# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_cu_5412f
_database_code_depnum_ccdc_archive 'CCDC 2109937'
loop_
_audit_author_name
_audit_author_address
'Gregor Schnakenburg'
;University of Bonn
Germany
;
_audit_update_record             
;
2021-09-15 deposited with the CCDC.	2021-10-28 downloaded from the CCDC.
;
_audit_creation_date             2017-10-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        SB-SA14
_chemical_formula_moiety         'C78 H70'
_chemical_formula_sum            'C78 H70'
_chemical_formula_weight         1007.34
_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'

_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.3737(2)
_cell_length_b                   34.5568(9)
_cell_length_c                   21.4958(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.3862(13)
_cell_angle_gamma                90
_cell_volume                     6801.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9485
_cell_measurement_temperature    100
_cell_measurement_theta_max      72.14
_cell_measurement_theta_min      2.56
_shelx_estimated_absorpt_T_max   0.980
_shelx_estimated_absorpt_T_min   0.886
_exptl_absorpt_coefficient_mu    0.415
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.3930
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1675 before and 0.0954 after correction. The Ratio of minimum to maximum transmission is 0.5215. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    0.984
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             2152
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1096
_diffrn_reflns_av_unetI/netI     0.0522
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            115058
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         67.748
_diffrn_reflns_theta_min         4.211
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker Photon100 detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Venture'
_diffrn_measurement_method       'fine slicing ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9261
_reflns_number_total             12307
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.039
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     836
_refine_ls_number_reflns         12307
_refine_ls_number_restraints     145
_refine_ls_R_factor_all          0.1246
_refine_ls_R_factor_gt           0.1011
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1222P)²+15.5350P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2625
_refine_ls_wR_factor_ref         0.2817
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C10S-C7
 1.5 with sigma of 0.001
 C73S-C74S
 2.2 with sigma of 0.01
 C10S-C8S
 2.2 with sigma of 0.001
 C74S-C71 = C73S-C71
 1.5 with sigma of 0.001
 C76S-C75
 1.5 with sigma of 0.001
 C8-C7 = C7-C10 = C9S-C7 = C77-C75 = C78S-C75 = C72-C71 = C72S-C71
 1.5 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C8 \\sim C9 \\sim C10 \\sim C8S \\sim C9S \\sim C10S: within 2A with sigma of
0.002 and sigma for terminal atoms of 0.004
C71 \\sim C72S \\sim C74 \\sim C74S \\sim C72 \\sim C73S \\sim C73: within 2A
with sigma of 0.002 and sigma for terminal atoms of 0.004
Uanis(C8S) \\sim Ueq, Uanis(C9S) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C8)
\\sim Ueq, Uanis(C10S) \\sim Ueq: with sigma of 0.002 and sigma for terminal
atoms of 0.004
Uanis(C73) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Others
 Sof(C76S)=Sof(H76D)=Sof(H76E)=Sof(H76F)=Sof(C77S)=Sof(H77D)=Sof(H77E)=
 Sof(H77F)=Sof(C78S)=Sof(H78D)=Sof(H78E)=Sof(H78F)=1-FVAR(1)
 Sof(C76)=Sof(H76A)=Sof(H76B)=Sof(H76C)=Sof(C77)=Sof(H77A)=Sof(H77B)=Sof(H77C)=
 Sof(C78)=Sof(H78A)=Sof(H78B)=Sof(H78C)=FVAR(1)
 Sof(C72S)=Sof(H72D)=Sof(H72E)=Sof(H72F)=Sof(C73S)=Sof(H73D)=Sof(H73E)=
 Sof(H73F)=Sof(C74S)=Sof(H74D)=Sof(H74E)=Sof(H74F)=1-FVAR(2)
 Sof(C72)=Sof(H72A)=Sof(H72B)=Sof(H72C)=Sof(C73)=Sof(H73A)=Sof(H73B)=Sof(H73C)=
 Sof(C74)=Sof(H74A)=Sof(H74B)=Sof(H74C)=FVAR(2)
 Sof(C8S)=Sof(H8SA)=Sof(H8SB)=Sof(H8SC)=Sof(C9S)=Sof(H9SA)=Sof(H9SB)=Sof(H9SC)=
 Sof(C10S)=Sof(H10D)=Sof(H10E)=Sof(H10F)=1-FVAR(3)
 Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(H8C)=Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=
 Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=FVAR(3)
 Sof(C54S)=Sof(H54S)=Sof(C55S)=Sof(H55S)=Sof(C56S)=Sof(H56S)=1-FVAR(4)
 Sof(C54)=Sof(H54)=Sof(C55)=Sof(H55)=Sof(C56)=Sof(H56)=FVAR(4)
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C6(H6), C16(H16), C20(H20), C22(H22), C23(H23), C24(H24),
 C26(H26), C28(H28), C29(H29), C30(H30), C32(H32), C36(H36), C38(H38), C45(H45),
  C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51), C52(H52),
 C54(H54), C55(H55), C56(H56), C54S(H54S), C55S(H55S), C56S(H56S), C58(H58),
 C60(H60), C61(H61), C62(H62), C64(H64), C66(H66), C68(H68), C70(H70)
5.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C8S(H8SA,H8SB,H8SC),
 C9S(H9SA,H9SB,H9SC), C10S(H10D,H10E,H10F), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C14(H14A,H14B,H14C), C72(H72A,H72B,H72C), C73(H73A,H73B,H73C), C74(H74A,
 H74B,H74C), C72S(H72D,H72E,H72F), C73S(H73D,H73E,H73F), C74S(H74D,H74E,H74F),
 C76(H76A,H76B,H76C), C77(H77A,H77B,H77C), C78(H78A,H78B,H78C), C76S(H76D,H76E,
 H76F), C77S(H77D,H77E,H77F), C78S(H78D,H78E,H78F)
;
_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
C1 C -0.1775(4) 0.68360(11) 0.64072(17) 0.0348(8) Uani 1 1 d . . . . .
