# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ZJNU-53
_database_code_depnum_ccdc_archive 'CCDC 1458075'
_audit_update_record             
;
2016-03-15 deposited with the CCDC.
2016-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H16 Cu2 O10'
_chemical_formula_weight         639.49

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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   r-3m

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'x, x-y, z'
'-x+y, y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'

_cell_length_a                   18.4039(2)
_cell_length_b                   18.4039(2)
_cell_length_c                   46.9176(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     13762.1(4)
_cell_formula_units_Z            9
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    16512
_cell_measurement_theta_min      1
_cell_measurement_theta_max      52

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2898
_exptl_absorpt_coefficient_mu    1.080
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7741
_exptl_absorpt_correction_T_max  0.8814
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16512
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_unetI/netI     0.0108
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_theta_min         3.35
_diffrn_reflns_theta_max         66.53
_reflns_number_total             2980
_reflns_number_gt                2477
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2  (Bruker, 2008)'
_computing_cell_refinement       'SAINT+ ver. (Bruker, 2001)'
_computing_data_reduction        'SAINT+ ver. (Bruker, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1612P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2980
_refine_ls_number_parameters     222
_refine_ls_number_restraints     260
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0700
_refine_ls_wR_factor_ref         0.2617
_refine_ls_wR_factor_gt          0.2456
_refine_ls_goodness_of_fit_ref   1.436
_refine_ls_restrained_S_all      1.488
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.61753(3) 0.808765(16) 0.810457(11) 0.0698(4) Uani 1 2 d SU . .
O1 O 0.55680(13) 0.70425(17) 0.83159(5) 0.0867(7) Uani 1 1 d U A -1
O2 O 0.63890(15) 0.7460(2) 0.87041(5) 0.0963(8) Uani 1 1 d U . -1
C1 C 0.5749(2) 0.6942(3) 0.85620(7) 0.0828(9) Uani 1 1 d U . .
C2 C 0.44440(17) 0.55560(17) 0.85685(9) 0.0795(12) Uani 1 2 d SDU . .
H2A H 0.4347 0.5653 0.8382 0.095 Uiso 1 2 calc SR A .
C3 C 0.5171(2) 0.6138(3) 0.87079(8) 0.0917(11) Uani 1 1 d DU A .
C4 C 0.5299(3) 0.5997(3) 0.89859(9) 0.1148(16) Uani 1 1 d DU . .
H4A H 0.5784 0.6388 0.9080 0.138 Uiso 1 1 calc R A .
C5 C 0.4719(3) 0.5281(3) 0.91283(15) 0.148(4) Uani 1 2 d SDU . .
C6 C 0.4797(3) 0.5203(3) 0.9434(2) 0.126(8) Uani 0.50 2 d SPDU . .
C7 C 0.4885(6) 0.5115(6) 0.9680(2) 0.188(10) Uani 0.50 2 d SPDU . .
C8 C 0.4886(11) 0.4886(11) 1.0000 0.151(3) Uani 0.25 2 d SPDU . 1
C9 C 0.5697(12) 0.525(2) 1.0111(4) 0.141(6) Uani 0.13 1 d PDU . 1
H9A H 0.6142 0.5310 0.9989 0.169 Uiso 0.13 1 d PR . 1
C10 C 0.5768(14) 0.521(2) 1.0405(4) 0.127(6) Uani 0.13 1 d PDU . 1
H10A H 0.6199 0.5137 1.0492 0.152 Uiso 0.13 1 d PR . 1
C11 C 0.5116(18) 0.510(3) 1.0582(4) 0.134(6) Uani 0.13 1 d PDU . 1
