3061(3) 0.75910(10) 0.0541(8) Uani 1 1 d . . . . .
 H77A H 0.273698 0.366571 0.769742 0.081 Uiso 1 1 calc R U . . .
 H77B H 0.275468 0.265630 0.783668 0.081 Uiso 1 1 calc R U . . .
 H77C H 0.215919 0.296048 0.736524 0.081 Uiso 1 1 calc R U . . .
 C78 C 0.4667(3) 0.3260(2) 0.81115(10) 0.0584(10) Uani 1 1 d . . . . .
 H78A H 0.438654 0.382666 0.814734 0.088 Uiso 1 1 calc R U . . .
 H78B H 0.533553 0.330558 0.821339 0.088 Uiso 1 1 calc R U . . .
 H78C H 0.443944 0.281519 0.828493 0.088 Uiso 1 1 calc R U . . .
 C79 C 0.5956(2) 0.2873(2) 0.74043(12) 0.0562(9) Uani 1 1 d . . . . .
 H79A H 0.617107 0.232082 0.730481 0.084 Uiso 1 1 calc R U . . .
 H79B H 0.625926 0.296876 0.771465 0.084 Uiso 1 1 calc R U . . .
 H79C H 0.610487 0.335714 0.722758 0.084 Uiso 1 1 calc R U . . .
 C28 C -0.0860(8) 0.0866(5) 0.6711(2) 0.028(3) Uani 0.491(8) 1 d D . P A 1
 C29 C -0.1403(5) 0.0209(5) 0.6383(3) 0.0397(16) Uani 0.491(8) 1 d D . P A 1
 H29A H -0.125305 0.028667 0.609716 0.060 Uiso 0.491(8) 1 calc R U P A 1
 H29B H -0.206130 0.030623 0.635082 0.060 Uiso 0.491(8) 1 calc R U P A 1
 H29C H -0.124290 -0.038690 0.648997 0.060 Uiso 0.491(8) 1 calc R U P A 1
 C30 C -0.1105(5) 0.1784(4) 0.6528(3) 0.0414(16) Uani 0.491(8) 1 d D . P A 1
 H30A H -0.076842 0.221795 0.673614 0.062 Uiso 0.491(8) 1 calc R U P A 1
 H30B H -0.176689 0.187932 0.648655 0.062 Uiso 0.491(8) 1 calc R U P A 1
 H30C H -0.093904 0.184418 0.624561 0.062 Uiso 0.491(8) 1 calc R U P A 1
 C31 C -0.1157(4) 0.0724(5) 0.71421(17) 0.0391(16) Uani 0.491(8) 1 d D . P A 1
 H31A H -0.181236 0.088478 0.709792 0.047 Uiso 0.491(8) 1 calc R U P A 1
 H31B H -0.109402 0.009582 0.722234 0.047 Uiso 0.491(8) 1 calc R U P A 1
 C32 C 0.0427(5) 0.0981(10) 0.7637(5) 0.032(2) Uani 0.491(8) 1 d D . P A 1
 C33 C 0.0539(10) 0.0157(10) 0.7925(7) 0.039(3) Uani 0.491(8) 1 d D . P A 1
 H33A H 0.015561 -0.031388 0.776522 0.058 Uiso 0.491(8) 1 calc R U P A 1
 H33B H 0.035029 0.028535 0.819705 0.058 Uiso 0.491(8) 1 calc R U P A 1
 H33C H 0.118404 -0.002722 0.799648 0.058 Uiso 0.491(8) 1 calc R U P A 1
 C34 C 0.0990(10) 0.1725(11) 0.7908(7) 0.041(2) Uani 0.491(8) 1 d D . P A 1
 H34A H 0.163682 0.155266 0.799809 0.061 Uiso 0.491(8) 1 calc R U P A 1
 H34B H 0.075703 0.183812 0.817015 0.061 Uiso 0.491(8) 1 calc R U P A 1
 H34C H 0.093200 0.225773 0.772884 0.061 Uiso 0.491(8) 1 calc R U P A 1
 C35 C -0.0591(5) 0.1262(5) 0.7514(2) 0.0367(16) Uani 0.491(8) 1 d D . P A 1
 H35A H -0.084867 0.120111 0.777561 0.044 Uiso 0.491(8) 1 calc R U P A 1
 H35B H -0.063075 0.188689 0.742751 0.044 Uiso 0.491(8) 1 calc R U P A 1
 C36 C 0.5439(5) -0.0721(4) 0.64999(16) 0.0360(16) Uani 0.783(8) 1 d D . P B 1
 C37 C 0.5755(4) 0.0002(4) 0.62265(18) 0.0482(13) Uani 0.783(8) 1 d D . P B 1
 H37A H 0.625160 -0.022266 0.610245 0.072 Uiso 0.783(8) 1 calc R U P B 1
 H37B H 0.597755 0.050630 0.641554 0.072 Uiso 0.783(8) 1 calc R U P B 1
 H37C H 0.523802 0.018212 0.598735 0.072 Uiso 0.783(8) 1 calc R U P B 1
 C38 C 0.5188(6) -0.1546(4) 0.6214(2) 0.0465(15) Uani 0.783(8) 1 d D . P B 1
 H38A H 0.477576 -0.138486 0.593174 0.070 Uiso 0.783(8) 1 calc R U P B 1
 H38B H 0.488065 -0.196789 0.636577 0.070 Uiso 0.783(8) 1 calc R U P B 1
 H38C H 0.574810 -0.180905 0.616101 0.070 Uiso 0.783(8) 1 calc R U P B 1
 C39 C 0.6221(4) -0.0963(4) 0.68967(15) 0.0471(14) Uani 0.783(8) 1 d D . P B 1
 H39A H 0.609100 -0.154237 0.700983 0.057 Uiso 0.783(8) 1 calc R U P B 1
 H39B H 0.680075 -0.101169 0.679932 0.057 Uiso 0.783(8) 1 calc R U P B 1
 C40 C 0.5509(3) -0.0245(4) 0.74637(17) 0.0318(11) Uani 0.783(8) 1 d D . P B 1
 C41 C 0.5630(4) 0.0572(3) 0.77553(19) 0.0380(10) Uani 0.783(8) 1 d D . P B 1
 H41A H 0.514410 0.058995 0.791630 0.057 Uiso 0.783(8) 1 calc R U P B 1
 H41B H 0.559198 0.109619 0.757141 0.057 Uiso 0.783(8) 1 calc R U P B 1
 H41C H 0.623012 0.055193 0.796502 0.057 Uiso 0.783(8) 1 calc R U P B 1
 C42 C 0.5460(5) -0.1041(4) 0.7750(2) 0.0411(13) Uani 0.783(8) 1 d D . P B 1
 H42A H 0.600823 -0.106028 0.799406 0.062 Uiso 0.783(8) 1 calc R U P B 1
 H42B H 0.543059 -0.157464 0.757267 0.062 Uiso 0.783(8) 1 calc R U P B 1
 H42C H 0.491106 -0.100226 0.786670 0.062 Uiso 0.783(8) 1 calc R U P B 1
 C43 C 0.6347(2) -0.0302(3) 0.72633(12) 0.0448(11) Uani 0.783(8) 1 d D . P B 1
 H43A H 0.646192 0.028066 0.714854 0.054 Uiso 0.783(8) 1 calc R U P B 1
 H43B H 0.689372 -0.046327 0.749674 0.054 Uiso 0.783(8) 1 calc R U P B 1
 C57 C 0.5928(16) 0.2711(14) 0.5365(6) 0.036(6) Uani 0.179(8) 1 d D U P C 1
 C58 C 0.621(2) 0.1902(19) 0.5655(9) 0.064(8) Uani 0.179(8) 1 d D . P C 1
 H58A H 0.571101 0.147074 0.559153 0.096 Uiso 0.179(8) 1 calc R U P C 1
 H58B H 0.633137 0.207316 0.596543 0.096 Uiso 0.179(8) 1 calc R U P C 1
 H58C H 0.676441 0.164512 0.559409 0.096 Uiso 0.179(8) 1 calc R U P C 1
 C59 C 0.5684(17) 0.2436(17) 0.4877(6) 0.047(6) Uani 0.179(8) 1 d D . P C 1
 H59A H 0.624886 0.230702 0.478377 0.071 Uiso 0.179(8) 1 calc R U P C 1
 H59B H 0.535382 0.291406 0.469789 0.071 Uiso 0.179(8) 1 calc R U P C 1
 H59C H 0.529481 0.191310 0.484009 0.071 Uiso 0.179(8) 1 calc R U P C 1
 C60 C 0.6749(14) 0.3336(13) 0.5441(6) 0.049(6) Uani 0.179(8) 1 d D . P C 1
 H60A H 0.731300 0.299327 0.544805 0.059 Uiso 0.179(8) 1 calc R U P C 1
 H60B H 0.666185 0.374940 0.519100 0.059 Uiso 0.179(8) 1 calc R U P C 1
 C61 C 0.6078(14) 0.4455(11) 0.5881(6) 0.037(6) Uani 0.179(8) 1 d D . P C 1
 C62 C 0.6197(18) 0.4802(17) 0.6352(6) 0.051(6) Uani 0.179(8) 1 d D . P C 1
 H62A H 0.680477 0.507049 0.645097 0.077 Uiso 0.179(8) 1 calc R U P C 1
 H62B H 0.613913 0.431634 0.654828 0.077 Uiso 0.179(8) 1 calc R U P C 1
 H62C H 0.572240 0.524046 0.635718 0.077 Uiso 0.179(8) 1 calc R U P C 1
 C63 C 0.6106(17) 0.5224(15) 0.5571(8) 0.063(6) Uani 0.179(8) 1 d D . P C 1
 H63A H 0.556893 0.559876 0.555514 0.095 Uiso 0.179(8) 1 calc R U P C 1
