data_171204zd_etp5q_0m
_audit_creation_date              2017-12-07
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_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          'C61 H82 N2 O10, C5 H13 N'
_chemical_formula_sum             'C66 H95 N3 O10'
_chemical_formula_weight          1090.45
_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' 0.0180 0.0090 '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' 0.0310 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0490 0.0320 '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       'triclinic'
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                    12.4043(3)
_cell_length_b                    12.7618(3)
_cell_length_c                    22.4296(5)
_cell_angle_alpha                 97.3360(10)
_cell_angle_beta                  100.5000(10)
_cell_angle_gamma                 113.6740(10)
_cell_volume                      3116.82(13)
_cell_formula_units_Z             2
_cell_measurement_reflns_used     9393
_cell_measurement_temperature     173.15
_cell_measurement_theta_max       66.70
_cell_measurement_theta_min       3.97
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     0.613
_exptl_absorpt_correction_T_max   0.3182
_exptl_absorpt_correction_T_min   0.2277
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0961 before and 0.0468 after correction.
The Ratio of minimum to maximum transmission is 0.7156.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             colourless
_exptl_crystal_colour_primary     colourless
_exptl_crystal_density_diffrn     1.162
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              1184
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0266
_diffrn_reflns_av_unetI/netI      0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_h_min        -14
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_k_min        -15
_diffrn_reflns_limit_l_max        26
_diffrn_reflns_limit_l_min        -26
_diffrn_reflns_number             50499
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full         66.709
_diffrn_reflns_theta_max          66.709
_diffrn_reflns_theta_min          3.880
_diffrn_ambient_temperature       173.15
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54178
_diffrn_source                    ?
_diffrn_special_details           ?
_diffrn_standards_number          0
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 9440
_reflns_number_total              10931
_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        ?
_computing_data_collection        ?
_computing_data_reduction         ?
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2015)'
_computing_structure_solution     'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max          0.664
_refine_diff_density_min          -0.424
_refine_diff_density_rms          0.045
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.052
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      794
_refine_ls_number_reflns          10931
_refine_ls_number_restraints      93
_refine_ls_R_factor_all           0.0711
_refine_ls_R_factor_gt            0.0637
_refine_ls_restrained_S_all       1.070
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0923P)²+1.8335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1787
_refine_ls_wR_factor_ref          0.1854
_refine_special_details           ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups, All N(H) groups,
  All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Restrained distances
 C63-C62
 1.5 with sigma of 0.01
 C63-C64
 1.5 with sigma of 0.01
 H3D-H12C
 2.2 with sigma of 0.01
3. Rigid body (RIGU) restrains
 C5, C6, C7, C6A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C11, C12A, C12, C13, C13A, C14, C15A, C15, C14A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N3, C62, C63, C64, C65, C66
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(H5B)=Sof(C6A)=Sof(H6AA)=Sof(H6AB)=Sof(H6AC)=Sof(C7A)=Sof(H7AA)=Sof(H7AB)=
 Sof(H7AC)=1-FVAR(1)
 Sof(H5A)=Sof(C6)=Sof(H6A)=Sof(H6B)=Sof(H6C)=Sof(C7)=Sof(H7A)=Sof(H7B)=
 Sof(H7C)=FVAR(1)
 Sof(H11C)=Sof(H11D)=Sof(C12A)=Sof(H12C)=Sof(H12D)=Sof(C13A)=Sof(H13A)=
 Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=Sof(C14A)=Sof(H14D)=Sof(H14E)=
 Sof(H14F)=1-FVAR(2)
 Sof(H11A)=Sof(H11B)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(C13)=Sof(H13)=Sof(C14)=
 Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=FVAR(2)
 Sof(H63C)=Sof(H63D)=Sof(H65D)=Sof(H65E)=Sof(H65F)=Sof(H66D)=Sof(H66E)=
 Sof(H66F)=Sof(C64A)=Sof(H64A)=1-FVAR(3)
 Sof(H63A)=Sof(H63B)=Sof(C64)=Sof(H64)=Sof(H65A)=Sof(H65B)=Sof(H65C)=Sof(H66A)=
 Sof(H66B)=Sof(H66C)=FVAR(3)
5.a Ternary CH refined with riding coordinates:
 C5(H5A), C5(H5B), C13(H13), C64(H64), C13A(H13A), C64A(H64A)
5.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C11(H11A,H11B), C11(H11C,H11D), C12(H12A,H12B),
 C17(H17A,H17B), C20(H20A,H20B), C25(H25A,H25B), C28(H28A,H28B), C31(H31A,H31B),
  C36(H36A,H36B), C39(H39A,H39B), C42(H42A,H42B), C47(H47A,H47B), C50(H50A,
 H50B), C53(H53A,H53B), C58(H58A,H58B), C61(H61A,H61B), C62(H62A,H62B),
 C63(H63C,H63D), C63(H63A,H63B), C12A(H12C,H12D)
5.c Me refined with riding coordinates:
 C65(H65A,H65B,H65C), C65(H65D,H65E,H65F), C66(H66A,H66B,H66C), C66(H66D,H66E,
 H66F)
5.d Aromatic/amide H refined with riding coordinates:
 N1(H1), N2(H2), C22(H22), C27(H27), C33(H33), C38(H38), C44(H44), C49(H49),
 C55(H55), C60(H60)
5.e X=CH2 refined with riding coordinates:
 N3(H3C,H3D)
5.f Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C),
 C21(H21A,H21B,H21C), C26(H26A,H26B,H26C), C32(H32A,H32B,H32C), C37(H37A,H37B,
 H37C), C43(H43A,H43B,H43C), C48(H48A,H48B,H48C), C54(H54A,H54B,H54C), C59(H59A,
 H59B,H59C), C6A(H6AA,H6AB,H6AC), C15A(H15D,H15E,H15F), C14A(H14D,H14E,H14F),
 C7A(H7AA,H7AB,H7AC)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      direct
_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
 O1 O 0.89128(16) 0.53800(15) 0.46719(9) 0.0621(5) Uani 1 1 d . . . . .
 O2 O 0.42976(16) 0.23220(16) 0.41992(9) 0.0627(5) Uani 1 1 d . . . . .
 O3 O 0.54501(16) 0.69592(15) 0.37855(8) 0.0547(4) Uani 1 1 d . . . . .
 O4 O 0.89285(14) 0.69180(15) 0.25592(8) 0.0511(4) Uani 1 1 d . . . . .
 O5 O 0.45429(14) 0.60529(14) 0.14754(7) 0.0490(4) Uani 1 1 d . . . . .
 O6 O 0.72692(15) 0.42136(15) 0.04058(8) 0.0554(4) Uani 1 1 d . . . . .
 O7 O 0.25421(15) 0.19123(15) 0.03239(8) 0.0534(4) Uani 1 1 d . . . . .
 O8 O 0.59125(13) 0.01901(13) 0.10241(6) 0.0432(3) Uani 1 1 d . . . . .
 O9 O 0.24602(14) -0.01254(18) 0.21230(7) 0.0588(5) Uani 1 1 d . . . . .
 O10 O 0.70534(13) 0.04723(14) 0.33202(6) 0.0436(3) Uani 1 1 d . . . . .
 N1 N 0.85034(17) 0.32357(17) 0.45931(8) 0.0467(4) Uani 1 1 d . . . . .
 H1 H 0.9182 0.3878 0.4655 0.056 Uiso 1 1 calc R . . . .
 N2 N 0.47826(19) 0.45890(19) 0.41235(10) 0.0541(5) Uani 1 1 d . . . . .
 H2 H 0.5022 0.5345 0.4144 0.065 Uiso 1 1 calc R . . . .
 C1 C 0.7810(2) 0.4688(2) 0.45172(10) 0.0467(5) Uani 1 1 d . . . . .
 C2 C 0.7485(2) 0.33768(19) 0.44447(9) 0.0423(5) Uani 1 1 d . . . . .
 C3 C 0.8671(2) 0.21894(19) 0.46691(10) 0.0433(5) Uani 1 1 d . . . . .
 H3A H 0.9528 0.2353 0.4684 0.052 Uiso 1 1 calc R . . . .
 H3B H 0.8145 0.1546 0.4302 0.052 Uiso 1 1 calc R . . . .
 C4 C 0.8373(2) 0.1784(2) 0.52534(10) 0.0455(5) Uani 1 1 d . . . . .
 H4A H 0.7546 0.1698 0.5260 0.055 Uiso 1 1 calc R . . . .
 H4B H 0.8956 0.2392 0.5623 0.055 Uiso 1 1 calc R . . . .