C12 C 0.4369(11) 0.4955(14) 1.0464(3) 0.146(4) Uani 0.13 1 d PDU . 1
C13 C 0.4299(10) 0.4994(14) 1.0168(3) 0.157(4) Uani 0.13 1 d PDU . 1
C14 C 0.3726(18) 0.484(2) 1.0644(5) 0.144(6) Uani 0.13 1 d PDU B 1
H14A H 0.3796 0.4834 1.0847 0.173 Uiso 0.13 1 d PR B 1
C15 C 0.2975(19) 0.4679(19) 1.0529(7) 0.145(6) Uani 0.13 1 d PDU B 1
H15A H 0.2607 0.4765 1.0652 0.174 Uiso 0.13 1 d PR B 1
C16 C 0.2852(13) 0.463(2) 1.0237(8) 0.155(7) Uani 0.13 1 d PDU B 1
H16A H 0.2427 0.4721 1.0152 0.186 Uiso 0.13 1 d PR B 1
C17 C 0.3529(17) 0.483(3) 1.0060(6) 0.157(6) Uani 0.13 1 d PDU . 1
H17A H 0.3368 0.4680 0.9865 0.188 Uiso 0.13 1 d PR . 1
C8' C 0.4886(11) 0.4886(11) 1.0000 0.151(3) Uani 0.25 2 d SPDU . 2
C9' C 0.5376(5) 0.4624(5) 1.0114(5) 0.180(6) Uani 0.25 2 d SPDU . 2
H9'A H 0.5660 0.4338 1.0012 0.216 Uiso 0.25 2 d SPR . 2
C10' C 0.5417(6) 0.4583(6) 1.0411(5) 0.176(6) Uani 0.25 2 d SPDU . 2
H10B H 0.5771 0.4490 1.0507 0.212 Uiso 0.13 1 d PR . 2
C11' C 0.5055(8) 0.4945(8) 1.0576(5) 0.158(4) Uani 0.25 2 d SPDU . 2
C12' C 0.4369(11) 0.4955(14) 1.0464(3) 0.146(4) Uani 0.13 1 d PDU . 2
C13' C 0.4299(10) 0.4994(14) 1.0168(3) 0.157(4) Uani 0.13 1 d PDU . 2
C14' C 0.391(2) 0.510(2) 1.0659(5) 0.163(6) Uani 0.13 1 d PDU C 2
H14B H 0.3967 0.5170 1.0862 0.195 Uiso 0.13 1 d PR C 2
C15' C 0.327(2) 0.518(2) 1.0550(8) 0.174(7) Uani 0.13 1 d PDU C 2
H15B H 0.2972 0.5398 1.0653 0.209 Uiso 0.13 1 d PR C 2
C16' C 0.3090(17) 0.513(2) 1.0264(9) 0.177(7) Uani 0.13 1 d PDU . 2
H16B H 0.2770 0.5312 1.0156 0.213 Uiso 0.13 1 d PR . 2
C17' C 0.363(2) 0.508(3) 1.0069(6) 0.160(6) Uani 0.13 1 d PDU . 2
H17B H 0.3526 0.4956 0.9868 0.191 Uiso 0.13 1 d PR . 2
O1W O 0.5430(4) 0.77149(19) 0.77307(9) 0.152(2) Uani 1 2 d SU A .
H1WA H 0.4923 0.7580 0.7768 0.182 Uiso 0.50 1 d PR . .
H1WB H 0.5441 0.7314 0.7656 0.182 Uiso 0.50 1 d PR . .


_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
Cu1 O2 1.943(3) 31_666 ?
Cu1 O2 1.943(3) 17_656 ?
Cu1 O1 1.945(3) . ?
Cu1 O1 1.945(3) 23_565 ?
Cu1 O1W 2.119(3) . ?
Cu1 Cu1 2.6572(10) 31_666 ?
O1 C1 1.241(4) . ?
O2 C1 1.271(4) . ?
O2 Cu1 1.943(3) 31_666 ?
C1 C3 1.489(5) . ?
C2 C3 1.390(4) . ?
C2 C3 1.390(4) 22_665 ?
C2 H2A 0.9300 . ?
C3 C4 1.373(5) . ?
C4 C5 1.384(5) . ?
C4 H4A 0.9300 . ?
C5 C4 1.384(6) 22_665 ?
C5 C6 1.453(12) . ?
C5 C11' 1.56(2) 19_667 ?
C5 C11 1.62(3) 4_557 ?
C5 C11 1.62(3) 19_667 ?
C6 C11' 0.47(3) 19_667 ?
C6 C11 0.65(4) 4_557 ?
C6 C11 0.65(4) 19_667 ?
C6 C10' 1.00(3) 19_667 ?
C6 C7 1.190(13) . ?
C6 C10 1.20(3) 4_557 ?
C6 C10 1.20(3) 19_667 ?
C6 C12' 1.765(19) 4_557 ?
C6 C12 1.765(19) 4_557 ?
C6 C12 1.765(19) 19_667 ?
C6 C12' 1.765(19) 19_667 ?
C7 C10' 1.05(2) 19_667 ?
C7 C10 1.11(2) 4_557 ?
C7 C10 1.11(2) 19_667 ?
C7 C11' 1.22(3) 19_667 ?
C7 C11 1.29(3) 19_667 ?
C7 C11 1.29(3) 4_557 ?
C7 C9' 1.28(3) 19_667 ?
C7 C9 1.36(2) 4_557 ?
C7 C9 1.36(2) 19_667 ?
C7 C8 1.560(10) 19_667 ?
C7 C8' 1.560(10) 19_667 ?
C8 C8 0.42(4) 19_667 ?
C8 C9 1.10(2) 19_667 ?
C8 C9 1.10(2) 22_665 ?
C8 C9 1.395(16) 4_557 ?
C8 C9 1.395(16) . ?
C8 C13 1.428(10) 4_557 ?
C8 C13 1.428(10) . ?
C8 C7 1.560(10) 19_667 ?
C8 C13 1.608(18) 19_667 ?
C8 C13 1.608(18) 22_665 ?
C9 C8 1.10(2) 19_667 ?
C9 C13 1.38(3) 19_667 ?
C9 C7 1.36(2) 19_667 ?
C9 C10 1.391(17) . ?
C9 C17 1.71(4) 19_667 ?
C9 C9 1.75(6) 22_665 ?
C9 C9 1.76(5) 4_557 ?