 H63B H 0.610043 0.500011 0.527699 0.095 Uiso 0.179(8) 1 calc R U P C 1
 H63C H 0.666720 0.556480 0.568243 0.095 Uiso 0.179(8) 1 calc R U P C 1
 C64 C 0.6878(10) 0.3852(11) 0.5865(6) 0.045(4) Uani 0.179(8) 1 d D . P C 1
 H64A H 0.744375 0.420823 0.590447 0.054 Uiso 0.179(8) 1 calc R U P C 1
 H64B H 0.696834 0.343607 0.611440 0.054 Uiso 0.179(8) 1 calc R U P C 1
 C28A C -0.0854(7) 0.0887(5) 0.6709(2) 0.033(3) Uani 0.509(8) 1 d D . P A 2
 C29A C -0.1401(5) 0.0042(5) 0.6610(3) 0.0508(19) Uani 0.509(8) 1 d D . P A 2
 H29D H -0.128753 -0.022547 0.634322 0.076 Uiso 0.509(8) 1 calc R U P A 2
 H29E H -0.205695 0.017123 0.656458 0.076 Uiso 0.509(8) 1 calc R U P A 2
 H29F H -0.121090 -0.036326 0.685756 0.076 Uiso 0.509(8) 1 calc R U P A 2
 C30A C -0.1158(7) 0.1503(8) 0.6318(4) 0.076(3) Uani 0.509(8) 1 d D U P A 2
 H30D H -0.083145 0.206157 0.638297 0.113 Uiso 0.509(8) 1 calc R U P A 2
 H30E H -0.182031 0.160469 0.626408 0.113 Uiso 0.509(8) 1 calc R U P A 2
 H30F H -0.101604 0.123881 0.605703 0.113 Uiso 0.509(8) 1 calc R U P A 2
 C31A C -0.1057(4) 0.1309(5) 0.71197(19) 0.0458(17) Uani 0.509(8) 1 d D . P A
 2
 H31C H -0.080710 0.191170 0.715125 0.055 Uiso 0.509(8) 1 calc R U P A 2
 H31D H -0.173048 0.134832 0.708224 0.055 Uiso 0.509(8) 1 calc R U P A 2
 C32A C 0.0414(5) 0.0790(10) 0.7637(5) 0.038(3) Uani 0.509(8) 1 d D . P A 2
 C33A C 0.0763(10) 0.0060(11) 0.7974(6) 0.040(2) Uani 0.509(8) 1 d D . P A 2
 H33D H 0.058835 -0.051124 0.783643 0.060 Uiso 0.509(8) 1 calc R U P A 2
 H33E H 0.049101 0.013129 0.822662 0.060 Uiso 0.509(8) 1 calc R U P A 2
 H33F H 0.143354 0.009476 0.807236 0.060 Uiso 0.509(8) 1 calc R U P A 2
 C34A C 0.0786(11) 0.1674(12) 0.7842(8) 0.049(3) Uani 0.509(8) 1 d D . P A 2
 H34D H 0.144802 0.162442 0.796878 0.073 Uiso 0.509(8) 1 calc R U P A 2
 H34E H 0.047541 0.183198 0.807268 0.073 Uiso 0.509(8) 1 calc R U P A 2
 H34F H 0.067240 0.212668 0.761326 0.073 Uiso 0.509(8) 1 calc R U P A 2
 C35A C -0.0645(4) 0.0795(7) 0.75349(19) 0.050(2) Uani 0.509(8) 1 d D . P A 2
 H35C H -0.087450 0.018544 0.749921 0.060 Uiso 0.509(8) 1 calc R U P A 2
 H35D H -0.084579 0.105859 0.778550 0.060 Uiso 0.509(8) 1 calc R U P A 2
 C36A C 0.5415(14) -0.0766(14) 0.6460(5) 0.043(6) Uani 0.217(8) 1 d D . P B 2
 C37A C 0.5499(16) -0.0209(16) 0.6061(6) 0.060(6) Uani 0.217(8) 1 d D . P B 2
 H37D H 0.497258 -0.032285 0.581432 0.090 Uiso 0.217(8) 1 calc R U P B 2
 H37E H 0.606787 -0.036147 0.597637 0.090 Uiso 0.217(8) 1 calc R U P B 2
 H37F H 0.551166 0.041348 0.613959 0.090 Uiso 0.217(8) 1 calc R U P B 2
 C38A C 0.533(2) -0.1740(14) 0.6329(10) 0.057(7) Uani 0.217(8) 1 d D . P B 2
 H38D H 0.552649 -0.210243 0.659372 0.086 Uiso 0.217(8) 1 calc R U P B 2
 H38E H 0.572517 -0.186258 0.612746 0.086 Uiso 0.217(8) 1 calc R U P B 2
 H38F H 0.469282 -0.187442 0.618429 0.086 Uiso 0.217(8) 1 calc R U P B 2
 C39A C 0.6273(13) -0.0651(16) 0.6835(4) 0.056(6) Uani 0.217(8) 1 d D . P B 2
 H39C H 0.679360 -0.095137 0.675305 0.067 Uiso 0.217(8) 1 calc R U P B 2
 H39D H 0.642432 -0.001972 0.686668 0.067 Uiso 0.217(8) 1 calc R U P B 2
 C40A C 0.5443(12) -0.0549(12) 0.7454(6) 0.040(4) Uani 0.217(8) 1 d D . P B 2
 C41A C 0.5785(16) 0.0347(12) 0.7639(8) 0.057(5) Uani 0.217(8) 1 d D . P B 2
 H41D H 0.597348 0.069112 0.741082 0.085 Uiso 0.217(8) 1 calc R U P B 2
 H41E H 0.631110 0.027189 0.789094 0.085 Uiso 0.217(8) 1 calc R U P B 2
 H41F H 0.529187 0.065452 0.773337 0.085 Uiso 0.217(8) 1 calc R U P B 2
 C42A C 0.5191(17) -0.1094(15) 0.7813(7) 0.044(4) Uani 0.217(8) 1 d D . P B 2
 H42D H 0.478087 -0.075654 0.795137 0.067 Uiso 0.217(8) 1 calc R U P B 2
 H42E H 0.575009 -0.124699 0.803428 0.067 Uiso 0.217(8) 1 calc R U P B 2
 H42F H 0.488034 -0.163042 0.768438 0.067 Uiso 0.217(8) 1 calc R U P B 2
 C43A C 0.6187(9) -0.0996(11) 0.7271(4) 0.048(4) Uani 0.217(8) 1 d D . P B 2
 H43C H 0.678469 -0.092523 0.748625 0.057 Uiso 0.217(8) 1 calc R U P B 2
 H43D H 0.605179 -0.163081 0.724173 0.057 Uiso 0.217(8) 1 calc R U P B 2
 C57A C 0.5935(4) 0.2765(4) 0.53753(16) 0.0378(14) Uani 0.821(8) 1 d D . P C
 2
 C58A C 0.5991(4) 0.1796(4) 0.5502(2) 0.0534(14) Uani 0.821(8) 1 d D . P C 2
 H58D H 0.546531 0.148299 0.531979 0.080 Uiso 0.821(8) 1 calc R U P C 2
 H58E H 0.598072 0.173705 0.581300 0.080 Uiso 0.821(8) 1 calc R U P C 2
 H58F H 0.656197 0.154571 0.545586 0.080 Uiso 0.821(8) 1 calc R U P C 2
 C59A C 0.5825(4) 0.2857(4) 0.48762(14) 0.0488(13) Uani 0.821(8) 1 d D . P C
 2
 H59D H 0.633472 0.255773 0.479089 0.073 Uiso 0.821(8) 1 calc R U P C 2
 H59E H 0.582876 0.347819 0.479881 0.073 Uiso 0.821(8) 1 calc R U P C 2
 H59F H 0.524279 0.259191 0.472067 0.073 Uiso 0.821(8) 1 calc R U P C 2
 C60A C 0.6835(3) 0.3199(3) 0.56168(17) 0.0490(12) Uani 0.821(8) 1 d D . P C
 2
 H60C H 0.700023 0.298961 0.592497 0.059 Uiso 0.821(8) 1 calc R U P C 2
 H60D H 0.733035 0.302026 0.547541 0.059 Uiso 0.821(8) 1 calc R U P C 2
 C61A C 0.6062(3) 0.4537(4) 0.58507(16) 0.0395(15) Uani 0.821(8) 1 d D . P C
 2
 C62A C 0.6413(4) 0.4424(5) 0.63494(15) 0.0559(14) Uani 0.821(8) 1 d D . P C
 2
 H62D H 0.698263 0.475749 0.645136 0.084 Uiso 0.821(8) 1 calc R U P C 2
 H62E H 0.653152 0.380264 0.641839 0.084 Uiso 0.821(8) 1 calc R U P C 2
 H62F H 0.594935 0.463991 0.649726 0.084 Uiso 0.821(8) 1 calc R U P C 2
 C63A C 0.5930(3) 0.5511(3) 0.5739(2) 0.0575(13) Uani 0.821(8) 1 d D . P C 2
 H63D H 0.552471 0.576999 0.590855 0.086 Uiso 0.821(8) 1 calc R U P C 2
 H63E H 0.565274 0.557845 0.542412 0.086 Uiso 0.821(8) 1 calc R U P C 2
 H63F H 0.652620 0.580703 0.581363 0.086 Uiso 0.821(8) 1 calc R U P C 2
 C64A C 0.6771(3) 0.4192(3) 0.56149(17) 0.0510(11) Uani 0.821(8) 1 d D . P C
 2
 H64C H 0.660912 0.440014 0.530646 0.061 Uiso 0.821(8) 1 calc R U P C 2
 H64D H 0.737997 0.443697 0.575821 0.061 Uiso 0.821(8) 1 calc R U P C 2


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Ge1 N1 1.737(2) . ?