 C5 C 0.8427(3) 0.0621(2) 0.52942(13) 0.0589(6) Uani 1 1 d . U . . .
 H5A H 0.9224 0.0721 0.5212 0.071 Uiso 0.589(7) 1 calc R . P A 1
 H5B H 0.7825 0.0078 0.4902 0.071 Uiso 0.411(7) 1 calc R . P A 2
 C6 C 0.8514(7) 0.0401(5) 0.5981(3) 0.0690(16) Uani 0.589(7) 1 d . U P A 1
 H6A H 0.9272 0.1012 0.6262 0.103 Uiso 0.589(7) 1 calc GR . P A 1
 H6B H 0.8506 -0.0370 0.5983 0.103 Uiso 0.589(7) 1 calc GR . P A 1
 H6C H 0.7817 0.0424 0.6119 0.103 Uiso 0.589(7) 1 calc GR . P A 1
 C7 C 0.7525(5) -0.0465(4) 0.4863(2) 0.0740(17) Uani 0.589(7) 1 d . U P A 1
 H7A H 0.6719 -0.0639 0.4932 0.111 Uiso 0.589(7) 1 calc GR . P A 1
 H7B H 0.7736 -0.1109 0.4932 0.111 Uiso 0.589(7) 1 calc GR . P A 1
 H7C H 0.7513 -0.0375 0.4434 0.111 Uiso 0.589(7) 1 calc GR . P A 1
 C8 C 0.6279(2) 0.25572(19) 0.42446(9) 0.0408(5) Uani 1 1 d . . . . .
 C9 C 0.5368(2) 0.2985(2) 0.42295(10) 0.0452(5) Uani 1 1 d . . . . .
 C10 C 0.5690(2) 0.4273(2) 0.42510(10) 0.0443(5) Uani 1 1 d . . . . .
 C11 C 0.3468(3) 0.3897(3) 0.39563(16) 0.0690(8) Uani 1 1 d . U . . .
 H11A H 0.3221 0.3476 0.4285 0.083 Uiso 0.555(7) 1 calc R . P B 1
 H11B H 0.3208 0.3310 0.3562 0.083 Uiso 0.555(7) 1 calc R . P B 1
 H11C H 0.3160 0.3966 0.4330 0.083 Uiso 0.445(7) 1 calc R . P B 2
 H11D H 0.3272 0.3061 0.3808 0.083 Uiso 0.445(7) 1 calc R . P B 2
 C12 C 0.2891(5) 0.4699(4) 0.3883(2) 0.0519(13) Uani 0.555(7) 1 d . U P B 1
 H12A H 0.3120 0.5086 0.3541 0.062 Uiso 0.555(7) 1 calc R . P B 1
 H12B H 0.3213 0.5318 0.4270 0.062 Uiso 0.555(7) 1 calc R . P B 1
 C13 C 0.1522(6) 0.4097(5) 0.3748(3) 0.0701(17) Uani 0.555(7) 1 d . U P B 1
 H13 H 0.1309 0.3690 0.4091 0.084 Uiso 0.555(7) 1 calc R . P B 1
 C14 C 0.0956(10) 0.3168(10) 0.3140(8) 0.117(4) Uani 0.555(7) 1 d . U P B 1
 H14A H 0.1421 0.3440 0.2836 0.176 Uiso 0.555(7) 1 calc GR . P B 1
 H14B H 0.0111 0.3032 0.2977 0.176 Uiso 0.555(7) 1 calc GR . P B 1
 H14C H 0.0973 0.2434 0.3216 0.176 Uiso 0.555(7) 1 calc GR . P B 1
 C15 C 0.0996(5) 0.4986(6) 0.3744(4) 0.081(2) Uani 0.555(7) 1 d . U P B 1
 H15A H 0.1425 0.5610 0.4123 0.121 Uiso 0.555(7) 1 calc GR . P B 1
 H15B H 0.0128 0.4595 0.3729 0.121 Uiso 0.555(7) 1 calc GR . P B 1
 H15C H 0.1095 0.5325 0.3379 0.121 Uiso 0.555(7) 1 calc GR . P B 1
 C16 C 0.6884(2) 0.5076(2) 0.43932(10) 0.0450(5) Uani 1 1 d . . . . .
 C17 C 0.7269(2) 0.6374(2) 0.44142(10) 0.0495(5) Uani 1 1 d . . . . .
 H17A H 0.8112 0.6827 0.4678 0.059 Uiso 1 1 calc R . . . .
 H17B H 0.6733 0.6626 0.4610 0.059 Uiso 1 1 calc R . . . .
 C18 C 0.7209(2) 0.66551(19) 0.37695(10) 0.0455(5) Uani 1 1 d . . . . .
 C19 C 0.6300(2) 0.69180(19) 0.34697(10) 0.0454(5) Uani 1 1 d . . . . .
 C20 C 0.4846(4) 0.7661(3) 0.36241(16) 0.0874(11) Uani 1 1 d . . . . .
 H20A H 0.4218 0.7258 0.3225 0.105 Uiso 1 1 calc R . . . .
 H20B H 0.5439 0.8421 0.3573 0.105 Uiso 1 1 calc R . . . .
 C21 C 0.4264(5) 0.7869(4) 0.4125(2) 0.1195(18) Uani 1 1 d . . . . .
 H21A H 0.3867 0.8372 0.4021 0.179 Uiso 1 1 calc GR . . . .
 H21B H 0.4888 0.8254 0.4521 0.179 Uiso 1 1 calc GR . . . .
 H21C H 0.3656 0.7116 0.4163 0.179 Uiso 1 1 calc GR . . . .
 C22 C 0.6249(2) 0.71187(19) 0.28703(10) 0.0432(5) Uani 1 1 d . . . . .
 H22 H 0.5605 0.7276 0.2668 0.052 Uiso 1 1 calc R . . . .
 C23 C 0.7116(2) 0.70948(18) 0.25613(10) 0.0414(5) Uani 1 1 d . . . . .
 C24 C 0.8062(2) 0.68762(18) 0.28748(10) 0.0427(5) Uani 1 1 d . . . . .
 C25 C 0.9912(2) 0.6705(3) 0.28548(13) 0.0599(6) Uani 1 1 d . . . . .
 H25A H 0.9603 0.5898 0.2926 0.072 Uiso 1 1 calc R . . . .
 H25B H 1.0350 0.7265 0.3262 0.072 Uiso 1 1 calc R . . . .
 C26 C 1.0754(3) 0.6856(3) 0.24350(16) 0.0773(8) Uani 1 1 d . . . . .
 H26A H 1.0318 0.6283 0.2038 0.116 Uiso 1 1 calc GR . . . .
 H26B H 1.1454 0.6734 0.2633 0.116 Uiso 1 1 calc GR . . . .
 H26C H 1.1040 0.7652 0.2360 0.116 Uiso 1 1 calc GR . . . .
 C27 C 0.8087(2) 0.66437(18) 0.34657(10) 0.0449(5) Uani 1 1 d . . . . .
 H27 H 0.8721 0.6473 0.3667 0.054 Uiso 1 1 calc R . . . .
 C28 C 0.7047(2) 0.73120(18) 0.19093(10) 0.0430(5) Uani 1 1 d . . . . .
 H28A H 0.7881 0.7788 0.1876 0.052 Uiso 1 1 calc R . . . .
 H28B H 0.6576 0.7774 0.1840 0.052 Uiso 1 1 calc R . . . .
 C29 C 0.64617(19) 0.61952(18) 0.14024(9) 0.0396(4) Uani 1 1 d . . . . .
 C30 C 0.5198(2) 0.55826(19) 0.11947(10) 0.0404(5) Uani 1 1 d . . . . .
 C31 C 0.3247(2) 0.5464(3) 0.12641(13) 0.0587(6) Uani 1 1 d . . . . .
 H31A H 0.2953 0.4626 0.1281 0.070 Uiso 1 1 calc R . . . .
 H31B H 0.2976 0.5512 0.0829 0.070 Uiso 1 1 calc R . . . .
 C32 C 0.2752(3) 0.6068(3) 0.16900(17) 0.0759(8) Uani 1 1 d . . . . .
 H32A H 0.1867 0.5747 0.1531 0.114 Uiso 1 1 calc GR . . . .
 H32B H 0.3123 0.6912 0.1706 0.114 Uiso 1 1 calc GR . . . .
 H32C H 0.2947 0.5935 0.2109 0.114 Uiso 1 1 calc GR . . . .
 C33 C 0.4664(2) 0.45656(19) 0.07308(9) 0.0408(5) Uani 1 1 d . . . . .
 H33 H 0.3801 0.4173 0.0586 0.049 Uiso 1 1 calc R . . . .