C9 C13 2.05(3) 4_557 ?
C9 C13 1.85(3) 22_665 ?
C9 H9A 0.9597 . ?
C10 C7 1.11(2) 19_667 ?
C10 C6 1.20(3) 19_667 ?
C10 C11 1.386(18) . ?
C10 C11 1.62(5) 22_665 ?
C10 C10 1.80(6) 22_665 ?
C10 C12 1.86(3) 22_665 ?
C10 H10A 0.9596 . ?
C11 C11 0.39(9) 22_665 ?
C11 C6 0.65(4) 19_667 ?
C11 C12 1.19(4) 22_665 ?
C11 C7 1.29(3) 19_667 ?
C11 C12 1.380(17) . ?
C11 C10 1.62(5) 22_665 ?
C11 C5 1.62(3) 19_667 ?
C12 C11 1.19(4) 22_665 ?
C12 C12 1.24(4) 22_665 ?
C12 C14 1.381(18) . ?
C12 C13 1.401(11) . ?
C12 C7 1.59(2) 19_667 ?
C12 C6 1.765(19) 19_667 ?
C12 C13 1.89(2) 22_665 ?
C12 C10 1.86(3) 22_665 ?
C13 C13 1.30(4) 22_665 ?
C13 C9 1.38(3) 19_667 ?
C13 C17 1.391(17) . ?
C13 C8 1.608(18) 19_667 ?
C13 C7 1.76(2) 19_667 ?
C13 C12 1.89(2) 22_665 ?
C13 C9 2.05(3) 4_557 ?
C13 C9 1.85(3) 22_665 ?
C14 C15 1.369(19) . ?
C14 H14A 0.9618 . ?
C14 H14B 1.1613 . ?
C15 C16 1.389(18) . ?
C15 H15A 0.9602 . ?
C16 C17 1.383(18) . ?
C16 H16A 0.9598 . ?
C17 C9 1.71(4) 19_667 ?
C17 H17A 0.9617 . ?
C17 H17B 0.9268 . ?
C9' C7 1.28(3) 19_667 ?
C9' C8' 1.329(15) 19_667 ?
C9' C10' 1.401(18) . ?
C9' C13' 1.48(2) 4_557 ?
C9' C13' 1.48(2) 19_667 ?
C9' C17' 1.84(4) 19_667 ?
C9' C17' 1.84(4) 4_557 ?
C9' H9'A 1.0263 . ?
C10' C6 1.00(3) 19_667 ?
C10' C7 1.05(2) 19_667 ?
C10' C11' 1.388(18) . ?
C10' H10B 0.8751 . ?
C11' C6 0.47(3) 19_667 ?
C11' C7 1.22(3) 19_667 ?
C11' C12' 1.377(16) 22_665 ?
C11' C5 1.56(2) 19_667 ?
C14' C15' 1.35(2) . ?
C14' C14' 1.81(7) 22_665 ?
C14' C12' 2.03(3) 22_665 ?
C14' H14A 0.9822 . ?
C14' H14B 0.9615 . ?
C15' C16' 1.374(18) . ?
C15' H15B 0.9597 . ?
C16' C17' 1.384(18) . ?
C16' C16' 1.94(4) 24 ?
C16' H16B 0.9598 . ?
C17' C9' 1.84(4) 19_667 ?
C17' H17B 0.9622 . ?
O1W H1WA 0.8549 . ?
O1W H1WB 0.8272 . ?

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
O2 Cu1 O2 88.2(2) 31_666 17_656 ?
O2 Cu1 O1 167.74(10) 31_666 . ?
O2 Cu1 O1 90.03(14) 17_656 . ?
O2 Cu1 O1 90.03(14) 31_666 23_565 ?
O2 Cu1 O1 167.74(10) 17_656 23_565 ?
O1 Cu1 O1 89.13(16) . 23_565 ?
O2 Cu1 O1W 94.00(15) 31_666 . ?
O2 Cu1 O1W 94.00(15) 17_656 . ?
O1 Cu1 O1W 98.22(14) . . ?
O1 Cu1 O1W 98.22(14) 23_565 . ?
O2 Cu1 Cu1 84.56(7) 31_666 31_666 ?
O2 Cu1 Cu1 84.56(7) 17_656 31_666 ?
O1 Cu1 Cu1 83.19(7) . 31_666 ?
O1 Cu1 Cu1 83.19(7) 23_565 31_666 ?
O1W Cu1 Cu1 178.00(18) . 31_666 ?
C1 O1 Cu1 123.9(3) . . ?
C1 O2 Cu1 121.7(2) . 31_666 ?
O1 C1 O2 126.4(4) . . ?
O1 C1 C3 117.6(3) . . ?
O2 C1 C3 116.0(3) . . ?
C3 C2 C3 120.1(5) . 22_665 ?
C3 C2 H2A 119.9 . . ?
C3 C2 H2A 119.9 22_665 . ?
C4 C3 C2 119.4(4) . . ?
C4 C3 C1 121.3(3) . . ?
C2 C3 C1 118.9(3) . . ?