 Ge1 C73 2.123(3) . ?
 N1 C1 1.364(3) . ?
 N2 C73 1.359(3) . ?
 N2 C74 1.391(4) . ?
 N2 C77 1.453(4) . ?
 N3 C73 1.346(4) . ?
 N3 C75 1.396(3) . ?
 N3 C76 1.464(4) . ?
 C1 C2 1.419(3) . ?
 C1 C6 1.421(3) . ?
 C2 C3 1.389(3) . ?
 C2 C15 1.520(3) . ?
 C3 C4 1.393(3) . ?
 C3 C8 1.511(4) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.395(4) . ?
 C5 C6 1.390(3) . ?
 C5 C12 1.510(3) . ?
 C6 C44 1.515(3) . ?
 C7 H7A 0.9900 . ?
 C7 H7B 0.9900 . ?
 C7 C8 1.552(3) . ?
 C7 C15 1.566(4) . ?
 C8 C9 1.530(3) . ?
 C8 C10 1.533(4) . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C10 H10A 0.9800 . ?
 C10 H10B 0.9800 . ?
 C10 H10C 0.9800 . ?
 C11 H11A 0.9900 . ?
 C11 H11B 0.9900 . ?
 C11 C12 1.551(3) . ?
 C11 C44 1.572(3) . ?
 C12 C13 1.535(3) . ?
 C12 C14 1.530(3) . ?
 C13 H13A 0.9800 . ?
 C13 H13B 0.9800 . ?
 C13 H13C 0.9800 . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C15 C16 1.533(3) . ?
 C15 C27 1.531(3) . ?
 C16 C17 1.378(3) . ?
 C16 C21 1.405(3) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.406(3) . ?
 C18 C19 1.407(3) . ?
 C18 C28 1.540(12) . ?
 C18 C28A 1.536(11) . ?
 C19 C20 1.398(4) . ?
 C19 C32 1.569(16) . ?
 C19 C32A 1.531(16) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.384(4) . ?
 C21 C22 1.468(3) . ?
 C22 C23 1.389(3) . ?
 C22 C27 1.397(3) . ?
 C23 H23 0.9500 . ?
 C23 C24 1.397(4) . ?
 C24 C25 1.403(4) . ?
 C24 C40 1.556(6) . ?
 C24 C40A 1.55(2) . ?
 C25 C26 1.407(3) . ?
 C25 C36 1.525(8) . ?
 C25 C36A 1.58(2) . ?
 C26 H26 0.9500 . ?
 C26 C27 1.377(4) . ?
 C44 C45 1.524(3) . ?
 C44 C56 1.536(3) . ?
 C45 C46 1.378(3) . ?
 C45 C50 1.398(3) . ?
 C46 H46 0.9500 . ?
 C46 C47 1.401(3) . ?
 C47 C48 1.412(3) . ?
 C47 C65 1.534(3) . ?
 C48 C49 1.404(3) . ?
 C48 C69 1.529(3) . ?
 C49 H49 0.9500 . ?
 C49 C50 1.379(4) . ?
 C50 C51 1.464(3) . ?
 C51 C52 1.387(3) . ?
 C51 C56 1.402(3) . ?
 C52 H52 0.9500 . ?
 C52 C53 1.403(4) . ?
 C53 C54 1.407(4) . ?
 C53 C61 1.51(2) . ?
 C53 C61A 1.543(6) . ?
 C54 C55 1.412(3) . ?
 C54 C57 1.57(3) . ?
 C54 C57A 1.526(7) . ?
 C55 H55 0.9500 . ?
 C55 C56 1.372(3) . ?
 C65 C66 1.518(3) . ?
 C65 C67 1.532(4) . ?
 C65 C68 1.529(4) . ?
 C66 H66A 0.9800 . ?
 C66 H66B 0.9800 . ?
 C66 H66C 0.9800 . ?
 C67 H67A 0.9800 . ?
 C67 H67B 0.9800 . ?
 C67 H67C 0.9800 . ?
 C68 H68A 0.9900 . ?
 C68 H68B 0.9900 . ?
 C68 C72 1.496(5) . ?
 C69 C70 1.531(3) . ?
 C69 C71 1.528(4) . ?
 C69 C72 1.522(4) . ?
 C70 H70A 0.9800 . ?
 C70 H70B 0.9800 . ?
 C70 H70C 0.9800 . ?
 C71 H71A 0.9800 . ?
 C71 H71B 0.9800 . ?
 C71 H71C 0.9800 . ?
 C72 H72A 0.9900 . ?
 C72 H72B 0.9900 . ?
 C74 C75 1.349(5) . ?
 C74 C78 1.489(4) . ?
 C75 C79 1.493(5) . ?
 C76 H76A 0.9800 . ?
 C76 H76B 0.9800 . ?
 C76 H76C 0.9800 . ?
 C77 H77A 0.9800 . ?
 C77 H77B 0.9800 . ?
 C77 H77C 0.9800 . ?
 C78 H78A 0.9800 . ?
 C78 H78B 0.9800 . ?
 C78 H78C 0.9800 . ?
 C79 H79A 0.9800 . ?
 C79 H79B 0.9800 . ?
 C79 H79C 0.9800 . ?
 C28 C29 1.524(7) . ?
 C28 C30 1.525(7) . ?
 C28 C31 1.536(7) . ?
 C29 H29A 0.9800 . ?
 C29 H29B 0.9800 . ?
 C29 H29C 0.9800 . ?
 C30 H30A 0.9800 . ?
 C30 H30B 0.9800 . ?
 C30 H30C 0.9800 . ?
 C31 H31A 0.9900 . ?
 C31 H31B 0.9900 . ?
 C31 C35 1.510(7) . ?
 C32 C33 1.534(8) . ?
 C32 C34 1.544(8) . ?
 C32 C35 1.543(7) . ?
 C33 H33A 0.9800 . ?
 C33 H33B 0.9800 . ?
 C33 H33C 0.9800 . ?
 C34 H34A 0.9800 . ?
 C34 H34B 0.9800 . ?
 C34 H34C 0.9800 . ?
 C35 H35A 0.9900 . ?
 C35 H35B 0.9900 . ?
 C36 C37 1.540(5) . ?
 C36 C38 1.539(6) . ?
 C36 C39 1.536(5) . ?
 C37 H37A 0.9800 . ?
 C37 H37B 0.9800 . ?
 C37 H37C 0.9800 . ?
 C38 H38A 0.9800 . ?
 C38 H38B 0.9800 . ?
 C38 H38C 0.9800 . ?
 C39 H39A 0.9900 . ?
 C39 H39B 0.9900 . ?
 C39 C43 1.505(6) . ?
 C40 C41 1.530(6) . ?
 C40 C42 1.523(6) . ?
 C40 C43 1.536(5) . ?
 C41 H41A 0.9800 . ?
 C41 H41B 0.9800 . ?
 C41 H41C 0.9800 . ?
 C42 H42A 0.9800 . ?
 C42 H42B 0.9800 . ?
 C42 H42C 0.9800 . ?
 C43 H43A 0.9900 . ?
 C43 H43B 0.9900 . ?
 C57 C58 1.531(10) . ?
 C57 C59 1.540(10) . ?
 C57 C60 1.531(10) . ?
 C58 H58A 0.9800 . ?
 C58 H58B 0.9800 . ?
 C58 H58C 0.9800 . ?
 C59 H59A 0.9800 . ?
 C59 H59B 0.9800 . ?
 C59 H59C 0.9800 . ?
 C60 H60A 0.9900 . ?
 C60 H60B 0.9900 . ?
 C60 C64 1.516(10) . ?
 C61 C62 1.536(10) . ?
 C61 C63 1.530(11) . ?
 C61 C64 1.524(10) . ?
 C62 H62A 0.9800 . ?
 C62 H62B 0.9800 . ?
 C62 H62C 0.9800 . ?
 C63 H63A 0.9800 . ?
 C63 H63B 0.9800 . ?
 C63 H63C 0.9800 . ?
 C64 H64A 0.9900 . ?
 C64 H64B 0.9900 . ?
 C28A C29A 1.520(7) . ?
 C28A C30A 1.524(7) . ?
 C28A C31A 1.532(7) . ?
 C29A H29D 0.9800 . ?
 C29A H29E 0.9800 . ?
 C29A H29F 0.9800 . ?
 C30A H30D 0.9800 . ?
 C30A H30E 0.9800 . ?
 C30A H30F 0.9800 . ?
 C31A H31C 0.9900 . ?
 C31A H31D 0.9900 . ?
 C31A C35A 1.517(8) . ?
 C32A C33A 1.536(8) . ?
 C32A C34A 1.540(8) . ?
 C32A C35A 1.543(7) . ?
 C33A H33D 0.9800 . ?
 C33A H33E 0.9800 . ?
 C33A H33F 0.9800 . ?
 C34A H34D 0.9800 . ?
 C34A H34E 0.9800 . ?
 C34A H34F 0.9800 . ?
 C35A H35C 0.9900 . ?
 C35A H35D 0.9900 . ?
 C36A C37A 1.541(9) . ?
 C36A C38A 1.539(10) . ?
 C36A C39A 1.531(9) . ?
 C37A H37D 0.9800 . ?
 C37A H37E 0.9800 . ?
 C37A H37F 0.9800 . ?
 C38A H38D 0.9800 . ?
 C38A H38E 0.9800 . ?
 C38A H38F 0.9800 . ?
 C39A H39C 0.9900 . ?
 C39A H39D 0.9900 . ?
 C39A C43A 1.498(10) . ?
 C40A C41A 1.527(11) . ?
 C40A C42A 1.517(10) . ?
 C40A C43A 1.531(10) . ?
 C41A H41D 0.9800 . ?
 C41A H41E 0.9800 . ?
 C41A H41F 0.9800 . ?