 C34 C 0.5360(2) 0.41063(19) 0.04722(9) 0.0407(5) Uani 1 1 d . . . . .
 C35 C 0.6621(2) 0.47170(19) 0.06777(10) 0.0431(5) Uani 1 1 d . . . . .
 C36 C 0.8554(2) 0.4744(2) 0.06189(13) 0.0566(6) Uani 1 1 d . . . . .
 H36A H 0.8807 0.4884 0.1078 0.068 Uiso 1 1 calc R . . . .
 H36B H 0.8906 0.5505 0.0497 0.068 Uiso 1 1 calc R . . . .
 C37 C 0.8985(3) 0.3905(3) 0.03217(17) 0.0749(8) Uani 1 1 d . . . . .
 H37A H 0.8703 0.3752 -0.0132 0.112 Uiso 1 1 calc GR . . . .
 H37B H 0.8654 0.3166 0.0458 0.112 Uiso 1 1 calc GR . . . .
 H37C H 0.9877 0.4253 0.0446 0.112 Uiso 1 1 calc GR . . . .
 C38 C 0.7163(2) 0.57558(19) 0.11316(10) 0.0438(5) Uani 1 1 d . . . . .
 H38 H 0.8026 0.6172 0.1259 0.053 Uiso 1 1 calc R . . . .
 C39 C 0.4741(2) 0.29406(19) 0.00019(9) 0.0439(5) Uani 1 1 d . . . . .
 H39A H 0.3980 0.2876 -0.0267 0.053 Uiso 1 1 calc R . . . .
 H39B H 0.5283 0.2901 -0.0266 0.053 Uiso 1 1 calc R . . . .
 C40 C 0.44512(19) 0.19325(18) 0.03302(9) 0.0401(5) Uani 1 1 d . . . . .
 C41 C 0.3357(2) 0.14524(19) 0.05052(9) 0.0421(5) Uani 1 1 d . . . . .
 C42 C 0.1423(3) 0.1461(3) 0.04703(18) 0.0773(9) Uani 1 1 d . . . . .
 H42A H 0.1541 0.1629 0.0927 0.093 Uiso 1 1 calc R . . . .
 H42B H 0.0992 0.0600 0.0308 0.093 Uiso 1 1 calc R . . . .
 C43 C 0.0695(3) 0.2053(3) 0.0168(2) 0.0997(13) Uani 1 1 d . . . . .
 H43A H 0.0603 0.1896 -0.0282 0.150 Uiso 1 1 calc GR . . . .
 H43B H 0.1123 0.2902 0.0340 0.150 Uiso 1 1 calc GR . . . .
 H43C H -0.0111 0.1745 0.0252 0.150 Uiso 1 1 calc GR . . . .
 C44 C 0.31370(19) 0.05732(19) 0.08349(9) 0.0423(5) Uani 1 1 d . . . . .
 H44 H 0.2385 0.0252 0.0945 0.051 Uiso 1 1 calc R . . . .
 C45 C 0.39932(19) 0.01521(18) 0.10081(9) 0.0390(4) Uani 1 1 d . . . . .
 C46 C 0.50856(19) 0.06255(18) 0.08331(9) 0.0386(4) Uani 1 1 d . . . . .
 C47 C 0.7021(2) 0.0627(2) 0.08359(10) 0.0456(5) Uani 1 1 d . . . . .
 H47A H 0.7476 0.1487 0.0996 0.055 Uiso 1 1 calc R . . . .
 H47B H 0.6848 0.0457 0.0376 0.055 Uiso 1 1 calc R . . . .
 C48 C 0.7759(2) 0.0019(2) 0.11006(12) 0.0561(6) Uani 1 1 d . . . . .
 H48A H 0.7299 -0.0831 0.0938 0.084 Uiso 1 1 calc GR . . . .
 H48B H 0.7926 0.0195 0.1555 0.084 Uiso 1 1 calc GR . . . .
 H48C H 0.8530 0.0298 0.0980 0.084 Uiso 1 1 calc GR . . . .
 C49 C 0.52963(19) 0.14937(18) 0.04940(9) 0.0398(4) Uani 1 1 d . . . . .
 H49 H 0.6036 0.1795 0.0371 0.048 Uiso 1 1 calc R . . . .
 C50 C 0.3754(2) -0.07947(19) 0.13826(9) 0.0422(5) Uani 1 1 d . . . . .
 H50A H 0.2864 -0.1281 0.1293 0.051 Uiso 1 1 calc R . . . .
 H50B H 0.4125 -0.1312 0.1249 0.051 Uiso 1 1 calc R . . . .
 C51 C 0.42626(18) -0.02919(18) 0.20785(9) 0.0387(4) Uani 1 1 d . . . . .
 C52 C 0.36076(19) 0.0049(2) 0.24390(10) 0.0435(5) Uani 1 1 d . . . . .
 C53 C 0.1787(2) 0.0296(3) 0.24515(13) 0.0681(8) Uani 1 1 d . . . . .
 H53A H 0.2241 0.1154 0.2617 0.082 Uiso 1 1 calc R . . . .
 H53B H 0.1636 -0.0089 0.2804 0.082 Uiso 1 1 calc R . . . .
 C54 C 0.0598(3) 0.0005(4) 0.19943(16) 0.0896(11) Uani 1 1 d . . . . .
 H54A H 0.0760 0.0414 0.1656 0.134 Uiso 1 1 calc GR . . . .
 H54B H 0.0089 0.0255 0.2207 0.134 Uiso 1 1 calc GR . . . .
 H54C H 0.0172 -0.0844 0.1823 0.134 Uiso 1 1 calc GR . . . .
 C55 C 0.40992(19) 0.0522(2) 0.30750(10) 0.0434(5) Uani 1 1 d . . . . .
 H55 H 0.3628 0.0735 0.3312 0.052 Uiso 1 1 calc R . . . .
 C56 C 0.52656(18) 0.06924(17) 0.33729(9) 0.0373(4) Uani 1 1 d . . . . .
 C57 C 0.59194(18) 0.03432(17) 0.30118(9) 0.0361(4) Uani 1 1 d . . . . .
 C58 C 0.7785(2) 0.0218(2) 0.29563(10) 0.0448(5) Uani 1 1 d . . . . .
 H58A H 0.8065 0.0820 0.2710 0.054 Uiso 1 1 calc R . . . .
 H58B H 0.7303 -0.0557 0.2665 0.054 Uiso 1 1 calc R . . . .
 C59 C 0.8861(2) 0.0213(3) 0.33877(12) 0.0629(7) Uani 1 1 d . . . . .
 H59A H 0.9358 0.0011 0.3144 0.094 Uiso 1 1 calc GR . . . .
 H59B H 0.8575 -0.0369 0.3638 0.094 Uiso 1 1 calc GR . . . .
 H59C H 0.9351 0.0992 0.3663 0.094 Uiso 1 1 calc GR . . . .
 C60 C 0.54177(18) -0.01409(17) 0.23756(9) 0.0376(4) Uani 1 1 d . . . . .
 H60 H 0.5878 -0.0374 0.2139 0.045 Uiso 1 1 calc R . . . .
 C61 C 0.5777(2) 0.12262(18) 0.40734(9) 0.0404(4) Uani 1 1 d . . . . .
 H61A H 0.5123 0.0882 0.4284 0.048 Uiso 1 1 calc R . . . .
 H61B H 0.6435 0.1004 0.4233 0.048 Uiso 1 1 calc R . . . .
 N3 N 0.3858(5) 0.3325(7) 0.2133(3) 0.215(3) Uani 1 1 d . U . . .
 H3C H 0.3640 0.3326 0.1738 0.258 Uiso 1 1 calc R . . . .
 H3D H 0.3365 0.3310 0.2372 0.258 Uiso 1 1 calc DR . . . .
 C62 C 0.4907(5) 0.3345(5) 0.2365(2) 0.1304(17) Uani 1 1 d D U . . .
 H62A H 0.4703 0.2652 0.2553 0.157 Uiso 1 1 calc R . . . .
 H62B H 0.5302 0.4035 0.2719 0.157 Uiso 1 1 calc R . . . .
 C63 C 0.5876(5) 0.3371(6) 0.21018(19) 0.1288(17) Uani 1 1 d D U . . .