C5 C4 C3 121.0(4) . . ?
C5 C4 H4A 119.5 . . ?
C3 C4 H4A 119.5 . . ?
C4 C5 C4 119.0(6) 22_665 . ?
C4 C5 C6 120.2(3) 22_665 . ?
C4 C5 C6 120.2(3) . . ?
C4 C5 C11' 120.0(3) 22_665 19_667 ?
C4 C5 C11' 120.0(3) . 19_667 ?
C6 C5 C11' 17.6(11) . 19_667 ?
C4 C5 C11 126.3(15) 22_665 4_557 ?
C4 C5 C11 112.5(17) . 4_557 ?
C6 C5 C11 23.6(14) . 4_557 ?
C11' C5 C11 8.6(19) 19_667 4_557 ?
C4 C5 C11 112.5(17) 22_665 19_667 ?
C4 C5 C11 126.3(15) . 19_667 ?
C6 C5 C11 23.6(14) . 19_667 ?
C11' C5 C11 8.6(19) 19_667 19_667 ?
C11 C5 C11 14(3) 4_557 19_667 ?
C11' C6 C11 18(3) 19_667 4_557 ?
C11' C6 C11 18(3) 19_667 19_667 ?
C11 C6 C11 35(6) 4_557 19_667 ?
C11' C6 C10' 139(4) 19_667 19_667 ?
C11 C6 C10' 137(3) 4_557 19_667 ?
C11 C6 C10' 137(3) 19_667 19_667 ?
C11' C6 C7 82(3) 19_667 . ?
C11 C6 C7 83(2) 4_557 . ?
C11 C6 C7 83(2) 19_667 . ?
C10' C6 C7 56.9(14) 19_667 . ?
C11' C6 C10 105(3) 19_667 4_557 ?
C11 C6 C10 92(3) 4_557 4_557 ?
C11 C6 C10 119(3) 19_667 4_557 ?
C10' C6 C10 53.2(18) 19_667 4_557 ?
C7 C6 C10 55.5(10) . 4_557 ?
C11' C6 C10 105(3) 19_667 19_667 ?
C11 C6 C10 119(3) 4_557 19_667 ?
C11 C6 C10 92(3) 19_667 19_667 ?
C10' C6 C10 53.2(18) 19_667 19_667 ?
C7 C6 C10 55.5(10) . 19_667 ?
C10 C6 C10 97(3) 4_557 19_667 ?
C11' C6 C5 94(3) 19_667 . ?
C11 C6 C5 93(2) 4_557 . ?
C11 C6 C5 93(2) 19_667 . ?
C10' C6 C5 127.0(14) 19_667 . ?
C7 C6 C5 176.1(10) . . ?
C10 C6 C5 126.0(10) 4_557 . ?
C10 C6 C5 126.0(10) 19_667 . ?
C11' C6 C12' 30(2) 19_667 4_557 ?
C11 C6 C12' 45(3) 4_557 4_557 ?
C11 C6 C12' 22(2) 19_667 4_557 ?
C10' C6 C12' 114.4(13) 19_667 4_557 ?
C7 C6 C12' 61.5(9) . 4_557 ?
C10 C6 C12' 105.8(14) 4_557 4_557 ?
C10 C6 C12' 75.2(17) 19_667 4_557 ?
C5 C6 C12' 114.9(7) . 4_557 ?
C11' C6 C12 30(2) 19_667 4_557 ?
C11 C6 C12 45(3) 4_557 4_557 ?
C11 C6 C12 22(2) 19_667 4_557 ?
C10' C6 C12 114.4(13) 19_667 4_557 ?
C7 C6 C12 61.5(9) . 4_557 ?
C10 C6 C12 105.8(14) 4_557 4_557 ?
C10 C6 C12 75.2(17) 19_667 4_557 ?
C5 C6 C12 114.9(7) . 4_557 ?
C12' C6 C12 0.0(10) 4_557 4_557 ?
C11' C6 C12 30(2) 19_667 19_667 ?
C11 C6 C12 22(2) 4_557 19_667 ?
C11 C6 C12 45(3) 19_667 19_667 ?
C10' C6 C12 114.4(13) 19_667 19_667 ?
C7 C6 C12 61.5(9) . 19_667 ?
C10 C6 C12 75.2(17) 4_557 19_667 ?
C10 C6 C12 105.8(14) 19_667 19_667 ?
C5 C6 C12 114.9(7) . 19_667 ?
C12' C6 C12 41.3(14) 4_557 19_667 ?
C12 C6 C12 41.3(14) 4_557 19_667 ?
C11' C6 C12' 30(2) 19_667 19_667 ?
C11 C6 C12' 22(2) 4_557 19_667 ?
C11 C6 C12' 45(3) 19_667 19_667 ?
C10' C6 C12' 114.4(13) 19_667 19_667 ?
C7 C6 C12' 61.5(9) . 19_667 ?
C10 C6 C12' 75.2(17) 4_557 19_667 ?
C10 C6 C12' 105.8(14) 19_667 19_667 ?