C2 C -0.1110(4) 0.65911(11) 0.68993(17) 0.0331(8) Uani 1 1 d . . . . .
H2 H -0.1398 0.6609 0.7296 0.040 Uiso 1 1 calc R . . . .
C3 C -0.0044(4) 0.63218(11) 0.68363(16) 0.0312(8) Uani 1 1 d . . . . .
C4 C 0.0365(4) 0.62984(11) 0.62517(16) 0.0307(7) Uani 1 1 d . . . . .
H4 H 0.1071 0.6113 0.6193 0.037 Uiso 1 1 calc R . . . .
C5 C -0.0258(3) 0.65470(10) 0.57465(15) 0.0283(7) Uani 1 1 d . . . . .
C6 C -0.1310(4) 0.68128(11) 0.58346(16) 0.0314(8) Uani 1 1 d . . . . .
H6 H -0.1722 0.6983 0.5496 0.038 Uiso 1 1 calc R . . . .
C7 C -0.2936(4) 0.71281(14) 0.65098(17) 0.0487(11) Uani 1 1 d D . . . .
C8 C -0.4026(10) 0.6913(3) 0.6868(5) 0.064(2) Uani 0.595(9) 1 d D U P A 1
H8A H -0.4351 0.6670 0.6648 0.097 Uiso 0.595(9) 1 calc GR . P A 1
H8B H -0.4874 0.7079 0.6868 0.097 Uiso 0.595(9) 1 calc GR . P A 1
H8C H -0.3525 0.6858 0.7308 0.097 Uiso 0.595(9) 1 calc GR . P A 1
C9 C -0.2321(11) 0.7445(3) 0.6898(5) 0.0663(18) Uani 0.595(9) 1 d . U P A 1
H9A H -0.1701 0.7347 0.7293 0.099 Uiso 0.595(9) 1 calc GR . P A 1
H9B H -0.3107 0.7603 0.7001 0.099 Uiso 0.595(9) 1 calc GR . P A 1
H9C H -0.1733 0.7602 0.6669 0.099 Uiso 0.595(9) 1 calc GR . P A 1
C10 C -0.3903(8) 0.7242(3) 0.5877(3) 0.046(2) Uani 0.595(9) 1 d D U P A 1
H10A H -0.3331 0.7390 0.5628 0.069 Uiso 0.595(9) 1 calc GR . P A 1
H10B H -0.4716 0.7401 0.5953 0.069 Uiso 0.595(9) 1 calc GR . P A 1
H10C H -0.4289 0.7008 0.5641 0.069 Uiso 0.595(9) 1 calc GR . P A 1
C8S C -0.3518(16) 0.7103(5) 0.7018(4) 0.067(2) Uani 0.405(9) 1 d D U P A 2
H8SA H -0.3892 0.6841 0.7049 0.101 Uiso 0.405(9) 1 calc GR . P A 2
H8SB H -0.4321 0.7289 0.6980 0.101 Uiso 0.405(9) 1 calc GR . P A 2
H8SC H -0.2771 0.7161 0.7401 0.101 Uiso 0.405(9) 1 calc GR . P A 2
C9S C -0.2185(14) 0.7534(3) 0.6541(7) 0.062(2) Uani 0.405(9) 1 d D U P A 2
H9SA H -0.1318 0.7536 0.6889 0.093 Uiso 0.405(9) 1 calc GR . P A 2
H9SB H -0.2871 0.7734 0.6616 0.093 Uiso 0.405(9) 1 calc GR . P A 2
H9SC H -0.1896 0.7586 0.6137 0.093 Uiso 0.405(9) 1 calc GR . P A 2
C10S C -0.4259(9) 0.7130(5) 0.5976(4) 0.051(3) Uani 0.405(9) 1 d D U P A 2
H10D H -0.3972 0.7198 0.5577 0.076 Uiso 0.405(9) 1 calc GR . P A 2
H10E H -0.4963 0.7320 0.6065 0.076 Uiso 0.405(9) 1 calc GR . P A 2
H10F H -0.4708 0.6872 0.5935 0.076 Uiso 0.405(9) 1 calc GR . P A 2
C11 C 0.0691(5) 0.60765(11) 0.74082(17) 0.0376(9) Uani 1 1 d . . . . .
C12 C 0.1680(6) 0.63428(13) 0.78893(19) 0.0547(12) Uani 1 1 d . . . . .
H12A H 0.2424 0.6459 0.7689 0.082 Uiso 1 1 calc GR . . . .
H12B H 0.2158 0.6191 0.8261 0.082 Uiso 1 1 calc GR . . . .