 C42A H42D 0.9800 . ?
 C42A H42E 0.9800 . ?
 C42A H42F 0.9800 . ?
 C43A H43C 0.9900 . ?
 C43A H43D 0.9900 . ?
 C57A C58A 1.530(6) . ?
 C57A C59A 1.538(5) . ?
 C57A C60A 1.531(5) . ?
 C58A H58D 0.9800 . ?
 C58A H58E 0.9800 . ?
 C58A H58F 0.9800 . ?
 C59A H59D 0.9800 . ?
 C59A H59E 0.9800 . ?
 C59A H59F 0.9800 . ?
 C60A H60C 0.9900 . ?
 C60A H60D 0.9900 . ?
 C60A C64A 1.519(6) . ?
 C61A C62A 1.533(6) . ?
 C61A C63A 1.529(6) . ?
 C61A C64A 1.525(5) . ?
 C62A H62D 0.9800 . ?
 C62A H62E 0.9800 . ?
 C62A H62F 0.9800 . ?
 C63A H63D 0.9800 . ?
 C63A H63E 0.9800 . ?
 C63A H63F 0.9800 . ?
 C64A H64C 0.9900 . ?
 C64A H64D 0.9900 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 N1 Ge1 C73 93.89(10) . . ?
 C1 N1 Ge1 134.42(18) . . ?
 C73 N2 C74 111.3(2) . . ?
 C73 N2 C77 124.9(2) . . ?
 C74 N2 C77 123.8(2) . . ?
 C73 N3 C75 111.1(2) . . ?
 C73 N3 C76 125.0(2) . . ?
 C75 N3 C76 123.9(3) . . ?
 N1 C1 C2 121.9(2) . . ?
 N1 C1 C6 122.5(2) . . ?
 C2 C1 C6 115.4(2) . . ?
 C1 C2 C15 125.7(2) . . ?
 C3 C2 C1 122.1(2) . . ?
 C3 C2 C15 111.8(2) . . ?
 C2 C3 C4 121.3(2) . . ?
 C2 C3 C8 112.5(2) . . ?
 C4 C3 C8 126.1(2) . . ?
 C3 C4 H4 121.1 . . ?
 C3 C4 C5 117.8(2) . . ?
 C5 C4 H4 121.1 . . ?
 C4 C5 C12 126.1(2) . . ?
 C6 C5 C4 121.4(2) . . ?
 C6 C5 C12 112.5(2) . . ?
 C1 C6 C44 126.2(2) . . ?
 C5 C6 C1 121.9(2) . . ?
 C5 C6 C44 111.96(19) . . ?
 H7A C7 H7B 108.3 . . ?
 C8 C7 H7A 110.0 . . ?
 C8 C7 H7B 110.0 . . ?
 C8 C7 C15 108.7(2) . . ?
 C15 C7 H7A 110.0 . . ?
 C15 C7 H7B 110.0 . . ?
 C3 C8 C7 102.73(19) . . ?
 C3 C8 C9 112.8(2) . . ?
 C3 C8 C10 110.7(2) . . ?
 C9 C8 C7 111.5(2) . . ?
 C9 C8 C10 107.3(2) . . ?
 C10 C8 C7 111.9(2) . . ?
 C8 C9 H9A 109.5 . . ?
 C8 C9 H9B 109.5 . . ?
 C8 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C8 C10 H10A 109.5 . . ?
 C8 C10 H10B 109.5 . . ?
 C8 C10 H10C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 H11A C11 H11B 108.4 . . ?
 C12 C11 H11A 110.0 . . ?
 C12 C11 H11B 110.0 . . ?
 C12 C11 C44 108.43(19) . . ?
 C44 C11 H11A 110.0 . . ?
 C44 C11 H11B 110.0 . . ?
 C5 C12 C11 102.61(18) . . ?
 C5 C12 C13 111.9(2) . . ?
 C5 C12 C14 111.3(2) . . ?
 C13 C12 C11 110.0(2) . . ?
 C14 C12 C11 112.5(2) . . ?
 C14 C12 C13 108.5(2) . . ?
 C12 C13 H13A 109.5 . . ?
 C12 C13 H13B 109.5 . . ?
 C12 C13 H13C 109.5 . . ?
 H13A C13 H13B 109.5 . . ?
 H13A C13 H13C 109.5 . . ?
 H13B C13 H13C 109.5 . . ?
 C12 C14 H14A 109.5 . . ?
 C12 C14 H14B 109.5 . . ?
 C12 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C2 C15 C7 102.25(18) . . ?
 C2 C15 C16 118.6(2) . . ?
 C2 C15 C27 112.5(2) . . ?
 C16 C15 C7 110.1(2) . . ?
 C27 C15 C7 113.5(2) . . ?
 C27 C15 C16 100.40(18) . . ?
 C17 C16 C15 129.7(2) . . ?
 C17 C16 C21 119.1(2) . . ?
 C21 C16 C15 111.0(2) . . ?
 C16 C17 H17 119.2 . . ?
 C16 C17 C18 121.7(2) . . ?
 C18 C17 H17 119.2 . . ?
 C17 C18 C19 119.0(2) . . ?
 C17 C18 C28 119.2(3) . . ?
 C17 C18 C28A 119.1(3) . . ?
 C19 C18 C28 121.7(3) . . ?
 C19 C18 C28A 121.8(3) . . ?
 C18 C19 C32 123.2(4) . . ?
 C18 C19 C32A 123.7(4) . . ?
 C20 C19 C18 118.8(2) . . ?
 C20 C19 C32 117.8(3) . . ?
 C20 C19 C32A 117.1(3) . . ?
 C19 C20 H20 119.2 . . ?
 C21 C20 C19 121.5(2) . . ?
 C21 C20 H20 119.2 . . ?
 C16 C21 C22 108.6(2) . . ?
 C20 C21 C16 119.8(2) . . ?
 C20 C21 C22 131.6(2) . . ?
 C23 C22 C21 131.7(2) . . ?
 C23 C22 C27 120.0(2) . . ?
 C27 C22 C21 108.3(2) . . ?
 C22 C23 H23 119.5 . . ?
 C22 C23 C24 121.1(2) . . ?
 C24 C23 H23 119.5 . . ?
 C23 C24 C25 119.1(2) . . ?
 C23 C24 C40 117.6(3) . . ?
 C23 C24 C40A 119.9(5) . . ?
 C25 C24 C40 123.2(3) . . ?
 C25 C24 C40A 118.8(5) . . ?
 C24 C25 C26 119.0(2) . . ?
 C24 C25 C36 122.7(3) . . ?
 C24 C25 C36A 127.0(6) . . ?
 C26 C25 C36 118.3(3) . . ?
 C26 C25 C36A 113.9(6) . . ?
 C25 C26 H26 119.3 . . ?
 C27 C26 C25 121.5(2) . . ?
 C27 C26 H26 119.3 . . ?
 C22 C27 C15 111.6(2) . . ?
 C26 C27 C15 129.1(2) . . ?
 C26 C27 C22 119.3(2) . . ?
 C6 C44 C11 102.09(18) . . ?
 C6 C44 C45 116.13(19) . . ?
 C6 C44 C56 117.9(2) . . ?
 C45 C44 C11 109.82(19) . . ?
 C45 C44 C56 100.37(18) . . ?
 C56 C44 C11 110.70(19) . . ?
 C46 C45 C44 128.6(2) . . ?
 C46 C45 C50 119.8(2) . . ?
 C50 C45 C44 111.5(2) . . ?
 C45 C46 H46 119.5 . . ?
 C45 C46 C47 121.0(2) . . ?
 C47 C46 H46 119.5 . . ?
 C46 C47 C48 119.2(2) . . ?
 C46 C47 C65 118.3(2) . . ?
 C48 C47 C65 122.6(2) . . ?
 C47 C48 C69 122.9(2) . . ?
 C49 C48 C47 119.0(2) . . ?
 C49 C48 C69 118.1(2) . . ?
 C48 C49 H49 119.6 . . ?
 C50 C49 C48 120.8(2) . . ?
 C50 C49 H49 119.6 . . ?
 C45 C50 C51 108.2(2) . . ?
 C49 C50 C45 120.1(2) . . ?
 C49 C50 C51 131.7(2) . . ?
 C52 C51 C50 131.3(2) . . ?
 C52 C51 C56 120.0(2) . . ?
 C56 C51 C50 108.7(2) . . ?
 C51 C52 H52 119.5 . . ?
 C51 C52 C53 121.0(2) . . ?
 C53 C52 H52 119.5 . . ?
 C52 C53 C54 118.8(2) . . ?
 C52 C53 C61 120.2(6) . . ?
 C52 C53 C61A 118.2(3) . . ?
 C54 C53 C61 120.8(6) . . ?
 C54 C53 C61A 123.1(3) . . ?
 C53 C54 C55 119.4(2) . . ?
 C53 C54 C57 125.5(6) . . ?
 C53 C54 C57A 122.6(3) . . ?
 C55 C54 C57 115.1(6) . . ?
 C55 C54 C57A 117.9(3) . . ?
 C54 C55 H55 119.4 . . ?
 C56 C55 C54 121.1(2) . . ?
 C56 C55 H55 119.4 . . ?
 C51 C56 C44 110.6(2) . . ?
 C55 C56 C44 129.6(2) . . ?
 C55 C56 C51 119.6(2) . . ?
 C66 C65 C47 110.3(2) . . ?
 C66 C65 C67 109.0(2) . . ?
 C66 C65 C68 111.9(2) . . ?
 C67 C65 C47 109.2(2) . . ?
 C68 C65 C47 110.6(2) . . ?
 C68 C65 C67 105.7(2) . . ?
 C65 C66 H66A 109.5 . . ?
 C65 C66 H66B 109.5 . . ?
 C65 C66 H66C 109.5 . . ?