C5 C6 C12' 114.9(7) . 19_667 ?
C12' C6 C12' 41.3(14) 4_557 19_667 ?
C12 C6 C12' 41.3(14) 4_557 19_667 ?
C12 C6 C12' 0.0(15) 19_667 19_667 ?
C10' C7 C10 55(2) 19_667 4_557 ?
C10' C7 C10 55(2) 19_667 19_667 ?
C10 C7 C10 108(4) 4_557 19_667 ?
C10' C7 C6 52.3(15) 19_667 . ?
C10 C7 C6 62.8(14) 4_557 . ?
C10 C7 C6 62.8(14) 19_667 . ?
C10' C7 C11' 75.0(13) 19_667 19_667 ?
C10 C7 C11' 73.8(14) 4_557 19_667 ?
C10 C7 C11' 73.8(14) 19_667 19_667 ?
C6 C7 C11' 22.6(13) . 19_667 ?
C10' C7 C11 81(2) 19_667 19_667 ?
C10 C7 C11 85(3) 4_557 19_667 ?
C10 C7 C11 70.1(13) 19_667 19_667 ?
C6 C7 C11 30.1(18) . 19_667 ?
C11' C7 C11 11(2) 19_667 19_667 ?
C10' C7 C11 81(2) 19_667 4_557 ?
C10 C7 C11 70.1(13) 4_557 4_557 ?
C10 C7 C11 85(3) 19_667 4_557 ?
C6 C7 C11 30.1(18) . 4_557 ?
C11' C7 C11 11(2) 19_667 4_557 ?
C11 C7 C11 18(4) 19_667 4_557 ?
C10' C7 C9' 73.2(16) 19_667 19_667 ?
C10 C7 C9' 87.9(18) 4_557 19_667 ?
C10 C7 C9' 87.9(18) 19_667 19_667 ?
C6 C7 C9' 125.5(16) . 19_667 ?
C11' C7 C9' 148.2(19) 19_667 19_667 ?
C11 C7 C9' 153.1(19) 19_667 19_667 ?
C11 C7 C9' 153.1(19) 4_557 19_667 ?
C10' C7 C9 94(2) 19_667 4_557 ?
C10 C7 C9 67.6(12) 4_557 4_557 ?
C10 C7 C9 131(3) 19_667 4_557 ?
C6 C7 C9 130.0(11) . 4_557 ?
C11' C7 C9 138.9(12) 19_667 4_557 ?
C11 C7 C9 149(3) 19_667 4_557 ?
C11 C7 C9 131(2) 4_557 4_557 ?
C9' C7 C9 44.6(17) 19_667 4_557 ?
C10' C7 C9 94(2) 19_667 19_667 ?
C10 C7 C9 131(3) 4_557 19_667 ?
C10 C7 C9 67.6(12) 19_667 19_667 ?
C6 C7 C9 130.0(11) . 19_667 ?
C11' C7 C9 138.9(12) 19_667 19_667 ?
C11 C7 C9 131(2) 19_667 19_667 ?
C11 C7 C9 149(3) 4_557 19_667 ?
C9' C7 C9 44.6(17) 19_667 19_667 ?
C9 C7 C9 80(3) 4_557 19_667 ?
C10' C7 C8 127.2(19) 19_667 19_667 ?
C10 C7 C8 110.2(16) 4_557 19_667 ?
C10 C7 C8 124.2(15) 19_667 19_667 ?
C6 C7 C8 172.3(8) . 19_667 ?
C11' C7 C8 156.2(18) 19_667 19_667 ?
C11 C7 C8 151(2) 19_667 19_667 ?
C11 C7 C8 147(2) 4_557 19_667 ?
C9' C7 C8 54.8(9) 19_667 19_667 ?
C9 C7 C8 43.7(11) 4_557 19_667 ?
C9 C7 C8 56.6(9) 19_667 19_667 ?
C10' C7 C8' 127.2(19) 19_667 19_667 ?
C10 C7 C8' 110.2(16) 4_557 19_667 ?
C10 C7 C8' 124.2(15) 19_667 19_667 ?
C6 C7 C8' 172.3(8) . 19_667 ?
C11' C7 C8' 156.2(18) 19_667 19_667 ?
C11 C7 C8' 151(2) 19_667 19_667 ?
C11 C7 C8' 147(2) 4_557 19_667 ?
C9' C7 C8' 54.8(9) 19_667 19_667 ?
C9 C7 C8' 43.7(11) 4_557 19_667 ?
C9 C7 C8' 56.6(9) 19_667 19_667 ?
C8 C7 C8' 0.0(14) 19_667 19_667 ?
C8 C8 C9 127(2) 19_667 19_667 ?
C8 C8 C9 127(2) 19_667 22_665 ?
C9 C8 C9 106(5) 19_667 22_665 ?
C8 C8 C9 39.0(15) 19_667 4_557 ?
C9 C8 C9 88(3) 19_667 4_557 ?
C9 C8 C9 166.1(16) 22_665 4_557 ?
C8 C8 C9 39.0(15) 19_667 . ?