H12C H 0.1090 0.6548 0.8024 0.082 Uiso 1 1 calc GR . . . .
C13 C -0.0478(6) 0.58916(14) 0.7719(2) 0.0617(14) Uani 1 1 d . . . . .
H13A H -0.1061 0.6096 0.7861 0.093 Uiso 1 1 calc GR . . . .
H13B H 0.0000 0.5736 0.8086 0.093 Uiso 1 1 calc GR . . . .
H13C H -0.1115 0.5726 0.7409 0.093 Uiso 1 1 calc GR . . . .
C14 C 0.1600(5) 0.57500(11) 0.72139(18) 0.0404(9) Uani 1 1 d . . . . .
H14A H 0.0981 0.5590 0.6887 0.061 Uiso 1 1 calc GR . . . .
H14B H 0.2003 0.5590 0.7587 0.061 Uiso 1 1 calc GR . . . .
H14C H 0.2401 0.5860 0.7043 0.061 Uiso 1 1 calc GR . . . .
C15 C 0.0261(3) 0.65272(10) 0.51412(15) 0.0280(7) Uani 1 1 d . . . . .
C16 C 0.0686(3) 0.68631(10) 0.48698(14) 0.0261(7) Uani 1 1 d . . . . .
H16 H 0.0557 0.7106 0.5056 0.031 Uiso 1 1 calc R . . . .
C17 C 0.1298(3) 0.68512(10) 0.43306(15) 0.0259(7) Uani 1 1 d . . . . .
C18 C 0.1435(3) 0.64860(10) 0.40545(15) 0.0261(7) Uani 1 1 d . . . . .
C19 C 0.0966(3) 0.61440(10) 0.43077(15) 0.0285(7) Uani 1 1 d . . . . .
C20 C 0.0397(4) 0.61703(11) 0.48526(16) 0.0308(8) Uani 1 1 d . . . . .
H20 H 0.0094 0.5941 0.5032 0.037 Uiso 1 1 calc R . . . .
C21 C 0.1962(3) 0.71997(10) 0.40924(15) 0.0260(7) Uani 1 1 d . . . . .
C22 C 0.2920(4) 0.74356(11) 0.45173(16) 0.0320(8) Uani 1 1 d . . . . .
H22 H 0.3000 0.7405 0.4963 0.038 Uiso 1 1 calc R . . . .
C23 C 0.3757(4) 0.77148(11) 0.42962(17) 0.0373(9) Uani 1 1 d . . . . .
H23 H 0.4349 0.7886 0.4589 0.045 Uiso 1 1 calc R . . . .
C24 C 0.3735(4) 0.77461(11) 0.36452(17) 0.0345(8) Uani 1 1 d . . . . .
H24 H 0.4362 0.7925 0.3501 0.041 Uiso 1 1 calc R . . . .
C25 C 0.2801(3) 0.75172(10) 0.32132(15) 0.0269(7) Uani 1 1 d . . . . .
C26 C 0.1862(3) 0.72663(10) 0.34399(15) 0.0266(7) Uani 1 1 d . . . . .
H26 H 0.1125 0.7136 0.3141 0.032 Uiso 1 1 calc R . . . .
C27 C 0.2859(4) 0.74771(10) 0.25185(16) 0.0288(7) Uani 1 1 d . . . . .
C28 C 0.1877(4) 0.76572(11) 0.20347(17) 0.0385(9) Uani 1 1 d . . . . .
H28 H 0.1239 0.7851 0.2131 0.046 Uiso 1 1 calc R . . . .
C29 C 0.1826(5) 0.75537(12) 0.14033(17) 0.0451(10) Uani 1 1 d . . . . .
H29 H 0.1201 0.7691 0.1070 0.054 Uiso 1 1 calc R . . . .
C30 C 0.2674(4) 0.72534(11) 0.12546(17) 0.0359(8) Uani 1 1 d . . . . .
H30 H 0.2579 0.7177 0.0823 0.043 Uiso 1 1 calc R . . . .
C31 C 0.3657(4) 0.70627(11) 0.17285(15) 0.0288(7) Uani 1 1 d . . . . .
C32 C 0.3792(4) 0.71983(11) 0.23557(16) 0.0295(7) Uani 1 1 d . . . . .
H32 H 0.4548 0.7096 0.2681 0.035 Uiso 1 1 calc R . . . .
C33 C 0.4353(3) 0.66934(11) 0.15718(15) 0.0302(8) Uani 1 1 d . . . . .
C34 C 0.4247(3) 0.63597(11) 0.19340(15) 0.0303(8) Uani 1 1 d . . . . .
C35 C 0.4737(4) 0.59954(12) 0.17642(16) 0.0359(9) Uani 1 1 d . . . . .
C36 C 0.5340(4) 0.59755(13) 0.12259(17) 0.0413(10) Uani 1 1 d . . . . .
H36 H 0.5683 0.5734 0.1107 0.050 Uiso 1 1 calc R . . . .
C37 C 0.5452(4) 0.63017(13) 0.08584(16) 0.0373(9) Uani 1 1 d . . . . .
C38 C 0.4956(4) 0.66577(12) 0.10340(16) 0.0340(8) Uani 1 1 d . . . . .
H38 H 0.5030 0.6880 0.0783 0.041 Uiso 1 1 calc R . . . .