 H66A C66 H66B 109.5 . . ?
 H66A C66 H66C 109.5 . . ?
 H66B C66 H66C 109.5 . . ?
 C65 C67 H67A 109.5 . . ?
 C65 C67 H67B 109.5 . . ?
 C65 C67 H67C 109.5 . . ?
 H67A C67 H67B 109.5 . . ?
 H67A C67 H67C 109.5 . . ?
 H67B C67 H67C 109.5 . . ?
 C65 C68 H68A 108.9 . . ?
 C65 C68 H68B 108.9 . . ?
 H68A C68 H68B 107.7 . . ?
 C72 C68 C65 113.4(2) . . ?
 C72 C68 H68A 108.9 . . ?
 C72 C68 H68B 108.9 . . ?
 C48 C69 C70 108.4(2) . . ?
 C71 C69 C48 111.3(2) . . ?
 C71 C69 C70 107.6(2) . . ?
 C72 C69 C48 110.2(2) . . ?
 C72 C69 C70 111.5(2) . . ?
 C72 C69 C71 107.8(2) . . ?
 C69 C70 H70A 109.5 . . ?
 C69 C70 H70B 109.5 . . ?
 C69 C70 H70C 109.5 . . ?
 H70A C70 H70B 109.5 . . ?
 H70A C70 H70C 109.5 . . ?
 H70B C70 H70C 109.5 . . ?
 C69 C71 H71A 109.5 . . ?
 C69 C71 H71B 109.5 . . ?
 C69 C71 H71C 109.5 . . ?
 H71A C71 H71B 109.5 . . ?
 H71A C71 H71C 109.5 . . ?
 H71B C71 H71C 109.5 . . ?
 C68 C72 C69 112.8(3) . . ?
 C68 C72 H72A 109.0 . . ?
 C68 C72 H72B 109.0 . . ?
 C69 C72 H72A 109.0 . . ?
 C69 C72 H72B 109.0 . . ?
 H72A C72 H72B 107.8 . . ?
 N2 C73 Ge1 121.5(2) . . ?
 N3 C73 Ge1 133.82(19) . . ?
 N3 C73 N2 104.6(2) . . ?
 N2 C74 C78 122.0(3) . . ?
 C75 C74 N2 106.2(2) . . ?
 C75 C74 C78 131.8(3) . . ?
 N3 C75 C79 122.1(3) . . ?
 C74 C75 N3 106.8(3) . . ?
 C74 C75 C79 131.1(3) . . ?
 N3 C76 H76A 109.5 . . ?
 N3 C76 H76B 109.5 . . ?
 N3 C76 H76C 109.5 . . ?
 H76A C76 H76B 109.5 . . ?
 H76A C76 H76C 109.5 . . ?
 H76B C76 H76C 109.5 . . ?
 N2 C77 H77A 109.5 . . ?
 N2 C77 H77B 109.5 . . ?
 N2 C77 H77C 109.5 . . ?
 H77A C77 H77B 109.5 . . ?
 H77A C77 H77C 109.5 . . ?
 H77B C77 H77C 109.5 . . ?
 C74 C78 H78A 109.5 . . ?
 C74 C78 H78B 109.5 . . ?
 C74 C78 H78C 109.5 . . ?
 H78A C78 H78B 109.5 . . ?
 H78A C78 H78C 109.5 . . ?
 H78B C78 H78C 109.5 . . ?
 C75 C79 H79A 109.5 . . ?
 C75 C79 H79B 109.5 . . ?
 C75 C79 H79C 109.5 . . ?
 H79A C79 H79B 109.5 . . ?
 H79A C79 H79C 109.5 . . ?
 H79B C79 H79C 109.5 . . ?
 C29 C28 C18 111.3(6) . . ?
 C29 C28 C30 108.1(6) . . ?
 C29 C28 C31 106.2(6) . . ?
 C30 C28 C18 110.6(6) . . ?
 C30 C28 C31 111.3(7) . . ?
 C31 C28 C18 109.3(6) . . ?
 C28 C29 H29A 109.5 . . ?
 C28 C29 H29B 109.5 . . ?
 C28 C29 H29C 109.5 . . ?
 H29A C29 H29B 109.5 . . ?
 H29A C29 H29C 109.5 . . ?
 H29B C29 H29C 109.5 . . ?
 C28 C30 H30A 109.5 . . ?
 C28 C30 H30B 109.5 . . ?
 C28 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 C28 C31 H31A 109.2 . . ?
 C28 C31 H31B 109.2 . . ?
 H31A C31 H31B 107.9 . . ?
 C35 C31 C28 111.9(5) . . ?
 C35 C31 H31A 109.2 . . ?
 C35 C31 H31B 109.2 . . ?
 C33 C32 C19 105.4(11) . . ?
 C33 C32 C34 108.1(7) . . ?
 C33 C32 C35 109.7(7) . . ?
 C34 C32 C19 114.4(11) . . ?
 C35 C32 C19 111.1(8) . . ?
 C35 C32 C34 108.1(7) . . ?
 C32 C33 H33A 109.5 . . ?
 C32 C33 H33B 109.5 . . ?
 C32 C33 H33C 109.5 . . ?
 H33A C33 H33B 109.5 . . ?
 H33A C33 H33C 109.5 . . ?
 H33B C33 H33C 109.5 . . ?
 C32 C34 H34A 109.5 . . ?
 C32 C34 H34B 109.5 . . ?
 C32 C34 H34C 109.5 . . ?
 H34A C34 H34B 109.5 . . ?
 H34A C34 H34C 109.5 . . ?
 H34B C34 H34C 109.5 . . ?
 C31 C35 C32 112.4(7) . . ?
 C31 C35 H35A 109.1 . . ?
 C31 C35 H35B 109.1 . . ?
 C32 C35 H35A 109.1 . . ?
 C32 C35 H35B 109.1 . . ?
 H35A C35 H35B 107.9 . . ?
 C25 C36 C37 109.6(5) . . ?
 C25 C36 C38 109.1(5) . . ?
 C25 C36 C39 110.9(4) . . ?
 C38 C36 C37 109.1(4) . . ?
 C39 C36 C37 110.2(4) . . ?
 C39 C36 C38 107.9(4) . . ?
 C36 C37 H37A 109.5 . . ?
 C36 C37 H37B 109.5 . . ?
 C36 C37 H37C 109.5 . . ?
 H37A C37 H37B 109.5 . . ?
 H37A C37 H37C 109.5 . . ?
 H37B C37 H37C 109.5 . . ?
 C36 C38 H38A 109.5 . . ?
 C36 C38 H38B 109.5 . . ?
 C36 C38 H38C 109.5 . . ?
 H38A C38 H38B 109.5 . . ?
 H38A C38 H38C 109.5 . . ?
 H38B C38 H38C 109.5 . . ?
 C36 C39 H39A 109.0 . . ?
 C36 C39 H39B 109.0 . . ?
 H39A C39 H39B 107.8 . . ?
 C43 C39 C36 112.8(4) . . ?
 C43 C39 H39A 109.0 . . ?
 C43 C39 H39B 109.0 . . ?
 C41 C40 C24 113.0(4) . . ?
 C41 C40 C43 107.4(4) . . ?
 C42 C40 C24 107.8(4) . . ?
 C42 C40 C41 108.4(4) . . ?
 C42 C40 C43 110.7(4) . . ?
 C43 C40 C24 109.6(3) . . ?
 C40 C41 H41A 109.5 . . ?
 C40 C41 H41B 109.5 . . ?
 C40 C41 H41C 109.5 . . ?
 H41A C41 H41B 109.5 . . ?
 H41A C41 H41C 109.5 . . ?
 H41B C41 H41C 109.5 . . ?
 C40 C42 H42A 109.5 . . ?
 C40 C42 H42B 109.5 . . ?
 C40 C42 H42C 109.5 . . ?
 H42A C42 H42B 109.5 . . ?
 H42A C42 H42C 109.5 . . ?
 H42B C42 H42C 109.5 . . ?
 C39 C43 C40 112.6(4) . . ?
 C39 C43 H43A 109.1 . . ?
 C39 C43 H43B 109.1 . . ?
 C40 C43 H43A 109.1 . . ?
 C40 C43 H43B 109.1 . . ?
 H43A C43 H43B 107.8 . . ?
 C58 C57 C54 110.8(19) . . ?
 C58 C57 C59 109.6(13) . . ?
 C59 C57 C54 111.3(15) . . ?
 C60 C57 C54 108.4(13) . . ?
 C60 C57 C58 108.3(13) . . ?
 C60 C57 C59 108.4(12) . . ?
 C57 C58 H58A 109.5 . . ?
 C57 C58 H58B 109.5 . . ?
 C57 C58 H58C 109.5 . . ?
 H58A C58 H58B 109.5 . . ?
 H58A C58 H58C 109.5 . . ?
 H58B C58 H58C 109.5 . . ?
 C57 C59 H59A 109.5 . . ?
 C57 C59 H59B 109.5 . . ?
 C57 C59 H59C 109.5 . . ?
 H59A C59 H59B 109.5 . . ?
 H59A C59 H59C 109.5 . . ?
 H59B C59 H59C 109.5 . . ?
 C57 C60 H60A 109.0 . . ?
 C57 C60 H60B 109.0 . . ?
 H60A C60 H60B 107.8 . . ?
 C64 C60 C57 113.0(11) . . ?
 C64 C60 H60A 109.0 . . ?
 C64 C60 H60B 109.0 . . ?
 C53 C61 C62 113.0(14) . . ?
 C53 C61 C63 105.6(14) . . ?
 C53 C61 C64 112.0(12) . . ?
 C63 C61 C62 109.3(13) . . ?
 C64 C61 C62 109.2(13) . . ?
 C64 C61 C63 107.5(13) . . ?