C9 C8 C9 166.1(16) 19_667 . ?
C9 C8 C9 88(3) 22_665 . ?
C9 C8 C9 78(3) 4_557 . ?
C8 C8 C13 108.0(11) 19_667 4_557 ?
C9 C8 C13 93(2) 19_667 4_557 ?
C9 C8 C13 64.9(13) 22_665 4_557 ?
C9 C8 C13 115.3(12) 4_557 4_557 ?
C9 C8 C13 92.9(16) . 4_557 ?
C8 C8 C13 108.0(11) 19_667 . ?
C9 C8 C13 64.9(13) 19_667 . ?
C9 C8 C13 93(2) 22_665 . ?
C9 C8 C13 92.9(16) 4_557 . ?
C9 C8 C13 115.3(12) . . ?
C13 C8 C13 144(2) 4_557 . ?
C8 C8 C7 82.3(7) 19_667 19_667 ?
C9 C8 C7 133.3(15) 19_667 19_667 ?
C9 C8 C7 58.4(12) 22_665 19_667 ?
C9 C8 C7 111.9(13) 4_557 19_667 ?
C9 C8 C7 54.4(10) . 19_667 ?
C13 C8 C7 113.0(8) 4_557 19_667 ?
C13 C8 C7 72.1(8) . 19_667 ?
C8 C8 C7 82.3(7) 19_667 . ?
C9 C8 C7 58.4(12) 19_667 . ?
C9 C8 C7 133.3(15) 22_665 . ?
C9 C8 C7 54.4(10) 4_557 . ?
C9 C8 C7 111.9(13) . . ?
C13 C8 C7 72.1(8) 4_557 . ?
C13 C8 C7 113.0(8) . . ?
C7 C8 C7 164.6(15) 19_667 . ?
C8 C8 C13 57.7(10) 19_667 19_667 ?
C9 C8 C13 122.3(11) 19_667 19_667 ?
C9 C8 C13 96.4(19) 22_665 19_667 ?
C9 C8 C13 75.6(16) 4_557 19_667 ?
C9 C8 C13 54.4(11) . 19_667 ?
C13 C8 C13 50.3(17) 4_557 19_667 ?
C13 C8 C13 165.7(13) . 19_667 ?
C7 C8 C13 103.8(9) 19_667 19_667 ?
C7 C8 C13 67.6(8) . 19_667 ?
C8 C8 C13 57.7(10) 19_667 22_665 ?
C9 C8 C13 96.4(19) 19_667 22_665 ?
C9 C8 C13 122.3(11) 22_665 22_665 ?
C9 C8 C13 54.4(11) 4_557 22_665 ?
C9 C8 C13 75.6(16) . 22_665 ?
C13 C8 C13 165.7(13) 4_557 22_665 ?
C13 C8 C13 50.3(17) . 22_665 ?
C7 C8 C13 67.6(8) 19_667 22_665 ?
C7 C8 C13 103.8(9) . 22_665 ?
C13 C8 C13 115(2) 19_667 22_665 ?
C8 C9 C13 69.1(11) 19_667 19_667 ?
C8 C9 C7 77.9(15) 19_667 19_667 ?
C13 C9 C7 131(3) 19_667 19_667 ?
C8 C9 C8 13.9(16) 19_667 . ?
C13 C9 C8 70.7(12) 19_667 . ?
C7 C9 C8 69.0(9) 19_667 . ?
C8 C9 C10 124.2(16) 19_667 . ?
C13 C9 C10 154(3) 19_667 . ?
C7 C9 C10 47.8(11) 19_667 . ?
C8 C9 C10 116.7(14) . . ?
C8 C9 C17 121.1(18) 19_667 19_667 ?
C13 C9 C17 52.1(12) 19_667 19_667 ?
C7 C9 C17 141(3) 19_667 19_667 ?
C8 C9 C17 121(2) . 19_667 ?
C10 C9 C17 110.7(16) . 19_667 ?
C8 C9 C9 53(2) 19_667 22_665 ?
C13 C9 C9 80.7(16) 19_667 22_665 ?
C7 C9 C9 50.0(14) 19_667 22_665 ?
C8 C9 C9 39.0(15) . 22_665 ?
C10 C9 C9 91.0(17) . 22_665 ?
C17 C9 C9 112(2) 19_667 22_665 ?
C8 C9 C9 37(2) 19_667 4_557 ?
C13 C9 C9 71.0(14) 19_667 4_557 ?
C7 C9 C9 103(2) 19_667 4_557 ?
C8 C9 C9 51.0(15) . 4_557 ?
C10 C9 C9 134(3) . 4_557 ?
C17 C9 C9 111.7(18) 19_667 4_557 ?
C9 C9 C9 90.00(4) 22_665 4_557 ?
C8 C9 C13 51.3(16) 19_667 4_557 ?
C13 C9 C13 38.8(16) 19_667 4_557 ?
C7 C9 C13 91.8(16) 19_667 4_557 ?
C8 C9 C13 44.2(9) . 4_557 ?
C10 C9 C13 128(3) . 4_557 ?