C39 C 0.2148(4) 0.64585(10) 0.35075(15) 0.0274(7) Uani 1 1 d . . . . .
C40 C 0.1288(3) 0.64265(10) 0.28852(15) 0.0254(7) Uani 1 1 d . . . . .
C41 C 0.2004(3) 0.64074(10) 0.23646(15) 0.0263(7) Uani 1 1 d . . . . .
C42 C 0.3536(3) 0.63911(10) 0.24819(15) 0.0274(7) Uani 1 1 d . . . . .
C43 C 0.4386(3) 0.64111(10) 0.31048(15) 0.0278(7) Uani 1 1 d . . . . .
C44 C 0.3676(3) 0.64610(10) 0.36214(15) 0.0264(7) Uani 1 1 d . . . . .
C45 C -0.0264(4) 0.64275(11) 0.27579(16) 0.0305(8) Uani 1 1 d . . . . .
H45 H -0.0746 0.6440 0.3104 0.037 Uiso 1 1 calc R . . . .
C46 C -0.1071(4) 0.64119(12) 0.21552(16) 0.0351(8) Uani 1 1 d . . . . .
H46 H -0.2107 0.6415 0.2080 0.042 Uiso 1 1 calc R . . . .
C47 C -0.0358(4) 0.63911(11) 0.16339(16) 0.0341(8) Uani 1 1 d . . . . .
H47 H -0.0926 0.6379 0.1211 0.041 Uiso 1 1 calc R . . . .
C48 C 0.1111(4) 0.63884(11) 0.17309(15) 0.0300(8) Uani 1 1 d . . . . .
H48 H 0.1563 0.6374 0.1376 0.036 Uiso 1 1 calc R . . . .
C49 C 0.5939(4) 0.63945(11) 0.32330(16) 0.0338(8) Uani 1 1 d . . . . .
H49 H 0.6423 0.6360 0.2891 0.041 Uiso 1 1 calc R . . . .
C50 C 0.6743(4) 0.64281(13) 0.38410(18) 0.0409(9) Uani 1 1 d . . . . .
H50 H 0.7779 0.6418 0.3918 0.049 Uiso 1 1 calc R . . . .
C51 C 0.6040(4) 0.64780(13) 0.43552(18) 0.0415(9) Uani 1 1 d . . . . .
H51 H 0.6607 0.6500 0.4777 0.050 Uiso 1 1 calc R . . . .
C52 C 0.4562(4) 0.64952(11) 0.42509(15) 0.0322(8) Uani 1 1 d . . . . .
H52 H 0.4106 0.6530 0.4601 0.039 Uiso 1 1 calc R . . . .
C53 C 0.1025(4) 0.57657(11) 0.39644(17) 0.0351(8) Uani 1 1 d . . . . .
C54 C -0.0285(11) 0.5563(3) 0.3711(6) 0.052(2) Uani 0.697(19) 1 d . . P B 1
H54 H -0.1150 0.5627 0.3851 0.063 Uiso 0.697(19) 1 calc R . P B 1
C55 C -0.0326(10) 0.5273(2) 0.3259(7) 0.074(4) Uani 0.697(19) 1 d . . P B 1
H55 H -0.1207 0.5132 0.3116 0.089 Uiso 0.697(19) 1 calc R . P B 1
C56 C 0.0860(10) 0.5184(2) 0.3014(6) 0.062(3) Uani 0.697(19) 1 d . . P B 1
H56 H 0.0782 0.5005 0.2673 0.075 Uiso 0.697(19) 1 calc R . P B 1
C54S C 0.001(3) 0.5482(8) 0.4033(13) 0.057(7) Uani 0.303(19) 1 d . . P B 2
H54S H -0.0723 0.5533 0.4267 0.068 Uiso 0.303(19) 1 calc R . P B 2
C55S C 0.009(2) 0.5118(7) 0.3748(13) 0.072(9) Uani 0.303(19) 1 d . . P B 2
H55S H -0.0569 0.4918 0.3799 0.086 Uiso 0.303(19) 1 calc R . P B 2
C56S C 0.112(3) 0.5052(8) 0.3402(15) 0.069(8) Uani 0.303(19) 1 d . . P B 2
H56S H 0.1169 0.4802 0.3227 0.082 Uiso 0.303(19) 1 calc R . P B 2
C57 C 0.2193(5) 0.53601(12) 0.3277(2) 0.0461(10) Uani 1 1 d . . . . .
C58 C 0.2225(4) 0.56539(11) 0.37231(16) 0.0341(8) Uani 1 1 d . . . . .
H58 H 0.3123 0.5786 0.3872 0.041 Uiso 1 1 calc R . . . .
C59 C 0.3415(5) 0.53298(12) 0.29453(18) 0.0444(10) Uani 1 1 d . . . . .
C60 C 0.4644(7) 0.51104(18) 0.3156(2) 0.0772(18) Uani 1 1 d . . . . .
H60 H 0.4677 0.4933 0.3497 0.093 Uiso 1 1 calc R . . . .
C61 C 0.5835(7) 0.5145(2) 0.2877(3) 0.091(2) Uani 1 1 d . . . . .
H61 H 0.6649 0.4978 0.3005 0.109 Uiso 1 1 calc R . . . .