 H63C H 0.5591 0.2547 0.1882 0.155 Uiso 0.400(14) 1 calc R . P C 2
 H63D H 0.5837 0.3807 0.1770 0.155 Uiso 0.400(14) 1 calc R . P C 2
 H63A H 0.5462 0.2921 0.1668 0.155 Uiso 0.600(14) 1 calc R . P C 1
 H63B H 0.6301 0.4199 0.2073 0.155 Uiso 0.600(14) 1 calc R . P C 1
 C64 C 0.6827(6) 0.3042(8) 0.2278(2) 0.082(2) Uani 0.600(14) 1 d D U P C 1
 H64 H 0.6433 0.2164 0.2170 0.098 Uiso 0.600(14) 1 calc R . P C 1
 C65 C 0.7461(4) 0.3391(4) 0.29659(16) 0.1091(14) Uani 1 1 d . U . . .
 H65A H 0.8101 0.3121 0.3037 0.164 Uiso 0.600(14) 1 calc R . P C 1
 H65B H 0.7825 0.4247 0.3106 0.164 Uiso 0.600(14) 1 calc R . P C 1
 H65C H 0.6867 0.3030 0.3200 0.164 Uiso 0.600(14) 1 calc R . P C 1
 H65D H 0.8349 0.3698 0.3099 0.164 Uiso 0.400(14) 1 calc R . P C 2
 H65E H 0.7174 0.3720 0.3287 0.164 Uiso 0.400(14) 1 calc R . P C 2
 H65F H 0.7090 0.2533 0.2901 0.164 Uiso 0.400(14) 1 calc R . P C 2
 C66 C 0.7777(5) 0.3399(4) 0.19355(18) 0.1163(15) Uani 1 1 d . U . . .
 H66A H 0.8393 0.3133 0.2089 0.174 Uiso 0.600(14) 1 calc R . P C 1
 H66B H 0.7409 0.3046 0.1491 0.174 Uiso 0.600(14) 1 calc R . P C 1
 H66C H 0.8162 0.4256 0.1999 0.174 Uiso 0.600(14) 1 calc R . P C 1
 H66D H 0.8637 0.3719 0.2161 0.174 Uiso 0.400(14) 1 calc R . P C 2
 H66E H 0.7435 0.2541 0.1818 0.174 Uiso 0.400(14) 1 calc R . P C 2
 H66F H 0.7710 0.3711 0.1560 0.174 Uiso 0.400(14) 1 calc R . P C 2
 C6A C 0.9490(6) 0.0556(6) 0.5242(3) 0.063(2) Uani 0.411(7) 1 d . U P A 2
 H6AA H 0.9692 0.0804 0.4865 0.094 Uiso 0.411(7) 1 calc GR . P A 2
 H6AB H 0.9380 -0.0254 0.5217 0.094 Uiso 0.411(7) 1 calc GR . P A 2
 H6AC H 1.0152 0.1072 0.5606 0.094 Uiso 0.411(7) 1 calc GR . P A 2
 C12A C 0.2838(9) 0.4292(10) 0.3458(5) 0.156(6) Uani 0.445(7) 1 d . U P B 2
 H12C H 0.3292 0.4422 0.3134 0.187 Uiso 0.445(7) 1 calc DR . P B 2
 H12D H 0.2867 0.5054 0.3642 0.187 Uiso 0.445(7) 1 calc R . P B 2
 C13A C 0.1374(14) 0.334(2) 0.3118(10) 0.148(7) Uani 0.445(7) 1 d . U P B 2
 H13A H 0.1275 0.2543 0.3171 0.178 Uiso 0.445(7) 1 calc R . P B 2
 C15A C 0.0819(13) 0.378(2) 0.3582(8) 0.158(6) Uani 0.445(7) 1 d . U P B 2
 H15D H 0.1115 0.3667 0.3992 0.237 Uiso 0.445(7) 1 calc GR . P B 2
 H15E H -0.0071 0.3348 0.3447 0.237 Uiso 0.445(7) 1 calc GR . P B 2
 H15F H 0.1053 0.4621 0.3605 0.237 Uiso 0.445(7) 1 calc GR . P B 2
 C14A C 0.0964(13) 0.3263(18) 0.2488(8) 0.195(8) Uani 0.445(7) 1 d . U P B 2
 H14D H 0.0889 0.3981 0.2429 0.292 Uiso 0.445(7) 1 calc GR . P B 2
 H14E H 0.0167 0.2586 0.2321 0.292 Uiso 0.445(7) 1 calc GR . P B 2
 H14F H 0.1546 0.3167 0.2270 0.292 Uiso 0.445(7) 1 calc GR . P B 2
 C7A C 0.7825(10) 0.0189(8) 0.5778(5) 0.072(2) Uani 0.411(7) 1 d . . P A 2
 H7AA H 0.8350 0.0664 0.6188 0.107 Uiso 0.411(7) 1 calc GR . P A 2
 H7AB H 0.7673 -0.0632 0.5756 0.107 Uiso 0.411(7) 1 calc GR . P A 2
 H7AC H 0.7049 0.0246 0.5713 0.107 Uiso 0.411(7) 1 calc GR . P A 2
 C64A C 0.7093(8) 0.3743(11) 0.2342(3) 0.059(3) Uani 0.400(14) 1 d . . P C 2
 H64A H 0.7463 0.4620 0.2439 0.071 Uiso 0.400(14) 1 calc R . 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
 O1 C1 1.245(3) . ?
 O2 C9 1.239(3) . ?
 O3 C19 1.387(3) . ?
 O3 C20 1.421(3) . ?
 O4 C24 1.378(3) . ?
 O4 C25 1.422(3) . ?
 O5 C30 1.378(2) . ?
 O5 C31 1.426(3) . ?
 O6 C35 1.387(2) . ?
 O6 C36 1.414(3) . ?
 O7 C41 1.385(3) . ?
 O7 C42 1.392(3) . ?
 O8 C46 1.379(2) . ?
 O8 C47 1.427(3) . ?
 O9 C52 1.384(3) . ?
 O9 C53 1.419(3) . ?
 O10 C57 1.384(2) . ?
 O10 C58 1.426(2) . ?
 N1 H1 0.8800 . ?
 N1 C2 1.335(3) . ?
 N1 C3 1.457(3) . ?
 N2 H2 0.8800 . ?
 N2 C10 1.337(3) . ?
 N2 C11 1.454(3) . ?
 C1 C2 1.535(3) . ?
 C1 C16 1.420(3) . ?
 C2 C8 1.383(3) . ?
 C3 H3A 0.9900 . ?
 C3 H3B 0.9900 . ?
 C3 C4 1.523(3) . ?
 C4 H4A 0.9900 . ?
 C4 H4B 0.9900 . ?
 C4 C5 1.525(3) . ?
 C5 H5A 1.0000 . ?
 C5 H5B 1.0000 . ?
 C5 C6 1.592(6) . ?
 C5 C7 1.458(5) . ?
 C5 C6A 1.379(7) . ?
 C5 C7A 1.469(9) . ?
 C6 H6A 0.9800 . ?
 C6 H6B 0.9800 . ?
 C6 H6C 0.9800 . ?
 C7 H7A 0.9800 . ?
 C7 H7B 0.9800 . ?
 C7 H7C 0.9800 . ?
 C8 C9 1.436(3) . ?
 C8 C61 1.522(3) . ?
 C9 C10 1.519(3) . ?
 C10 C16 1.368(3) . ?
 C11 H11A 0.9900 . ?
 C11 H11B 0.9900 . ?
 C11 H11C 0.9900 . ?
 C11 H11D 0.9900 . ?
 C11 C12 1.474(5) . ?
 C11 C12A 1.502(11) . ?
 C12 H12A 0.9900 . ?
 C12 H12B 0.9900 . ?
 C12 C13 1.507(8) . ?
 C13 H13 1.0000 . ?
 C13 C14 1.526(16) . ?
 C13 C15 1.519(7) . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C15 H15A 0.9800 . ?
 C15 H15B 0.9800 . ?
 C15 H15C 0.9800 . ?
 C16 C17 1.519(3) . ?
 C17 H17A 0.9900 . ?
 C17 H17B 0.9900 . ?
 C17 C18 1.530(3) . ?
 C18 C19 1.386(3) . ?
 C18 C27 1.390(3) . ?
 C19 C22 1.395(3) . ?
 C20 H20A 0.9900 . ?
 C20 H20B 0.9900 . ?
 C20 C21 1.492(4) . ?
 C21 H21A 0.9800 . ?
 C21 H21B 0.9800 . ?
 C21 H21C 0.9800 . ?
 C22 H22 0.9500 . ?
 C22 C23 1.389(3) . ?
 C23 C24 1.401(3) . ?
 C23 C28 1.516(3) . ?
 C24 C27 1.392(3) . ?
 C25 H25A 0.9900 . ?
 C25 H25B 0.9900 . ?