C17 C9 C13 79.6(19) 19_667 4_557 ?
C9 C9 C13 41.9(7) 22_665 4_557 ?
C9 C9 C13 77.3(10) 4_557 4_557 ?
C8 C9 C13 50.5(13) 19_667 22_665 ?
C13 C9 C13 113.6(13) 19_667 22_665 ?
C7 C9 C13 64.5(14) 19_667 22_665 ?
C8 C9 C13 57.4(11) . 22_665 ?
C10 C9 C13 89.3(16) . 22_665 ?
C17 C9 C13 154(3) 19_667 22_665 ?
C9 C9 C13 83.1(13) 22_665 22_665 ?
C9 C9 C13 45.1(15) 4_557 22_665 ?
C13 C9 C13 101.2(9) 4_557 22_665 ?
C8 C9 H9A 115.0 19_667 . ?
C13 C9 H9A 47.9 19_667 . ?
C7 C9 H9A 154.5 19_667 . ?
C8 C9 H9A 118.6 . . ?
C10 C9 H9A 119.9 . . ?
C17 C9 H9A 13.4 19_667 . ?
C9 C9 H9A 118.8 22_665 . ?
C9 C9 H9A 99.5 4_557 . ?
C13 C9 H9A 81.5 4_557 . ?
C13 C9 H9A 140.9 22_665 . ?
C7 C10 C6 61.7(14) 19_667 19_667 ?
C7 C10 C11 60.8(17) 19_667 . ?
C6 C10 C11 28(2) 19_667 . ?
C7 C10 C9 64.6(14) 19_667 . ?
C6 C10 C9 125.9(19) 19_667 . ?
C11 C10 C9 120.3(15) . . ?
C7 C10 C11 52.3(18) 19_667 22_665 ?
C6 C10 C11 20.5(12) 19_667 22_665 ?
C11 C10 C11 12(3) . 22_665 ?
C9 C10 C11 115.3(16) . 22_665 ?
C7 C10 C10 36(2) 19_667 22_665 ?
C6 C10 C10 41.5(14) 19_667 22_665 ?
C11 C10 C10 60(2) . 22_665 ?
C9 C10 C10 89.0(17) . 22_665 ?
C11 C10 C10 47.5(15) 22_665 22_665 ?
C7 C10 C12 58.2(17) 19_667 22_665 ?
C6 C10 C12 66.3(15) 19_667 22_665 ?
C11 C10 C12 39.6(19) . 22_665 ?
C9 C10 C12 91.0(17) . 22_665 ?
C11 C10 C12 46.0(9) 22_665 22_665 ?
C10 C10 C12 81.4(12) 22_665 22_665 ?
C7 C10 H10A 145.4 19_667 . ?
C6 C10 H10A 99.1 19_667 . ?
C11 C10 H10A 116.0 . . ?
C9 C10 H10A 122.5 . . ?
C11 C10 H10A 117.3 22_665 . ?
C10 C10 H10A 110.2 22_665 . ?
C12 C10 H10A 143.7 22_665 . ?
C7 C10 H10B 97.4 19_667 . ?
C6 C10 H10B 66.4 19_667 . ?
C11 C10 H10B 93.7 . . ?
C9 C10 H10B 115.8 . . ?
C11 C10 H10B 86.7 22_665 . ?
C10 C10 H10B 62.2 22_665 . ?
C12 C10 H10B 132.7 22_665 . ?
H10A C10 H10B 48.2 . . ?
C11 C11 C6 72(3) 22_665 19_667 ?
C11 C11 C12 111(2) 22_665 22_665 ?
C6 C11 C12 145(3) 19_667 22_665 ?
C11 C11 C7 81.2(18) 22_665 19_667 ?
C6 C11 C7 67(3) 19_667 19_667 ?
C12 C11 C7 79.7(16) 22_665 19_667 ?
C11 C11 C12 54(2) 22_665 . ?
C6 C11 C12 116(5) 19_667 . ?
C12 C11 C12 57(2) 22_665 . ?
C7 C11 C12 73.1(13) 19_667 . ?
C11 C11 C10 120(2) 22_665 . ?
C6 C11 C10 60(3) 19_667 . ?
C12 C11 C10 92(3) 22_665 . ?
C7 C11 C10 49.1(12) 19_667 . ?
C12 C11 C10 119.5(14) . . ?
C11 C11 C10 47.5(15) 22_665 22_665 ?
C6 C11 C10 40(3) 19_667 22_665 ?
C12 C11 C10 115.6(17) 22_665 22_665 ?
C7 C11 C10 43.2(15) 19_667 22_665 ?
C12 C11 C10 76(2) . 22_665 ?
C10 C11 C10 73(3) . 22_665 ?
C11 C11 C5 83.1(15) 22_665 19_667 ?
C6 C11 C5 63(2) 19_667 19_667 ?
C12 C11 C5 150(3) 22_665 19_667 ?
C7 C11 C5 130(3) 19_667 19_667 ?
C12 C11 C5 129(2) . 19_667 ?