C62 C 0.5856(6) 0.54212(16) 0.2411(2) 0.0625(14) Uani 1 1 d . . . . .
H62 H 0.6708 0.5452 0.2244 0.075 Uiso 1 1 calc R . . . .
C63 C 0.4650(5) 0.56511(12) 0.21890(17) 0.0424(10) Uani 1 1 d . . . . .
C64 C 0.3422(5) 0.55802(12) 0.24348(19) 0.0441(10) Uani 1 1 d . . . . .
H64 H 0.2539 0.5709 0.2246 0.053 Uiso 1 1 calc R . . . .
C65 C 0.6077(4) 0.62713(15) 0.02770(17) 0.0461(11) Uani 1 1 d . . . . .
C66 C 0.5759(5) 0.59480(18) -0.0121(2) 0.0623(15) Uani 1 1 d . . . . .
H66 H 0.5128 0.5753 -0.0023 0.075 Uiso 1 1 calc R . . . .
C67 C 0.6354(5) 0.5909(2) -0.0658(2) 0.079(2) Uani 1 1 d . . . . .
C68 C 0.7286(5) 0.6200(2) -0.0781(2) 0.080(2) Uani 1 1 d . . . . .
H68 H 0.7713 0.6172 -0.1142 0.096 Uiso 1 1 calc R . . . .
C69 C 0.7621(4) 0.65264(19) -0.0404(2) 0.0623(15) Uani 1 1 d . . . . .
C70 C 0.6972(4) 0.65593(15) 0.01229(17) 0.0461(11) Uani 1 1 d . . . . .
H70 H 0.7150 0.6784 0.0381 0.055 Uiso 1 1 calc R . . . .
C71 C 0.5995(7) 0.5579(2) -0.1122(3) 0.0842(13) Uani 1 1 d D U . . .
C72 C 0.5529(9) 0.5756(3) -0.1827(3) 0.0862(16) Uani 0.743(6) 1 d D U P C 1
H72A H 0.4764 0.5951 -0.1838 0.129 Uiso 0.743(6) 1 calc GR . P C 1
H72B H 0.5159 0.5549 -0.2130 0.129 Uiso 0.743(6) 1 calc GR . P C 1
H72C H 0.6380 0.5877 -0.1944 0.129 Uiso 0.743(6) 1 calc GR . P C 1
C73 C 0.4623(9) 0.5378(3) -0.1061(4) 0.0800(16) Uani 0.743(6) 1 d . U P C 1
H73A H 0.4800 0.5229 -0.0664 0.120 Uiso 0.743(6) 1 calc GR . P C 1
H73B H 0.4312 0.5203 -0.1424 0.120 Uiso 0.743(6) 1 calc GR . P C 1
H73C H 0.3857 0.5570 -0.1056 0.120 Uiso 0.743(6) 1 calc GR . P C 1
C74 C 0.7343(9) 0.5380(3) -0.1149(4) 0.0856(16) Uani 0.743(6) 1 d . U P C 1
H74A H 0.8142 0.5568 -0.1101 0.128 Uiso 0.743(6) 1 calc GR . P C 1
H74B H 0.7234 0.5248 -0.1560 0.128 Uiso 0.743(6) 1 calc GR . P C 1
H74C H 0.7564 0.5189 -0.0805 0.128 Uiso 0.743(6) 1 calc GR . P C 1
C72S C 0.630(3) 0.5211(5) -0.0713(9) 0.0848(18) Uani 0.257(6) 1 d D U P C 2
H72D H 0.7289 0.5221 -0.0451 0.127 Uiso 0.257(6) 1 calc GR . P C 2
H72E H 0.6199 0.4983 -0.0992 0.127 Uiso 0.257(6) 1 calc GR . P C 2
H72F H 0.5593 0.5193 -0.0437 0.127 Uiso 0.257(6) 1 calc GR . P C 2
C73S C 0.4425(8) 0.5519(9) -0.1442(10) 0.0849(18) Uani 0.257(6) 1 d D U P C 2
H73D H 0.3885 0.5422 -0.1131 0.127 Uiso 0.257(6) 1 calc GR . P C 2
H73E H 0.4363 0.5330 -0.1788 0.127 Uiso 0.257(6) 1 calc GR . P C 2
H73F H 0.4000 0.5765 -0.1617 0.127 Uiso 0.257(6) 1 calc GR . P C 2
C74S C 0.6637(18) 0.5418(8) -0.1649(8) 0.0861(18) Uani 0.257(6) 1 d D U P C 2
H74D H 0.7277 0.5612 -0.1780 0.129 Uiso 0.257(6) 1 calc GR . P C 2
H74E H 0.5850 0.5351 -0.2012 0.129 Uiso 0.257(6) 1 calc GR . P C 2
H74F H 0.7206 0.5185 -0.1498 0.129 Uiso 0.257(6) 1 calc GR . P C 2
C75 C 0.8706(5) 0.6810(2) -0.0547(2) 0.079(2) Uani 1 1 d D . . . .