 C25 C26 1.503(4) . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?
 C26 H26C 0.9800 . ?
 C27 H27 0.9500 . ?
 C28 H28A 0.9900 . ?
 C28 H28B 0.9900 . ?
 C28 C29 1.518(3) . ?
 C29 C30 1.394(3) . ?
 C29 C38 1.392(3) . ?
 C30 C33 1.385(3) . ?
 C31 H31A 0.9900 . ?
 C31 H31B 0.9900 . ?
 C31 C32 1.513(4) . ?
 C32 H32A 0.9800 . ?
 C32 H32B 0.9800 . ?
 C32 H32C 0.9800 . ?
 C33 H33 0.9500 . ?
 C33 C34 1.389(3) . ?
 C34 C35 1.390(3) . ?
 C34 C39 1.517(3) . ?
 C35 C38 1.391(3) . ?
 C36 H36A 0.9900 . ?
 C36 H36B 0.9900 . ?
 C36 C37 1.511(3) . ?
 C37 H37A 0.9800 . ?
 C37 H37B 0.9800 . ?
 C37 H37C 0.9800 . ?
 C38 H38 0.9500 . ?
 C39 H39A 0.9900 . ?
 C39 H39B 0.9900 . ?
 C39 C40 1.515(3) . ?
 C40 C41 1.400(3) . ?
 C40 C49 1.390(3) . ?
 C41 C44 1.386(3) . ?
 C42 H42A 0.9900 . ?
 C42 H42B 0.9900 . ?
 C42 C43 1.517(4) . ?
 C43 H43A 0.9800 . ?
 C43 H43B 0.9800 . ?
 C43 H43C 0.9800 . ?
 C44 H44 0.9500 . ?
 C44 C45 1.389(3) . ?
 C45 C46 1.397(3) . ?
 C45 C50 1.522(3) . ?
 C46 C49 1.389(3) . ?
 C47 H47A 0.9900 . ?
 C47 H47B 0.9900 . ?
 C47 C48 1.510(3) . ?
 C48 H48A 0.9800 . ?
 C48 H48B 0.9800 . ?
 C48 H48C 0.9800 . ?
 C49 H49 0.9500 . ?
 C50 H50A 0.9900 . ?
 C50 H50B 0.9900 . ?
 C50 C51 1.519(3) . ?
 C51 C52 1.392(3) . ?
 C51 C60 1.390(3) . ?
 C52 C55 1.392(3) . ?
 C53 H53A 0.9900 . ?
 C53 H53B 0.9900 . ?
 C53 C54 1.509(4) . ?
 C54 H54A 0.9800 . ?
 C54 H54B 0.9800 . ?
 C54 H54C 0.9800 . ?
 C55 H55 0.9500 . ?
 C55 C56 1.395(3) . ?
 C56 C57 1.396(3) . ?
 C56 C61 1.533(3) . ?
 C57 C60 1.396(3) . ?
 C58 H58A 0.9900 . ?
 C58 H58B 0.9900 . ?
 C58 C59 1.502(3) . ?
 C59 H59A 0.9800 . ?
 C59 H59B 0.9800 . ?
 C59 H59C 0.9800 . ?
 C60 H60 0.9500 . ?
 C61 H61A 0.9900 . ?
 C61 H61B 0.9900 . ?
 N3 H3C 0.8800 . ?
 N3 H3D 0.8800 . ?
 N3 C62 1.299(6) . ?
 C62 H62A 0.9900 . ?
 C62 H62B 0.9900 . ?
 C62 C63 1.423(5) . ?
 C63 H63C 0.9900 . ?
 C63 H63D 0.9900 . ?
 C63 H63A 0.9900 . ?
 C63 H63B 0.9900 . ?
 C63 C64 1.412(6) . ?
 C63 C64A 1.363(9) . ?
 C64 H64 1.0000 . ?
 C64 C65 1.517(6) . ?
 C64 C66 1.475(8) . ?
 C65 H65A 0.9800 . ?
 C65 H65B 0.9800 . ?
 C65 H65C 0.9800 . ?
 C65 H65D 0.9800 . ?
 C65 H65E 0.9800 . ?
 C65 H65F 0.9800 . ?
 C65 C64A 1.569(8) . ?
 C66 H66A 0.9800 . ?
 C66 H66B 0.9800 . ?
 C66 H66C 0.9800 . ?
 C66 H66D 0.9800 . ?
 C66 H66E 0.9800 . ?
 C66 H66F 0.9800 . ?
 C66 C64A 1.492(9) . ?
 C6A H6AA 0.9800 . ?
 C6A H6AB 0.9800 . ?
 C6A H6AC 0.9800 . ?
 C12A H12C 0.9900 . ?
 C12A H12D 0.9900 . ?
 C12A C13A 1.69(2) . ?
 C13A H13A 1.0000 . ?
 C13A C15A 1.52(3) . ?
 C13A C14A 1.39(3) . ?
 C15A H15D 0.9800 . ?
 C15A H15E 0.9800 . ?
 C15A H15F 0.9800 . ?
 C14A H14D 0.9800 . ?
 C14A H14E 0.9800 . ?
 C14A H14F 0.9800 . ?
 C7A H7AA 0.9800 . ?
 C7A H7AB 0.9800 . ?
 C7A H7AC 0.9800 . ?
 C64A H64A 1.0000 . ?

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
 C19 O3 C20 117.99(18) . . ?
 C24 O4 C25 117.91(19) . . ?
 C30 O5 C31 117.57(18) . . ?
 C35 O6 C36 118.85(18) . . ?
 C41 O7 C42 118.74(19) . . ?
 C46 O8 C47 117.50(16) . . ?
 C52 O9 C53 118.35(19) . . ?
 C57 O10 C58 117.85(15) . . ?
 C2 N1 H1 114.8 . . ?
 C2 N1 C3 130.4(2) . . ?
 C3 N1 H1 114.8 . . ?
 C10 N2 H2 114.5 . . ?
 C10 N2 C11 131.0(2) . . ?
 C11 N2 H2 114.5 . . ?
 O1 C1 C2 116.86(19) . . ?
 O1 C1 C16 122.3(2) . . ?
 C16 C1 C2 120.8(2) . . ?
 N1 C2 C1 109.62(19) . . ?
 N1 C2 C8 130.5(2) . . ?
 C8 C2 C1 119.83(19) . . ?
 N1 C3 H3A 108.9 . . ?
 N1 C3 H3B 108.9 . . ?
 N1 C3 C4 113.34(17) . . ?
 H3A C3 H3B 107.7 . . ?
 C4 C3 H3A 108.9 . . ?
 C4 C3 H3B 108.9 . . ?
 C3 C4 H4A 109.0 . . ?
 C3 C4 H4B 109.0 . . ?
 C3 C4 C5 112.84(18) . . ?
 H4A C4 H4B 107.8 . . ?
 C5 C4 H4A 109.0 . . ?
 C5 C4 H4B 109.0 . . ?
 C4 C5 H5A 105.0 . . ?
 C4 C5 H5B 102.8 . . ?
 C4 C5 C6 112.0(3) . . ?
 C6 C5 H5A 105.0 . . ?
 C7 C5 C4 120.4(3) . . ?
 C7 C5 H5A 105.0 . . ?
 C7 C5 C6 108.0(3) . . ?
 C6A C5 C4 116.8(3) . . ?
 C6A C5 H5B 102.8 . . ?
 C6A C5 C7A 122.0(5) . . ?
 C7A C5 C4 106.8(4) . . ?
 C7A C5 H5B 102.8 . . ?
 C5 C6 H6A 109.5 . . ?
 C5 C6 H6B 109.5 . . ?
 C5 C6 H6C 109.5 . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 C5 C7 H7A 109.5 . . ?
 C5 C7 H7B 109.5 . . ?
 C5 C7 H7C 109.5 . . ?
 H7A C7 H7B 109.5 . . ?
 H7A C7 H7C 109.5 . . ?
 H7B C7 H7C 109.5 . . ?
 C2 C8 C9 117.4(2) . . ?
 C2 C8 C61 127.92(19) . . ?
 C9 C8 C61 114.58(19) . . ?
 O2 C9 C8 121.4(2) . . ?
 O2 C9 C10 117.8(2) . . ?
 C8 C9 C10 120.9(2) . . ?
 N2 C10 C9 118.4(2) . . ?
 N2 C10 C16 121.6(2) . . ?
 C16 C10 C9 120.02(19) . . ?
 N2 C11 H11A 110.0 . . ?
 N2 C11 H11B 110.0 . . ?
 N2 C11 H11C 109.2 . . ?
 N2 C11 H11D 109.2 . . ?