 C61 C62 H62A 109.5 . . ?
 C61 C62 H62B 109.5 . . ?
 C61 C62 H62C 109.5 . . ?
 H62A C62 H62B 109.5 . . ?
 H62A C62 H62C 109.5 . . ?
 H62B C62 H62C 109.5 . . ?
 C61 C63 H63A 109.5 . . ?
 C61 C63 H63B 109.5 . . ?
 C61 C63 H63C 109.5 . . ?
 H63A C63 H63B 109.5 . . ?
 H63A C63 H63C 109.5 . . ?
 H63B C63 H63C 109.5 . . ?
 C60 C64 C61 114.0(12) . . ?
 C60 C64 H64A 108.8 . . ?
 C60 C64 H64B 108.8 . . ?
 C61 C64 H64A 108.8 . . ?
 C61 C64 H64B 108.8 . . ?
 H64A C64 H64B 107.6 . . ?
 C29A C28A C18 110.9(6) . . ?
 C29A C28A C30A 108.4(7) . . ?
 C29A C28A C31A 108.8(6) . . ?
 C30A C28A C18 109.9(6) . . ?
 C30A C28A C31A 109.4(7) . . ?
 C31A C28A C18 109.4(6) . . ?
 C28A C29A H29D 109.5 . . ?
 C28A C29A H29E 109.5 . . ?
 C28A C29A H29F 109.5 . . ?
 H29D C29A H29E 109.5 . . ?
 H29D C29A H29F 109.5 . . ?
 H29E C29A H29F 109.5 . . ?
 C28A C30A H30D 109.5 . . ?
 C28A C30A H30E 109.5 . . ?
 C28A C30A H30F 109.5 . . ?
 H30D C30A H30E 109.5 . . ?
 H30D C30A H30F 109.5 . . ?
 H30E C30A H30F 109.5 . . ?
 C28A C31A H31C 109.2 . . ?
 C28A C31A H31D 109.2 . . ?
 H31C C31A H31D 107.9 . . ?
 C35A C31A C28A 112.3(6) . . ?
 C35A C31A H31C 109.2 . . ?
 C35A C31A H31D 109.2 . . ?
 C19 C32A C33A 113.7(10) . . ?
 C19 C32A C34A 105.1(12) . . ?
 C19 C32A C35A 111.5(8) . . ?
 C33A C32A C34A 108.7(7) . . ?
 C33A C32A C35A 108.2(7) . . ?
 C34A C32A C35A 109.5(7) . . ?
 C32A C33A H33D 109.5 . . ?
 C32A C33A H33E 109.5 . . ?
 C32A C33A H33F 109.5 . . ?
 H33D C33A H33E 109.5 . . ?
 H33D C33A H33F 109.5 . . ?
 H33E C33A H33F 109.5 . . ?
 C32A C34A H34D 109.5 . . ?
 C32A C34A H34E 109.5 . . ?
 C32A C34A H34F 109.5 . . ?
 H34D C34A H34E 109.5 . . ?
 H34D C34A H34F 109.5 . . ?
 H34E C34A H34F 109.5 . . ?
 C31A C35A C32A 111.7(7) . . ?
 C31A C35A H35C 109.3 . . ?
 C31A C35A H35D 109.3 . . ?
 C32A C35A H35C 109.3 . . ?
 C32A C35A H35D 109.3 . . ?
 H35C C35A H35D 107.9 . . ?
 C37A C36A C25 109.5(15) . . ?
 C38A C36A C25 114.2(18) . . ?
 C38A C36A C37A 109.6(12) . . ?
 C39A C36A C25 105.1(13) . . ?
 C39A C36A C37A 109.9(12) . . ?
 C39A C36A C38A 108.3(12) . . ?
 C36A C37A H37D 109.5 . . ?
 C36A C37A H37E 109.5 . . ?
 C36A C37A H37F 109.5 . . ?
 H37D C37A H37E 109.5 . . ?
 H37D C37A H37F 109.5 . . ?
 H37E C37A H37F 109.5 . . ?
 C36A C38A H38D 109.5 . . ?
 C36A C38A H38E 109.5 . . ?
 C36A C38A H38F 109.5 . . ?
 H38D C38A H38E 109.5 . . ?
 H38D C38A H38F 109.5 . . ?
 H38E C38A H38F 109.5 . . ?
 C36A C39A H39C 108.6 . . ?
 C36A C39A H39D 108.6 . . ?
 H39C C39A H39D 107.6 . . ?
 C43A C39A C36A 114.7(11) . . ?
 C43A C39A H39C 108.6 . . ?
 C43A C39A H39D 108.6 . . ?
 C41A C40A C24 97.4(13) . . ?
 C41A C40A C43A 109.4(12) . . ?
 C42A C40A C24 115.0(13) . . ?
 C42A C40A C41A 109.4(11) . . ?
 C42A C40A C43A 111.4(11) . . ?
 C43A C40A C24 113.3(11) . . ?
 C40A C41A H41D 109.5 . . ?
 C40A C41A H41E 109.5 . . ?
 C40A C41A H41F 109.5 . . ?
 H41D C41A H41E 109.5 . . ?
 H41D C41A H41F 109.5 . . ?
 H41E C41A H41F 109.5 . . ?
 C40A C42A H42D 109.5 . . ?
 C40A C42A H42E 109.5 . . ?
 C40A C42A H42F 109.5 . . ?
 H42D C42A H42E 109.5 . . ?
 H42D C42A H42F 109.5 . . ?
 H42E C42A H42F 109.5 . . ?
 C39A C43A C40A 114.4(11) . . ?
 C39A C43A H43C 108.7 . . ?
 C39A C43A H43D 108.7 . . ?
 C40A C43A H43C 108.7 . . ?
 C40A C43A H43D 108.7 . . ?
 H43C C43A H43D 107.6 . . ?
 C54 C57A C58A 110.8(4) . . ?
 C54 C57A C59A 107.8(4) . . ?
 C54 C57A C60A 111.5(4) . . ?
 C58A C57A C59A 109.8(4) . . ?
 C58A C57A C60A 107.7(4) . . ?
 C60A C57A C59A 109.3(4) . . ?
 C57A C58A H58D 109.5 . . ?
 C57A C58A H58E 109.5 . . ?
 C57A C58A H58F 109.5 . . ?
 H58D C58A H58E 109.5 . . ?
 H58D C58A H58F 109.5 . . ?
 H58E C58A H58F 109.5 . . ?
 C57A C59A H59D 109.5 . . ?
 C57A C59A H59E 109.5 . . ?
 C57A C59A H59F 109.5 . . ?
 H59D C59A H59E 109.5 . . ?
 H59D C59A H59F 109.5 . . ?
 H59E C59A H59F 109.5 . . ?
 C57A C60A H60C 109.1 . . ?
 C57A C60A H60D 109.1 . . ?
 H60C C60A H60D 107.8 . . ?
 C64A C60A C57A 112.5(4) . . ?
 C64A C60A H60C 109.1 . . ?
 C64A C60A H60D 109.1 . . ?
 C62A C61A C53 107.9(4) . . ?
 C63A C61A C53 112.2(4) . . ?
 C63A C61A C62A 109.6(4) . . ?
 C64A C61A C53 109.9(4) . . ?
 C64A C61A C62A 110.2(4) . . ?
 C64A C61A C63A 107.0(4) . . ?
 C61A C62A H62D 109.5 . . ?
 C61A C62A H62E 109.5 . . ?
 C61A C62A H62F 109.5 . . ?
 H62D C62A H62E 109.5 . . ?
 H62D C62A H62F 109.5 . . ?
 H62E C62A H62F 109.5 . . ?
 C61A C63A H63D 109.5 . . ?
 C61A C63A H63E 109.5 . . ?
 C61A C63A H63F 109.5 . . ?
 H63D C63A H63E 109.5 . . ?
 H63D C63A H63F 109.5 . . ?
 H63E C63A H63F 109.5 . . ?
 C60A C64A C61A 113.2(4) . . ?
 C60A C64A H64C 108.9 . . ?
 C60A C64A H64D 108.9 . . ?
 C61A C64A H64C 108.9 . . ?
 C61A C64A H64D 108.9 . . ?
 H64C C64A H64D 107.8 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Ge1 N1 C1 C2 -89.9(3) . . . . ?
 Ge1 N1 C1 C6 96.0(3) . . . . ?
 N1 C1 C2 C3 -169.1(2) . . . . ?
 N1 C1 C2 C15 2.7(4) . . . . ?
 N1 C1 C6 C5 171.0(2) . . . . ?
 N1 C1 C6 C44 -8.1(4) . . . . ?
 N2 C74 C75 N3 -1.0(3) . . . . ?
 N2 C74 C75 C79 176.0(3) . . . . ?
 C1 C2 C3 C4 -3.7(4) . . . . ?
 C1 C2 C3 C8 174.0(2) . . . . ?
 C1 C2 C15 C7 178.2(2) . . . . ?
 C1 C2 C15 C16 56.9(3) . . . . ?
 C1 C2 C15 C27 -59.7(3) . . . . ?
 C1 C6 C44 C11 -171.0(2) . . . . ?
 C1 C6 C44 C45 -51.6(3) . . . . ?
 C1 C6 C44 C56 67.5(3) . . . . ?
 C2 C1 C6 C5 -3.5(3) . . . . ?
 C2 C1 C6 C44 177.5(2) . . . . ?
 C2 C3 C4 C5 -0.2(3) . . . . ?
 C2 C3 C8 C7 7.6(3) . . . . ?
 C2 C3 C8 C9 127.7(2) . . . . ?
 C2 C3 C8 C10 -112.1(2) . . . . ?
 C2 C15 C16 C17 59.4(4) . . . . ?
 C2 C15 C16 C21 -126.4(2) . . . . ?
 C2 C15 C27 C22 129.8(2) . . . . ?