C76 C 0.9868(11) 0.6956(3) 0.0023(4) 0.050(3) Uani 0.506(9) 1 d . . P D 1
H76A H 1.0571 0.6749 0.0173 0.075 Uiso 0.506(9) 1 calc GR . P D 1
H76B H 0.9393 0.7033 0.0368 0.075 Uiso 0.506(9) 1 calc GR . P D 1
H76C H 1.0379 0.7179 -0.0109 0.075 Uiso 0.506(9) 1 calc GR . P D 1
C77 C 0.7941(13) 0.7210(3) -0.0645(5) 0.151(11) Uani 0.506(9) 1 d D . P D 1
H77A H 0.7144 0.7201 -0.1024 0.227 Uiso 0.506(9) 1 calc GR . P D 1
H77B H 0.8650 0.7408 -0.0703 0.227 Uiso 0.506(9) 1 calc GR . P D 1
H77C H 0.7546 0.7273 -0.0271 0.227 Uiso 0.506(9) 1 calc GR . P D 1
C78 C 0.9280(15) 0.6829(4) -0.1123(4) 0.067(3) Uani 0.506(9) 1 d . . P D 1
H78A H 1.0079 0.6642 -0.1094 0.100 Uiso 0.506(9) 1 calc GR . P D 1
H78B H 0.9646 0.7090 -0.1171 0.100 Uiso 0.506(9) 1 calc GR . P D 1
H78C H 0.8502 0.6767 -0.1493 0.100 Uiso 0.506(9) 1 calc GR . P D 1
C76S C 0.8885(15) 0.7143(3) -0.0091(5) 0.069(4) Uani 0.494(9) 1 d D . P D 2
H76D H 0.7957 0.7282 -0.0142 0.104 Uiso 0.494(9) 1 calc GR . P D 2
H76E H 0.9638 0.7319 -0.0180 0.104 Uiso 0.494(9) 1 calc GR . P D 2
H76F H 0.9178 0.7046 0.0346 0.104 Uiso 0.494(9) 1 calc GR . P D 2
C77S C 0.8232(13) 0.6880(3) -0.1247(4) 0.053(3) Uani 0.494(9) 1 d . . P D 2
H77D H 0.8077 0.6632 -0.1472 0.080 Uiso 0.494(9) 1 calc GR . P D 2
H77E H 0.8989 0.7027 -0.1396 0.080 Uiso 0.494(9) 1 calc GR . P D 2
H77F H 0.7319 0.7028 -0.1332 0.080 Uiso 0.494(9) 1 calc GR . P D 2
C78S C 1.0198(8) 0.6576(3) -0.0440(4) 0.057(3) Uani 0.494(9) 1 d D . P D 2
H78D H 1.0117 0.6370 -0.0758 0.086 Uiso 0.494(9) 1 calc GR . P D 2
H78E H 1.0406 0.6462 -0.0012 0.086 Uiso 0.494(9) 1 calc GR . P D 2
H78F H 1.0991 0.6752 -0.0481 0.086 Uiso 0.494(9) 1 calc GR . P D 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
C1 C2 1.393(5) . ?
C1 C6 1.393(5) . ?
C1 C7 1.535(5) . ?
C2 C3 1.393(5) . ?
C3 C4 1.393(5) . ?
C3 C11 1.530(5) . ?
C4 C5 1.409(5) . ?
C5 C6 1.390(5) . ?
C5 C15 1.485(4) . ?
C7 C8 1.589(7) . ?
C7 C9 1.422(10) . ?
C7 C10 1.516(7) . ?
C7 C8S 1.324(12) . ?
C7 C9S 1.564(9) . ?
C7 C10S 1.4989(10) . ?
C11 C12 1.538(6) . ?
C11 C13 1.539(6) . ?
C11 C14 1.525(5) . ?
C15 C16 1.395(5) . ?
C15 C20 1.399(5) . ?
C16 C17 1.399(4) . ?
C17 C18 1.412(5) . ?
C17 C21 1.496(5) . ?
C18 C19 1.411(5) . ?
C18 C39 1.475(4) . ?
C19 C20 1.390(5) . ?
C19 C53 1.508(5) . ?
C21 C22 1.398(5) . ?
C21 C26 1.404(5) . ?
C22 C23 1.390(5) . ?
C23 C24 1.399(5) . ?
C24 C25 1.380(5) . ?
C25 C26 1.396(5) . ?
C25 C27 1.512(5) . ?
C27 C28 1.380(5) . ?
C27 C32 1.396(5) . ?
C28 C29 1.394(5) . ?
C29 C30 1.385(6) . ?
C30 C31 1.385(5) . ?
C31 C32 1.407(5) . ?
C31 C33 1.504(5) . ?
C33 C34 1.407(5) . ?
C33 C38 1.397(5) . ?
C34 C35 1.415(5) . ?
C34 C42 1.476(5) . ?
C35 C36 1.394(5) . ?
C35 C63 1.512(6) . ?
C36 C37 1.393(6) . ?
C37 C38 1.396(6) . ?
C37 C65 1.494(5) . ?
C39 C40 1.410(4) . ?
C39 C44 1.401(4) . ?
C40 C41 1.424(5) . ?
C40 C45 1.422(4) . ?
C41 C42 1.405(4) . ?
C41 C48 1.440(4) . ?
C42 C43 1.405(4) . ?
C43 C44 1.422(5) . ?
C43 C49 1.423(5) . ?
C44 C52 1.433(4) . ?
C45 C46 1.354(5) . ?
C46 C47 1.425(5) . ?
C47 C48 1.347(5) . ?
C49 C50 1.367(5) . ?