 N2 C11 C12 108.4(3) . . ?
 N2 C11 C12A 111.9(4) . . ?
 H11A C11 H11B 108.4 . . ?
 H11C C11 H11D 107.9 . . ?
 C12 C11 H11A 110.0 . . ?
 C12 C11 H11B 110.0 . . ?
 C12A C11 H11C 109.2 . . ?
 C12A C11 H11D 109.2 . . ?
 C11 C12 H12A 108.8 . . ?
 C11 C12 H12B 108.8 . . ?
 C11 C12 C13 113.6(4) . . ?
 H12A C12 H12B 107.7 . . ?
 C13 C12 H12A 108.8 . . ?
 C13 C12 H12B 108.8 . . ?
 C12 C13 H13 107.6 . . ?
 C12 C13 C14 111.7(8) . . ?
 C12 C13 C15 110.9(5) . . ?
 C14 C13 H13 107.6 . . ?
 C15 C13 H13 107.6 . . ?
 C15 C13 C14 111.1(7) . . ?
 C13 C14 H14A 109.5 . . ?
 C13 C14 H14B 109.5 . . ?
 C13 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C13 C15 H15A 109.5 . . ?
 C13 C15 H15B 109.5 . . ?
 C13 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 C1 C16 C17 118.1(2) . . ?
 C10 C16 C1 119.1(2) . . ?
 C10 C16 C17 122.8(2) . . ?
 C16 C17 H17A 109.0 . . ?
 C16 C17 H17B 109.0 . . ?
 C16 C17 C18 112.82(18) . . ?
 H17A C17 H17B 107.8 . . ?
 C18 C17 H17A 109.0 . . ?
 C18 C17 H17B 109.0 . . ?
 C19 C18 C17 122.4(2) . . ?
 C19 C18 C27 118.1(2) . . ?
 C27 C18 C17 119.6(2) . . ?
 O3 C19 C22 122.01(19) . . ?
 C18 C19 O3 117.48(19) . . ?
 C18 C19 C22 120.5(2) . . ?
 O3 C20 H20A 109.8 . . ?
 O3 C20 H20B 109.8 . . ?
 O3 C20 C21 109.3(2) . . ?
 H20A C20 H20B 108.3 . . ?
 C21 C20 H20A 109.8 . . ?
 C21 C20 H20B 109.8 . . ?
 C20 C21 H21A 109.5 . . ?
 C20 C21 H21B 109.5 . . ?
 C20 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C19 C22 H22 119.2 . . ?
 C23 C22 C19 121.6(2) . . ?
 C23 C22 H22 119.2 . . ?
 C22 C23 C24 117.77(19) . . ?
 C22 C23 C28 121.08(19) . . ?
 C24 C23 C28 121.15(19) . . ?
 O4 C24 C23 115.39(19) . . ?
 O4 C24 C27 124.42(19) . . ?
 C27 C24 C23 120.2(2) . . ?
 O4 C25 H25A 110.2 . . ?
 O4 C25 H25B 110.2 . . ?
 O4 C25 C26 107.7(2) . . ?
 H25A C25 H25B 108.5 . . ?
 C26 C25 H25A 110.2 . . ?
 C26 C25 H25B 110.2 . . ?
 C25 C26 H26A 109.5 . . ?
 C25 C26 H26B 109.5 . . ?
 C25 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C18 C27 C24 121.7(2) . . ?
 C18 C27 H27 119.1 . . ?
 C24 C27 H27 119.1 . . ?
 C23 C28 H28A 108.8 . . ?
 C23 C28 H28B 108.8 . . ?
 C23 C28 C29 113.67(17) . . ?
 H28A C28 H28B 107.7 . . ?
 C29 C28 H28A 108.8 . . ?
 C29 C28 H28B 108.8 . . ?
 C30 C29 C28 120.45(18) . . ?
 C38 C29 C28 121.37(19) . . ?
 C38 C29 C30 118.2(2) . . ?
 O5 C30 C29 116.06(19) . . ?
 O5 C30 C33 123.49(19) . . ?
 C33 C30 C29 120.45(19) . . ?
 O5 C31 H31A 110.3 . . ?
 O5 C31 H31B 110.3 . . ?
 O5 C31 C32 107.0(2) . . ?
 H31A C31 H31B 108.6 . . ?
 C32 C31 H31A 110.3 . . ?
 C32 C31 H31B 110.3 . . ?
 C31 C32 H32A 109.5 . . ?
 C31 C32 H32B 109.5 . . ?
 C31 C32 H32C 109.5 . . ?
 H32A C32 H32B 109.5 . . ?
 H32A C32 H32C 109.5 . . ?
 H32B C32 H32C 109.5 . . ?
 C30 C33 H33 119.2 . . ?
 C30 C33 C34 121.5(2) . . ?
 C34 C33 H33 119.2 . . ?
 C33 C34 C35 118.1(2) . . ?
 C33 C34 C39 119.9(2) . . ?
 C35 C34 C39 121.88(19) . . ?
 O6 C35 C34 115.56(19) . . ?
 O6 C35 C38 123.8(2) . . ?
 C34 C35 C38 120.62(19) . . ?
 O6 C36 H36A 110.4 . . ?
 O6 C36 H36B 110.4 . . ?
 O6 C36 C37 106.8(2) . . ?
 H36A C36 H36B 108.6 . . ?
 C37 C36 H36A 110.4 . . ?
 C37 C36 H36B 110.4 . . ?
 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 . . ?
 C29 C38 H38 119.5 . . ?
 C35 C38 C29 121.1(2) . . ?
 C35 C38 H38 119.5 . . ?
 C34 C39 H39A 109.6 . . ?
 C34 C39 H39B 109.6 . . ?
 H39A C39 H39B 108.1 . . ?
 C40 C39 C34 110.43(16) . . ?
 C40 C39 H39A 109.6 . . ?
 C40 C39 H39B 109.6 . . ?
 C41 C40 C39 121.44(19) . . ?
 C49 C40 C39 120.57(19) . . ?
 C49 C40 C41 117.91(19) . . ?
 O7 C41 C40 115.49(19) . . ?
 O7 C41 C44 124.0(2) . . ?
 C44 C41 C40 120.53(19) . . ?
 O7 C42 H42A 110.4 . . ?
 O7 C42 H42B 110.4 . . ?
 O7 C42 C43 106.8(2) . . ?
 H42A C42 H42B 108.6 . . ?
 C43 C42 H42A 110.4 . . ?
 C43 C42 H42B 110.4 . . ?
 C42 C43 H43A 109.5 . . ?
 C42 C43 H43B 109.5 . . ?
 C42 C43 H43C 109.5 . . ?
 H43A C43 H43B 109.5 . . ?
 H43A C43 H43C 109.5 . . ?
 H43B C43 H43C 109.5 . . ?
 C41 C44 H44 119.3 . . ?
 C41 C44 C45 121.4(2) . . ?
 C45 C44 H44 119.3 . . ?
 C44 C45 C46 118.30(19) . . ?
 C44 C45 C50 120.96(19) . . ?
 C46 C45 C50 120.74(18) . . ?
 O8 C46 C45 116.04(18) . . ?
 O8 C46 C49 123.74(19) . . ?
 C49 C46 C45 120.21(19) . . ?
 O8 C47 H47A 110.3 . . ?
 O8 C47 H47B 110.3 . . ?
 O8 C47 C48 107.18(18) . . ?
 H47A C47 H47B 108.5 . . ?
 C48 C47 H47A 110.3 . . ?
 C48 C47 H47B 110.3 . . ?
 C47 C48 H48A 109.5 . . ?
 C47 C48 H48B 109.5 . . ?
 C47 C48 H48C 109.5 . . ?
 H48A C48 H48B 109.5 . . ?
 H48A C48 H48C 109.5 . . ?
 H48B C48 H48C 109.5 . . ?
 C40 C49 H49 119.2 . . ?
 C46 C49 C40 121.62(19) . . ?
 C46 C49 H49 119.2 . . ?
 C45 C50 H50A 109.1 . . ?
 C45 C50 H50B 109.1 . . ?
 H50A C50 H50B 107.8 . . ?
 C51 C50 C45 112.68(17) . . ?
 C51 C50 H50A 109.1 . . ?
 C51 C50 H50B 109.1 . . ?
 C52 C51 C50 121.76(18) . . ?
 C60 C51 C50 120.56(18) . . ?
 C60 C51 C52 117.67(18) . . ?
 O9 C52 C51 115.51(19) . . ?
 O9 C52 C55 123.72(19) . . ?
 C51 C52 C55 120.76(19) . . ?