 C2 C15 C27 C26 -51.5(4) . . . . ?
 C3 C2 C15 C7 -9.3(3) . . . . ?
 C3 C2 C15 C16 -130.6(2) . . . . ?
 C3 C2 C15 C27 112.7(2) . . . . ?
 C3 C4 C5 C6 2.1(3) . . . . ?
 C3 C4 C5 C12 -178.2(2) . . . . ?
 C4 C3 C8 C7 -174.8(2) . . . . ?
 C4 C3 C8 C9 -54.7(3) . . . . ?
 C4 C3 C8 C10 65.5(3) . . . . ?
 C4 C5 C6 C1 -0.2(3) . . . . ?
 C4 C5 C6 C44 179.0(2) . . . . ?
 C4 C5 C12 C11 171.4(2) . . . . ?
 C4 C5 C12 C13 53.5(3) . . . . ?
 C4 C5 C12 C14 -68.1(3) . . . . ?
 C5 C6 C44 C11 9.9(2) . . . . ?
 C5 C6 C44 C45 129.3(2) . . . . ?
 C5 C6 C44 C56 -111.6(2) . . . . ?
 C6 C1 C2 C3 5.4(3) . . . . ?
 C6 C1 C2 C15 177.2(2) . . . . ?
 C6 C5 C12 C11 -8.9(3) . . . . ?
 C6 C5 C12 C13 -126.9(2) . . . . ?
 C6 C5 C12 C14 111.6(2) . . . . ?
 C6 C44 C45 C46 -46.3(3) . . . . ?
 C6 C44 C45 C50 135.0(2) . . . . ?
 C6 C44 C56 C51 -134.5(2) . . . . ?
 C6 C44 C56 C55 50.5(3) . . . . ?
 C7 C15 C16 C17 -57.8(3) . . . . ?
 C7 C15 C16 C21 116.4(2) . . . . ?
 C7 C15 C27 C22 -114.7(2) . . . . ?
 C7 C15 C27 C26 64.0(4) . . . . ?
 C8 C3 C4 C5 -177.6(2) . . . . ?
 C8 C7 C15 C2 13.8(3) . . . . ?
 C8 C7 C15 C16 140.8(2) . . . . ?
 C8 C7 C15 C27 -107.6(2) . . . . ?
 C11 C44 C45 C46 68.8(3) . . . . ?
 C11 C44 C45 C50 -109.9(2) . . . . ?
 C11 C44 C56 C51 108.6(2) . . . . ?
 C11 C44 C56 C55 -66.4(3) . . . . ?
 C12 C5 C6 C1 -179.9(2) . . . . ?
 C12 C5 C6 C44 -0.7(3) . . . . ?
 C12 C11 C44 C6 -15.2(2) . . . . ?
 C12 C11 C44 C45 -138.9(2) . . . . ?
 C12 C11 C44 C56 111.1(2) . . . . ?
 C15 C2 C3 C4 -176.5(2) . . . . ?
 C15 C2 C3 C8 1.2(3) . . . . ?
 C15 C7 C8 C3 -13.2(3) . . . . ?
 C15 C7 C8 C9 -134.2(2) . . . . ?
 C15 C7 C8 C10 105.6(2) . . . . ?
 C15 C16 C17 C18 172.8(3) . . . . ?
 C15 C16 C21 C20 -175.1(3) . . . . ?
 C15 C16 C21 C22 3.1(3) . . . . ?
 C16 C15 C27 C22 2.7(3) . . . . ?
 C16 C15 C27 C26 -178.5(3) . . . . ?
 C16 C17 C18 C19 1.0(4) . . . . ?
 C16 C17 C18 C28 -177.4(4) . . . . ?
 C16 C17 C18 C28A -178.8(4) . . . . ?
 C16 C21 C22 C23 178.3(3) . . . . ?
 C16 C21 C22 C27 -1.3(3) . . . . ?
 C17 C16 C21 C20 -0.2(4) . . . . ?
 C17 C16 C21 C22 178.0(2) . . . . ?
 C17 C18 C19 C20 0.1(4) . . . . ?
 C17 C18 C19 C32 174.4(7) . . . . ?
 C17 C18 C19 C32A -172.7(7) . . . . ?
 C17 C18 C28 C29 43.4(7) . . . . ?
 C17 C18 C28 C30 -76.8(6) . . . . ?
 C17 C18 C28 C31 160.3(4) . . . . ?
 C17 C18 C28A C29A 75.9(6) . . . . ?
 C17 C18 C28A C30A -44.0(8) . . . . ?
 C17 C18 C28A C31A -164.1(4) . . . . ?
 C18 C19 C20 C21 -1.2(4) . . . . ?
 C18 C19 C32 C33 116.8(7) . . . . ?
 C18 C19 C32 C34 -124.5(8) . . . . ?
 C18 C19 C32 C35 -1.9(12) . . . . ?
 C18 C19 C32A C33A 126.7(7) . . . . ?
 C18 C19 C32A C34A -114.6(8) . . . . ?
 C18 C19 C32A C35A 4.0(12) . . . . ?
 C18 C28 C31 C35 53.2(7) . . . . ?
 C18 C28A C31A C35A -51.0(8) . . . . ?
 C19 C18 C28 C29 -135.0(5) . . . . ?
 C19 C18 C28 C30 104.9(5) . . . . ?
 C19 C18 C28 C31 -18.0(6) . . . . ?
 C19 C18 C28A C29A -104.0(6) . . . . ?
 C19 C18 C28A C30A 136.2(7) . . . . ?
 C19 C18 C28A C31A 16.0(7) . . . . ?
 C19 C20 C21 C16 1.3(4) . . . . ?
 C19 C20 C21 C22 -176.4(3) . . . . ?
 C19 C32 C35 C31 36.6(11) . . . . ?
 C19 C32A C35A C31A -38.3(12) . . . . ?
 C20 C19 C32 C33 -68.7(7) . . . . ?
 C20 C19 C32 C34 49.9(9) . . . . ?
 C20 C19 C32 C35 172.6(6) . . . . ?
 C20 C19 C32A C33A -46.2(9) . . . . ?
 C20 C19 C32A C34A 72.6(7) . . . . ?
 C20 C19 C32A C35A -168.8(6) . . . . ?
 C20 C21 C22 C23 -3.8(6) . . . . ?
 C20 C21 C22 C27 176.7(3) . . . . ?
 C21 C16 C17 C18 -0.9(4) . . . . ?
 C21 C22 C23 C24 178.9(3) . . . . ?
 C21 C22 C27 C15 -1.1(3) . . . . ?
 C21 C22 C27 C26 -179.9(2) . . . . ?
 C22 C23 C24 C25 0.3(4) . . . . ?
 C22 C23 C24 C40 177.2(3) . . . . ?
 C22 C23 C24 C40A -162.9(8) . . . . ?
 C23 C22 C27 C15 179.3(2) . . . . ?
 C23 C22 C27 C26 0.4(4) . . . . ?
 C23 C24 C25 C26 2.1(4) . . . . ?
 C23 C24 C25 C36 -178.4(3) . . . . ?
 C23 C24 C25 C36A -176.1(10) . . . . ?
 C23 C24 C40 C41 -45.3(5) . . . . ?
 C23 C24 C40 C42 74.5(5) . . . . ?
 C23 C24 C40 C43 -165.0(3) . . . . ?
 C23 C24 C40A C41A -77.9(11) . . . . ?
 C23 C24 C40A C42A 37.6(14) . . . . ?
 C23 C24 C40A C43A 167.2(9) . . . . ?
 C24 C25 C26 C27 -3.2(4) . . . . ?
 C24 C25 C36 C37 -110.9(4) . . . . ?
 C24 C25 C36 C38 129.7(4) . . . . ?
 C24 C25 C36 C39 10.9(6) . . . . ?
 C24 C25 C36A C37A -131.3(11) . . . . ?
 C24 C25 C36A C38A 105.3(12) . . . . ?
 C24 C25 C36A C39A -13.2(14) . . . . ?
 C24 C40 C43 C39 -44.8(5) . . . . ?
 C24 C40A C43A C39A 31.0(17) . . . . ?
 C25 C24 C40 C41 131.5(4) . . . . ?
 C25 C24 C40 C42 -108.7(4) . . . . ?
 C25 C24 C40 C43 11.8(6) . . . . ?
 C25 C24 C40A C41A 118.9(10) . . . . ?
 C25 C24 C40A C42A -125.7(11) . . . . ?
 C25 C24 C40A C43A 4.0(15) . . . . ?
 C25 C26 C27 C15 -176.7(3) . . . . ?
 C25 C26 C27 C22 2.0(4) . . . . ?
 C25 C36 C39 C43 -44.2(6) . . . . ?
 C25 C36A C39A C43A 49.2(19) . . . . ?
 C26 C25 C36 C37 68.6(5) . . . . ?
 C26 C25 C36 C38 -50.8(5) . . . . ?
 C26 C25 C36 C39 -169.5(4) . . . . ?
 C26 C25 C36A C37A 50.4(14) . . . . ?
 C26 C25 C36A C38A -73.0(12) . . . . ?
 C26 C25 C36A C39A 168.5(9) . . . . ?
 C27 C15 C16 C17 -177.7(3) . . . . ?
 C27 C15 C16 C21 -3.5(3) . . . . ?
 C27 C22 C23 C24 -1.5(4) . . . . ?
 C44 C11 C12 C5 14.8(2) . . . . ?
 C44 C11 C12 C13 134.1(2) . . . . ?
 C44 C11 C12 C14 -104.8(2) . . . . ?
 C44 C45 C46 C47 -178.7(2) . . . . ?
 C44 C45 C50 C49 177.3(2) . . . . ?
 C44 C45 C50 C51 -3.9(3) . . . . ?
 C45 C44 C56 C51 -7.4(2) . . . . ?