C50 C51 1.414(5) . ?
C51 C52 1.357(5) . ?
C53 C54 1.417(10) . ?
C53 C54S 1.40(2) . ?
C53 C58 1.391(5) . ?
C54 C55 1.392(13) . ?
C55 C56 1.363(13) . ?
C56 C57 1.396(9) . ?
C54S C55S 1.41(3) . ?
C55S C56S 1.35(2) . ?
C56S C57 1.53(2) . ?
C57 C58 1.392(5) . ?
C57 C59 1.478(6) . ?
C59 C60 1.373(7) . ?
C59 C64 1.399(6) . ?
C60 C61 1.381(8) . ?
C61 C62 1.385(8) . ?
C62 C63 1.380(6) . ?
C63 C64 1.388(6) . ?
C65 C66 1.400(6) . ?
C65 C70 1.387(6) . ?
C66 C67 1.392(6) . ?
C67 C68 1.393(9) . ?
C67 C71 1.505(7) . ?
C68 C69 1.386(8) . ?
C69 C70 1.401(5) . ?
C69 C75 1.490(8) . ?
C71 C72 1.606(8) . ?
C71 C73 1.491(10) . ?
C71 C74 1.452(10) . ?
C71 C72S 1.538(10) . ?
C71 C73S 1.4995(10) . ?
C71 C74S 1.4994(10) . ?
C75 C76 1.540(10) . ?
C75 C77 1.551(10) . ?
C75 C78 1.453(10) . ?
C75 C76S 1.4991(10) . ?
C75 C77S 1.494(10) . ?
C75 C78S 1.587(8) . ?

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
C2 C1 C6 117.5(3) . . ?
C2 C1 C7 120.4(3) . . ?
C6 C1 C7 122.0(3) . . ?
C1 C2 C3 123.0(3) . . ?
C2 C3 C11 120.0(3) . . ?
C4 C3 C2 117.9(3) . . ?
C4 C3 C11 122.0(3) . . ?
C3 C4 C5 120.8(3) . . ?
C4 C5 C15 119.2(3) . . ?
C6 C5 C4 119.1(3) . . ?
C6 C5 C15 121.7(3) . . ?
C5 C6 C1 121.6(3) . . ?
C1 C7 C8 108.1(5) . . ?
C1 C7 C9S 105.6(6) . . ?
C9 C7 C1 112.4(5) . . ?
C9 C7 C8 107.3(6) . . ?
C9 C7 C10 114.6(6) . . ?
C10 C7 C1 110.4(4) . . ?
C10 C7 C8 103.5(6) . . ?
C8S C7 C1 120.4(7) . . ?
C8S C7 C9S 106.5(9) . . ?
C8S C7 C10S 102.3(6) . . ?
C10S C7 C1 112.8(7) . . ?
C10S C7 C9S 108.7(8) . . ?
C3 C11 C12 108.2(3) . . ?
C3 C11 C13 109.9(3) . . ?
C12 C11 C13 109.8(4) . . ?
C14 C11 C3 111.8(3) . . ?
C14 C11 C12 109.6(4) . . ?
C14 C11 C13 107.7(3) . . ?
C16 C15 C5 120.3(3) . . ?
C16 C15 C20 119.1(3) . . ?
C20 C15 C5 120.5(3) . . ?
C15 C16 C17 121.8(3) . . ?
C16 C17 C18 117.7(3) . . ?
C16 C17 C21 122.3(3) . . ?
C18 C17 C21 119.6(3) . . ?
C17 C18 C39 119.4(3) . . ?
C19 C18 C17 121.5(3) . . ?
C19 C18 C39 119.1(3) . . ?
C18 C19 C53 119.3(3) . . ?
C20 C19 C18 118.6(3) . . ?
C20 C19 C53 122.0(3) . . ?
C19 C20 C15 121.3(3) . . ?
C22 C21 C17 120.2(3) . . ?
C22 C21 C26 116.9(3) . . ?
C26 C21 C17 122.0(3) . . ?
C23 C22 C21 120.8(3) . . ?
C22 C23 C24 120.5(3) . . ?
C25 C24 C23 120.0(3) . . ?
C24 C25 C26 118.5(3) . . ?
C24 C25 C27 124.4(3) . . ?
C26 C25 C27 116.5(3) . . ?
C25 C26 C21 122.6(3) . . ?
C28 C27 C25 122.9(3) . . ?
C28 C27 C32 118.4(3) . . ?
C32 C27 C25 117.9(3) . . ?
C27 C28 C29 119.7(4) . . ?
C30 C29 C28 121.0(4) . . ?
C29 C30 C31 120.7(3) . . ?
C30 C31 C32 117.1(3) . . ?
C30 C31 C33 119.4(3) . . ?
C32 C31 C33 122.9(3) . . ?
C27 C32 C31 122.5(3) . . ?
C34 C33 C31 119.1(3) . . ?
C38 C33 C31 122.2(3) . . ?
C38 C33 C34 118.3(3) . . ?
C33 C34 C35 121.4(3) . . ?
C33 C34 C42 118.6(3) . . ?
C35 C34 C42 119.9(3) . . ?
C34 C35 C63 118.8(3) . . ?
C36 C35 C34 118.0(4) . . ?
C36 C35 C63 123.1(4) . . ?