 O9 C53 H53A 110.4 . . ?
 O9 C53 H53B 110.4 . . ?
 O9 C53 C54 106.8(2) . . ?
 H53A C53 H53B 108.6 . . ?
 C54 C53 H53A 110.4 . . ?
 C54 C53 H53B 110.4 . . ?
 C53 C54 H54A 109.5 . . ?
 C53 C54 H54B 109.5 . . ?
 C53 C54 H54C 109.5 . . ?
 H54A C54 H54B 109.5 . . ?
 H54A C54 H54C 109.5 . . ?
 H54B C54 H54C 109.5 . . ?
 C52 C55 H55 119.1 . . ?
 C52 C55 C56 121.72(19) . . ?
 C56 C55 H55 119.1 . . ?
 C55 C56 C57 117.49(18) . . ?
 C55 C56 C61 120.06(18) . . ?
 C57 C56 C61 122.44(18) . . ?
 O10 C57 C56 116.66(17) . . ?
 O10 C57 C60 122.78(18) . . ?
 C60 C57 C56 120.54(18) . . ?
 O10 C58 H58A 110.0 . . ?
 O10 C58 H58B 110.0 . . ?
 O10 C58 C59 108.43(17) . . ?
 H58A C58 H58B 108.4 . . ?
 C59 C58 H58A 110.0 . . ?
 C59 C58 H58B 110.0 . . ?
 C58 C59 H59A 109.5 . . ?
 C58 C59 H59B 109.5 . . ?
 C58 C59 H59C 109.5 . . ?
 H59A C59 H59B 109.5 . . ?
 H59A C59 H59C 109.5 . . ?
 H59B C59 H59C 109.5 . . ?
 C51 C60 C57 121.80(19) . . ?
 C51 C60 H60 119.1 . . ?
 C57 C60 H60 119.1 . . ?
 C8 C61 C56 114.17(16) . . ?
 C8 C61 H61A 108.7 . . ?
 C8 C61 H61B 108.7 . . ?
 C56 C61 H61A 108.7 . . ?
 C56 C61 H61B 108.7 . . ?
 H61A C61 H61B 107.6 . . ?
 H3C N3 H3D 120.0 . . ?
 C62 N3 H3C 120.0 . . ?
 C62 N3 H3D 120.0 . . ?
 N3 C62 H62A 104.0 . . ?
 N3 C62 H62B 104.0 . . ?
 N3 C62 C63 132.8(5) . . ?
 H62A C62 H62B 105.5 . . ?
 C63 C62 H62A 104.0 . . ?
 C63 C62 H62B 104.0 . . ?
 C62 C63 H63C 103.8 . . ?
 C62 C63 H63D 103.8 . . ?
 C62 C63 H63A 104.0 . . ?
 C62 C63 H63B 104.0 . . ?
 H63C C63 H63D 105.4 . . ?
 H63A C63 H63B 105.5 . . ?
 C64 C63 C62 132.8(5) . . ?
 C64 C63 H63A 104.0 . . ?
 C64 C63 H63B 104.0 . . ?
 C64A C63 C62 133.7(5) . . ?
 C64A C63 H63C 103.8 . . ?
 C64A C63 H63D 103.8 . . ?
 C63 C64 H64 105.5 . . ?
 C63 C64 C65 116.1(6) . . ?
 C63 C64 C66 115.5(5) . . ?
 C65 C64 H64 105.5 . . ?
 C66 C64 H64 105.5 . . ?
 C66 C64 C65 107.6(5) . . ?
 C64 C65 H65A 109.5 . . ?
 C64 C65 H65B 109.5 . . ?
 C64 C65 H65C 109.5 . . ?
 H65A C65 H65B 109.5 . . ?
 H65A C65 H65C 109.5 . . ?
 H65B C65 H65C 109.5 . . ?
 H65D C65 H65E 109.5 . . ?
 H65D C65 H65F 109.5 . . ?
 H65E C65 H65F 109.5 . . ?
 C64A C65 H65D 109.5 . . ?
 C64A C65 H65E 109.5 . . ?
 C64A C65 H65F 109.5 . . ?
 C64 C66 H66A 109.5 . . ?
 C64 C66 H66B 109.5 . . ?
 C64 C66 H66C 109.5 . . ?
 H66A C66 H66B 109.5 . . ?
 H66A C66 H66C 109.5 . . ?
 H66B C66 H66C 109.5 . . ?
 H66D C66 H66E 109.5 . . ?
 H66D C66 H66F 109.5 . . ?
 H66E C66 H66F 109.5 . . ?
 C64A C66 H66D 109.5 . . ?
 C64A C66 H66E 109.5 . . ?
 C64A C66 H66F 109.5 . . ?
 C5 C6A H6AA 109.5 . . ?
 C5 C6A H6AB 109.5 . . ?
 C5 C6A H6AC 109.5 . . ?
 H6AA C6A H6AB 109.5 . . ?
 H6AA C6A H6AC 109.5 . . ?
 H6AB C6A H6AC 109.5 . . ?
 C11 C12A H12C 108.7 . . ?
 C11 C12A H12D 108.7 . . ?
 C11 C12A C13A 114.3(11) . . ?
 H12C C12A H12D 107.6 . . ?
 C13A C12A H12C 108.7 . . ?
 C13A C12A H12D 108.7 . . ?
 C12A C13A H13A 107.5 . . ?
 C15A C13A C12A 97.0(16) . . ?
 C15A C13A H13A 107.5 . . ?
 C14A C13A C12A 116.2(13) . . ?
 C14A C13A H13A 107.5 . . ?
 C14A C13A C15A 120.0(17) . . ?
 C13A C15A H15D 109.5 . . ?
 C13A C15A H15E 109.5 . . ?
 C13A C15A H15F 109.5 . . ?
 H15D C15A H15E 109.5 . . ?
 H15D C15A H15F 109.5 . . ?
 H15E C15A H15F 109.5 . . ?
 C13A C14A H14D 109.5 . . ?
 C13A C14A H14E 109.5 . . ?
 C13A C14A H14F 109.5 . . ?
 H14D C14A H14E 109.5 . . ?
 H14D C14A H14F 109.5 . . ?
 H14E C14A H14F 109.5 . . ?
 C5 C7A H7AA 109.5 . . ?
 C5 C7A H7AB 109.5 . . ?
 C5 C7A H7AC 109.5 . . ?
 H7AA C7A H7AB 109.5 . . ?
 H7AA C7A H7AC 109.5 . . ?
 H7AB C7A H7AC 109.5 . . ?
 C63 C64A C65 115.8(6) . . ?
 C63 C64A C66 117.5(6) . . ?
 C63 C64A H64A 106.2 . . ?
 C65 C64A H64A 106.2 . . ?
 C66 C64A C65 104.1(6) . . ?
 C66 C64A H64A 106.2 . . ?

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
 O1 C1 C2 N1 2.5(3) . . . . ?
 O1 C1 C2 C8 -176.9(2) . . . . ?
 O1 C1 C16 C10 -177.3(2) . . . . ?
 O1 C1 C16 C17 3.7(3) . . . . ?
 O2 C9 C10 N2 -12.0(3) . . . . ?
 O2 C9 C10 C16 168.6(2) . . . . ?
 O3 C19 C22 C23 178.9(2) . . . . ?
 O4 C24 C27 C18 177.6(2) . . . . ?
 O5 C30 C33 C34 -178.30(18) . . . . ?
 O6 C35 C38 C29 -177.74(19) . . . . ?
 O7 C41 C44 C45 -179.52(19) . . . . ?
 O8 C46 C49 C40 -177.77(18) . . . . ?
 O9 C52 C55 C56 -179.4(2) . . . . ?
 O10 C57 C60 C51 178.20(18) . . . . ?
 N1 C2 C8 C9 168.9(2) . . . . ?
 N1 C2 C8 C61 -6.8(4) . . . . ?
 N1 C3 C4 C5 174.17(19) . . . . ?
 N2 C10 C16 C1 -179.2(2) . . . . ?
 N2 C10 C16 C17 -0.3(3) . . . . ?
 N2 C11 C12 C13 -176.5(4) . . . . ?
 N2 C11 C12A C13A 165.7(9) . . . . ?
 C1 C2 C8 C9 -11.9(3) . . . . ?
 C1 C2 C8 C61 172.42(18) . . . . ?
 C1 C16 C17 C18 98.0(2) . . . . ?
 C2 N1 C3 C4 -71.5(3) . . . . ?
 C2 C1 C16 C10 4.7(3) . . . . ?
 C2 C1 C16 C17 -174.28(18) . . . . ?