 C45 C44 C56 C55 177.6(3) . . . . ?
 C45 C46 C47 C48 2.3(3) . . . . ?
 C45 C46 C47 C65 -177.3(2) . . . . ?
 C45 C50 C51 C52 178.1(3) . . . . ?
 C45 C50 C51 C56 -1.1(3) . . . . ?
 C46 C45 C50 C49 -1.6(4) . . . . ?
 C46 C45 C50 C51 177.3(2) . . . . ?
 C46 C47 C48 C49 -2.8(3) . . . . ?
 C46 C47 C48 C69 178.6(2) . . . . ?
 C46 C47 C65 C66 -67.5(3) . . . . ?
 C46 C47 C65 C67 52.2(3) . . . . ?
 C46 C47 C65 C68 168.2(2) . . . . ?
 C47 C48 C49 C50 1.2(3) . . . . ?
 C47 C48 C69 C70 107.2(3) . . . . ?
 C47 C48 C69 C71 -134.6(2) . . . . ?
 C47 C48 C69 C72 -15.1(3) . . . . ?
 C47 C65 C68 C72 42.8(3) . . . . ?
 C48 C47 C65 C66 112.9(3) . . . . ?
 C48 C47 C65 C67 -127.4(3) . . . . ?
 C48 C47 C65 C68 -11.4(3) . . . . ?
 C48 C49 C50 C45 1.0(4) . . . . ?
 C48 C49 C50 C51 -177.5(2) . . . . ?
 C48 C69 C72 C68 46.3(3) . . . . ?
 C49 C48 C69 C70 -71.4(3) . . . . ?
 C49 C48 C69 C71 46.8(3) . . . . ?
 C49 C48 C69 C72 166.3(2) . . . . ?
 C49 C50 C51 C52 -3.2(5) . . . . ?
 C49 C50 C51 C56 177.5(3) . . . . ?
 C50 C45 C46 C47 -0.1(3) . . . . ?
 C50 C51 C52 C53 -179.3(3) . . . . ?
 C50 C51 C56 C44 5.6(3) . . . . ?
 C50 C51 C56 C55 -178.8(2) . . . . ?
 C51 C52 C53 C54 -1.1(4) . . . . ?
 C51 C52 C53 C61 -175.6(8) . . . . ?
 C51 C52 C53 C61A 178.3(3) . . . . ?
 C52 C51 C56 C44 -173.7(2) . . . . ?
 C52 C51 C56 C55 1.8(4) . . . . ?
 C52 C53 C54 C55 0.6(4) . . . . ?
 C52 C53 C54 C57 178.3(9) . . . . ?
 C52 C53 C54 C57A 177.9(3) . . . . ?
 C52 C53 C61 C62 41.2(15) . . . . ?
 C52 C53 C61 C63 -78.3(13) . . . . ?
 C52 C53 C61 C64 165.0(9) . . . . ?
 C52 C53 C61A C62A 77.4(5) . . . . ?
 C52 C53 C61A C63A -43.5(5) . . . . ?
 C52 C53 C61A C64A -162.5(3) . . . . ?
 C53 C54 C55 C56 1.1(4) . . . . ?
 C53 C54 C57 C58 109.2(12) . . . . ?
 C53 C54 C57 C59 -128.6(11) . . . . ?
 C53 C54 C57 C60 -9.4(15) . . . . ?
 C53 C54 C57A C58A 134.2(4) . . . . ?
 C53 C54 C57A C59A -105.7(4) . . . . ?
 C53 C54 C57A C60A 14.3(5) . . . . ?
 C53 C61 C64 C60 43.1(18) . . . . ?
 C53 C61A C64A C60A -46.2(5) . . . . ?
 C54 C53 C61 C62 -133.1(12) . . . . ?
 C54 C53 C61 C63 107.4(12) . . . . ?
 C54 C53 C61 C64 -9.3(14) . . . . ?
 C54 C53 C61A C62A -103.2(4) . . . . ?
 C54 C53 C61A C63A 135.9(4) . . . . ?
 C54 C53 C61A C64A 17.0(5) . . . . ?
 C54 C55 C56 C44 172.3(2) . . . . ?
 C54 C55 C56 C51 -2.4(4) . . . . ?
 C54 C57 C60 C64 42.2(19) . . . . ?
 C54 C57A C60A C64A -43.2(6) . . . . ?
 C55 C54 C57 C58 -73.0(13) . . . . ?
 C55 C54 C57 C59 49.2(15) . . . . ?
 C55 C54 C57 C60 168.4(9) . . . . ?
 C55 C54 C57A C58A -48.5(5) . . . . ?
 C55 C54 C57A C59A 71.7(5) . . . . ?
 C55 C54 C57A C60A -168.4(3) . . . . ?
 C56 C44 C45 C46 -174.5(2) . . . . ?
 C56 C44 C45 C50 6.7(2) . . . . ?
 C56 C51 C52 C53 -0.1(4) . . . . ?
 C65 C47 C48 C49 176.7(2) . . . . ?
 C65 C47 C48 C69 -1.8(3) . . . . ?
 C65 C68 C72 C69 -63.2(3) . . . . ?
 C66 C65 C68 C72 -80.6(3) . . . . ?
 C67 C65 C68 C72 160.9(2) . . . . ?
 C69 C48 C49 C50 179.8(2) . . . . ?
 C70 C69 C72 C68 -74.2(3) . . . . ?
 C71 C69 C72 C68 167.9(2) . . . . ?
 C73 Ge1 N1 C1 176.0(3) . . . . ?
 C73 N2 C74 C75 0.5(3) . . . . ?
 C73 N2 C74 C78 179.7(3) . . . . ?
 C73 N3 C75 C74 1.3(3) . . . . ?
 C73 N3 C75 C79 -176.1(3) . . . . ?
 C74 N2 C73 Ge1 -177.65(19) . . . . ?
 C74 N2 C73 N3 0.3(3) . . . . ?
 C75 N3 C73 Ge1 176.6(2) . . . . ?
 C75 N3 C73 N2 -1.0(3) . . . . ?
 C76 N3 C73 Ge1 -3.9(5) . . . . ?
 C76 N3 C73 N2 178.5(3) . . . . ?
 C76 N3 C75 C74 -178.2(3) . . . . ?
 C76 N3 C75 C79 4.4(5) . . . . ?
 C77 N2 C73 Ge1 1.7(4) . . . . ?
 C77 N2 C73 N3 179.7(3) . . . . ?
 C77 N2 C74 C75 -178.9(3) . . . . ?
 C77 N2 C74 C78 0.3(5) . . . . ?
 C78 C74 C75 N3 179.9(3) . . . . ?
 C78 C74 C75 C79 -3.0(6) . . . . ?
 C28 C18 C19 C20 178.4(4) . . . . ?
 C28 C18 C19 C32 -7.2(8) . . . . ?
 C28 C31 C35 C32 -65.0(10) . . . . ?
 C29 C28 C31 C35 173.4(7) . . . . ?
 C30 C28 C31 C35 -69.3(9) . . . . ?
 C32 C19 C20 C21 -175.9(6) . . . . ?
 C33 C32 C35 C31 -79.5(11) . . . . ?
 C34 C32 C35 C31 162.9(10) . . . . ?
 C36 C25 C26 C27 177.2(3) . . . . ?
 C36 C39 C43 C40 63.9(6) . . . . ?
 C37 C36 C39 C43 77.3(6) . . . . ?
 C38 C36 C39 C43 -163.6(5) . . . . ?
 C40 C24 C25 C26 -174.7(3) . . . . ?
 C40 C24 C25 C36 4.8(5) . . . . ?
 C41 C40 C43 C39 -167.8(4) . . . . ?
 C42 C40 C43 C39 74.0(5) . . . . ?
 C57 C54 C55 C56 -176.8(8) . . . . ?
 C57 C60 C64 C61 -63(2) . . . . ?
 C58 C57 C60 C64 -78(2) . . . . ?
 C59 C57 C60 C64 163(2) . . . . ?
 C61 C53 C54 C55 175.0(8) . . . . ?
 C61 C53 C54 C57 -7.3(13) . . . . ?
 C62 C61 C64 C60 169.1(17) . . . . ?
 C63 C61 C64 C60 -72(2) . . . . ?
 C28A C18 C19 C20 179.9(4) . . . . ?
 C28A C18 C19 C32A 7.2(8) . . . . ?
 C28A C31A C35A C32A 64.6(11) . . . . ?
 C29A C28A C31A C35A 70.3(9) . . . . ?
 C30A C28A C31A C35A -171.4(8) . . . . ?
 C32A C19 C20 C21 172.0(7) . . . . ?
 C33A C32A C35A C31A -164.0(10) . . . . ?
 C34A C32A C35A C31A 77.6(11) . . . . ?
 C36A C25 C26 C27 175.2(8) . . . . ?
 C36A C39A C43A C40A -62(2) . . . . ?
 C37A C36A C39A C43A 167(2) . . . . ?
 C38A C36A C39A C43A -73(2) . . . . ?
 C40A C24 C25 C26 165.4(8) . . . . ?
 C40A C24 C25 C36A -12.8(13) . . . . ?
 C41A C40A C43A C39A -76.5(18) . . . . ?
 C42A C40A C43A C39A 162.5(16) . . . . ?
 C57A C54 C55 C56 -176.3(3) . . . . ?
 C57A C60A C64A C61A 62.2(6) . . . . ?
 C58A C57A C60A C64A -164.9(5) . . . . ?
 C59A C57A C60A C64A 75.9(6) . . . . ?
 C61A C53 C54 C55 -178.8(3) . . . . ?
 C61A C53 C54 C57A -1.5(5) . . . . ?
 C62A C61A C64A C60A 72.6(6) . . . . ?
 C63A C61A C64A C60A -168.2(4) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