C37 C36 C35 121.6(4) . . ?
C36 C37 C38 119.3(3) . . ?
C36 C37 C65 120.5(4) . . ?
C38 C37 C65 120.1(4) . . ?
C37 C38 C33 121.3(4) . . ?
C40 C39 C18 119.8(3) . . ?
C44 C39 C18 118.8(3) . . ?
C44 C39 C40 121.4(3) . . ?
C39 C40 C41 118.7(3) . . ?
C39 C40 C45 122.4(3) . . ?
C45 C40 C41 118.9(3) . . ?
C40 C41 C48 118.0(3) . . ?
C42 C41 C40 119.8(3) . . ?
C42 C41 C48 122.2(3) . . ?
C41 C42 C34 118.6(3) . . ?
C43 C42 C34 120.2(3) . . ?
C43 C42 C41 121.2(3) . . ?
C42 C43 C44 119.0(3) . . ?
C42 C43 C49 122.0(3) . . ?
C44 C43 C49 119.0(3) . . ?
C39 C44 C43 119.7(3) . . ?
C39 C44 C52 121.9(3) . . ?
C43 C44 C52 118.3(3) . . ?
C46 C45 C40 121.5(3) . . ?
C45 C46 C47 119.7(3) . . ?
C48 C47 C46 121.0(3) . . ?
C47 C48 C41 120.9(3) . . ?
C50 C49 C43 120.9(3) . . ?
C49 C50 C51 120.3(3) . . ?
C52 C51 C50 120.5(3) . . ?
C51 C52 C44 121.1(3) . . ?
C54 C53 C19 119.8(5) . . ?
C54S C53 C19 117.4(9) . . ?
C58 C53 C19 122.8(3) . . ?
C58 C53 C54 115.0(6) . . ?
C58 C53 C54S 117.9(10) . . ?
C55 C54 C53 121.1(8) . . ?
C56 C55 C54 121.9(8) . . ?
C55 C56 C57 118.6(7) . . ?
C53 C54S C55S 118.6(15) . . ?
C56S C55S C54S 120.1(16) . . ?
C55S C56S C57 123.5(15) . . ?
C56 C57 C59 119.5(6) . . ?
C58 C57 C56 118.9(5) . . ?
C58 C57 C56S 107.7(7) . . ?
C58 C57 C59 118.6(4) . . ?
C59 C57 C56S 130.2(8) . . ?
C53 C58 C57 124.0(4) . . ?
C60 C59 C57 124.2(4) . . ?
C60 C59 C64 117.1(4) . . ?
C64 C59 C57 118.0(4) . . ?
C59 C60 C61 120.5(5) . . ?
C60 C61 C62 120.8(5) . . ?
C63 C62 C61 120.6(5) . . ?
C62 C63 C35 121.0(4) . . ?
C62 C63 C64 116.8(4) . . ?
C64 C63 C35 121.7(4) . . ?
C63 C64 C59 123.5(4) . . ?
C66 C65 C37 119.8(4) . . ?
C70 C65 C37 121.0(4) . . ?
C70 C65 C66 119.2(4) . . ?
C67 C66 C65 120.9(5) . . ?
C66 C67 C68 117.9(5) . . ?
C66 C67 C71 123.4(5) . . ?
C68 C67 C71 118.7(4) . . ?
C69 C68 C67 123.3(4) . . ?
C68 C69 C70 117.1(5) . . ?
C68 C69 C75 119.6(4) . . ?
C70 C69 C75 123.2(5) . . ?
C65 C70 C69 121.7(4) . . ?
C67 C71 C72 108.3(6) . . ?
C67 C71 C72S 105.1(9) . . ?
C73 C71 C67 111.7(5) . . ?
C73 C71 C72 101.3(6) . . ?
C74 C71 C67 108.2(5) . . ?
C74 C71 C72 101.9(6) . . ?
C74 C71 C73 123.8(7) . . ?
C73S C71 C67 117.9(9) . . ?
C73S C71 C72S 100.9(16) . . ?
C74S C71 C67 135.5(10) . . ?
C74S C71 C72S 94.0(14) . . ?
C74S C71 C73S 96.6(5) . . ?
C69 C75 C76 116.6(5) . . ?
C69 C75 C77 107.3(6) . . ?
C69 C75 C76S 110.8(5) . . ?
C69 C75 C77S 104.3(6) . . ?
C69 C75 C78S 104.8(6) . . ?
C76 C75 C77 92.4(7) . . ?
C78 C75 C69 126.9(6) . . ?
C78 C75 C76 109.6(7) . . ?
C78 C75 C77 95.1(9) . . ?
C76S C75 C78S 108.9(8) . . ?
C77S C75 C76S 120.0(8) . . ?
C77S C75 C78S 107.0(6) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 326.2 112.1 ?
2 0.202 0.216 0.179 20.7 0.0 ?
3 0.202 0.284 0.679 20.7 0.0 ?
4 0.000 0.500 1.000 326.2 112.1 ?
5 -0.202 0.716 0.321 20.7 0.0 ?
6 -0.202 0.784 0.821 20.7 0.0 ?
7 0.500 0.000 1.000 373.0 165.5 ?
8 0.500 0.500 0.500 373.0 165.5 ?

_olex2_submission_special_instructions 'No special instructions were received'