 C2 C8 C9 O2 -163.0(2) . . . . ?
 C2 C8 C9 C10 17.0(3) . . . . ?
 C2 C8 C61 C56 -106.3(2) . . . . ?
 C3 N1 C2 C1 171.9(2) . . . . ?
 C3 N1 C2 C8 -8.9(4) . . . . ?
 C3 C4 C5 C6 162.7(4) . . . . ?
 C3 C4 C5 C7 -68.7(4) . . . . ?
 C3 C4 C5 C6A 53.8(4) . . . . ?
 C3 C4 C5 C7A -165.6(5) . . . . ?
 C8 C9 C10 N2 168.09(19) . . . . ?
 C8 C9 C10 C16 -11.4(3) . . . . ?
 C9 C8 C61 C56 77.9(2) . . . . ?
 C9 C10 C16 C1 0.2(3) . . . . ?
 C9 C10 C16 C17 179.15(18) . . . . ?
 C10 N2 C11 C12 178.4(3) . . . . ?
 C10 N2 C11 C12A -139.6(5) . . . . ?
 C10 C16 C17 C18 -81.0(3) . . . . ?
 C11 N2 C10 C9 -0.2(4) . . . . ?
 C11 N2 C10 C16 179.2(3) . . . . ?
 C11 C12 C13 C14 -61.3(8) . . . . ?
 C11 C12 C13 C15 174.2(5) . . . . ?
 C11 C12A C13A C15A 86.8(15) . . . . ?
 C11 C12A C13A C14A -144.7(17) . . . . ?
 C16 C1 C2 N1 -179.35(19) . . . . ?
 C16 C1 C2 C8 1.3(3) . . . . ?
 C16 C17 C18 C19 105.6(2) . . . . ?
 C16 C17 C18 C27 -74.0(3) . . . . ?
 C17 C18 C19 O3 2.2(3) . . . . ?
 C17 C18 C19 C22 -177.1(2) . . . . ?
 C17 C18 C27 C24 179.0(2) . . . . ?
 C18 C19 C22 C23 -1.8(3) . . . . ?
 C19 O3 C20 C21 -163.6(3) . . . . ?
 C19 C18 C27 C24 -0.6(3) . . . . ?
 C19 C22 C23 C24 -0.8(3) . . . . ?
 C19 C22 C23 C28 179.9(2) . . . . ?
 C20 O3 C19 C18 154.8(3) . . . . ?
 C20 O3 C19 C22 -25.9(4) . . . . ?
 C22 C23 C24 O4 -177.01(18) . . . . ?
 C22 C23 C24 C27 2.6(3) . . . . ?
 C22 C23 C28 C29 -97.7(2) . . . . ?
 C23 C24 C27 C18 -2.0(3) . . . . ?
 C23 C28 C29 C30 81.8(2) . . . . ?
 C23 C28 C29 C38 -98.4(2) . . . . ?
 C24 O4 C25 C26 -177.3(2) . . . . ?
 C24 C23 C28 C29 83.1(3) . . . . ?
 C25 O4 C24 C23 179.9(2) . . . . ?
 C25 O4 C24 C27 0.3(3) . . . . ?
 C27 C18 C19 O3 -178.20(19) . . . . ?
 C27 C18 C19 C22 2.5(3) . . . . ?
 C28 C23 C24 O4 2.3(3) . . . . ?
 C28 C23 C24 C27 -178.04(19) . . . . ?
 C28 C29 C30 O5 0.0(3) . . . . ?
 C28 C29 C30 C33 179.80(18) . . . . ?
 C28 C29 C38 C35 178.45(19) . . . . ?
 C29 C30 C33 C34 1.9(3) . . . . ?
 C30 O5 C31 C32 173.7(2) . . . . ?
 C30 C29 C38 C35 -1.7(3) . . . . ?
 C30 C33 C34 C35 -2.0(3) . . . . ?
 C30 C33 C34 C39 175.17(18) . . . . ?
 C31 O5 C30 C29 178.58(19) . . . . ?
 C31 O5 C30 C33 -1.2(3) . . . . ?
 C33 C34 C35 O6 179.64(18) . . . . ?
 C33 C34 C35 C38 0.2(3) . . . . ?
 C33 C34 C39 C40 -83.8(2) . . . . ?
 C34 C35 C38 C29 1.6(3) . . . . ?
 C34 C39 C40 C41 87.9(2) . . . . ?
 C34 C39 C40 C49 -88.9(2) . . . . ?
 C35 O6 C36 C37 170.6(2) . . . . ?
 C35 C34 C39 C40 93.2(2) . . . . ?
 C36 O6 C35 C34 -176.05(19) . . . . ?
 C36 O6 C35 C38 3.3(3) . . . . ?
 C38 C29 C30 O5 -179.84(18) . . . . ?
 C38 C29 C30 C33 -0.1(3) . . . . ?
 C39 C34 C35 O6 2.5(3) . . . . ?
 C39 C34 C35 C38 -176.88(19) . . . . ?
 C39 C40 C41 O7 3.8(3) . . . . ?
 C39 C40 C41 C44 -176.49(19) . . . . ?
 C39 C40 C49 C46 175.47(18) . . . . ?
 C40 C41 C44 C45 0.8(3) . . . . ?
 C41 O7 C42 C43 -175.3(3) . . . . ?
 C41 C40 C49 C46 -1.5(3) . . . . ?
 C41 C44 C45 C46 -1.0(3) . . . . ?
 C41 C44 C45 C50 178.63(19) . . . . ?
 C42 O7 C41 C40 178.7(2) . . . . ?
 C42 O7 C41 C44 -1.0(4) . . . . ?
 C44 C45 C46 O8 179.09(16) . . . . ?
 C44 C45 C46 C49 -0.1(3) . . . . ?
 C44 C45 C50 C51 -93.6(2) . . . . ?
 C45 C46 C49 C40 1.3(3) . . . . ?
 C45 C50 C51 C52 85.5(2) . . . . ?
 C45 C50 C51 C60 -93.5(2) . . . . ?
 C46 O8 C47 C48 -179.93(17) . . . . ?
 C46 C45 C50 C51 86.0(2) . . . . ?
 C47 O8 C46 C45 177.99(17) . . . . ?
 C47 O8 C46 C49 -2.9(3) . . . . ?
 C49 C40 C41 O7 -179.28(17) . . . . ?
 C49 C40 C41 C44 0.4(3) . . . . ?
 C50 C45 C46 O8 -0.5(3) . . . . ?
 C50 C45 C46 C49 -179.67(18) . . . . ?
 C50 C51 C52 O9 1.3(3) . . . . ?
 C50 C51 C52 C55 -179.1(2) . . . . ?
 C50 C51 C60 C57 178.54(18) . . . . ?
 C51 C52 C55 C56 1.1(3) . . . . ?
 C52 O9 C53 C54 179.1(2) . . . . ?
 C52 C51 C60 C57 -0.5(3) . . . . ?
 C52 C55 C56 C57 -1.5(3) . . . . ?
 C52 C55 C56 C61 179.5(2) . . . . ?
 C53 O9 C52 C51 -174.6(2) . . . . ?
 C53 O9 C52 C55 5.9(3) . . . . ?
 C55 C56 C57 O10 -177.31(17) . . . . ?
 C55 C56 C57 C60 0.9(3) . . . . ?
 C55 C56 C61 C8 -80.3(2) . . . . ?
 C56 C57 C60 C51 0.1(3) . . . . ?
 C57 O10 C58 C59 -170.3(2) . . . . ?
 C57 C56 C61 C8 100.8(2) . . . . ?
 C58 O10 C57 C56 -174.73(18) . . . . ?
 C58 O10 C57 C60 7.1(3) . . . . ?
 C60 C51 C52 O9 -179.62(18) . . . . ?
 C60 C51 C52 C55 -0.1(3) . . . . ?
 C61 C8 C9 O2 13.3(3) . . . . ?
 C61 C8 C9 C10 -166.76(17) . . . . ?
 C61 C56 C57 O10 1.7(3) . . . . ?
 C61 C56 C57 C60 179.88(18) . . . . ?
 N3 C62 C63 C64 -157.3(8) . . . . ?
 N3 C62 C63 C64A 156.1(10) . . . . ?
 C62 C63 C64 C65 -42.5(12) . . . . ?
 C62 C63 C64 C66 -169.9(6) . . . . ?
 C62 C63 C64A C65 43.7(14) . . . . ?
 C62 C63 C64A C66 167.6(6) . . . . ?

_shelx_SHELXL_version_number      '2014/7'
_olex2_submission_special_instructions 'No special instructions were received'