C10 C11 C5 103.5(19) . 19_667 ?
C10 C11 C5 94(3) 22_665 19_667 ?
C11 C12 C12 69(2) 22_665 22_665 ?
C11 C12 C14 113(2) 22_665 . ?
C12 C12 C14 120.4(16) 22_665 . ?
C11 C12 C11 15(4) 22_665 . ?
C12 C12 C11 54(2) 22_665 . ?
C14 C12 C11 118.8(18) . . ?
C11 C12 C13 124.7(17) 22_665 . ?
C12 C12 C13 91.2(12) 22_665 . ?
C14 C12 C13 121.3(15) . . ?
C11 C12 C13 119.8(12) . . ?
C11 C12 C7 52.8(16) 22_665 19_667 ?
C12 C12 C7 67.0(8) 22_665 19_667 ?
C14 C12 C7 163(2) . 19_667 ?
C11 C12 C7 50.8(12) . 19_667 ?
C13 C12 C7 71.9(8) . 19_667 ?
C11 C12 C6 12.1(13) 22_665 19_667 ?
C12 C12 C6 69.4(7) 22_665 19_667 ?
C14 C12 C6 123.9(16) . 19_667 ?
C11 C12 C6 19(2) . 19_667 ?
C13 C12 C6 112.9(9) . 19_667 ?
C7 C12 C6 41.1(6) 19_667 19_667 ?
C11 C12 C13 100(2) 22_665 22_665 ?
C12 C12 C13 47.8(7) 22_665 22_665 ?
C14 C12 C13 137.1(19) . 22_665 ?
C11 C12 C13 87.7(16) . 22_665 ?
C13 C12 C13 43.4(14) . 22_665 ?
C7 C12 C13 60.1(8) 19_667 22_665 ?
C6 C12 C13 92.6(9) 19_667 22_665 ?
C11 C12 C10 48.0(12) 22_665 22_665 ?
C12 C12 C10 98.6(13) 22_665 22_665 ?
C14 C12 C10 128(2) . 22_665 ?
C11 C12 C10 58(2) . 22_665 ?
C13 C12 C10 88.3(11) . 22_665 ?
C7 C12 C10 36.5(10) 19_667 22_665 ?
C6 C12 C10 38.5(10) 19_667 22_665 ?
C13 C12 C10 94.6(10) 22_665 22_665 ?
C13 C13 C9 99.3(17) 22_665 19_667 ?
C13 C13 C17 128(2) 22_665 . ?
C9 C13 C17 76.1(19) 19_667 . ?
C13 C13 C12 88.8(12) 22_665 . ?
C9 C13 C12 155(2) 19_667 . ?
C17 C13 C12 117.4(13) . . ?
C13 C13 C8 72.0(11) 22_665 . ?
C9 C13 C8 46.1(11) 19_667 . ?
C17 C13 C8 122.2(18) . . ?
C12 C13 C8 116.3(9) . . ?
C13 C13 C8 57.7(10) 22_665 19_667 ?
C9 C13 C8 55.0(8) 19_667 19_667 ?
C17 C13 C8 129.3(15) . 19_667 ?
C12 C13 C8 112.9(9) . 19_667 ?
C8 C13 C8 14.3(13) . 19_667 ?
C13 C13 C7 68.3(7) 22_665 19_667 ?
C9 C13 C7 101.6(14) 19_667 19_667 ?
C17 C13 C7 164(2) . 19_667 ?
C12 C13 C7 59.0(8) . 19_667 ?
C8 C13 C7 57.4(6) . 19_667 ?
C8 C13 C7 54.9(6) 19_667 19_667 ?
C13 C13 C12 47.8(7) 22_665 22_665 ?
C9 C13 C12 140.8(15) 19_667 22_665 ?
C17 C13 C12 138(2) . 22_665 ?
C12 C13 C12 41.1(14) . 22_665 ?
C8 C13 C12 97.2(11) . 22_665 ?
C8 C13 C12 86.3(10) 19_667 22_665 ?
C7 C13 C12 51.4(7) 19_667 22_665 ?
C13 C13 C9 41.9(7) 22_665 4_557 ?
C9 C13 C9 57(2) 19_667 4_557 ?
C17 C13 C9 111.3(17) . 4_557 ?
C12 C13 C9 126.4(14) . 4_557 ?
C8 C13 C9 42.9(9) . 4_557 ?
C8 C13 C9 32.3(9) 19_667 4_557 ?
C7 C13 C9 79.7(11) 19_667 4_557 ?
C12 C13 C9 87.1(11) 22_665 4_557 ?
C13 C13 C9 96.9(13) 22_665 22_665 ?
C9 C13 C9 64.0(18) 19_667 22_665 ?
C17 C13 C9 124(3) . 22_665 ?
C12 C13 C9 91.3(11) . 22_665 ?
C8 C13 C9 36.5(11) . 22_665 ?
C8 C13 C9 47.0(8) 19_667 22_665 ?
C7 C13 C9 44.1(10) 19_667 22_665 ?
C12 C13 C9 95.5(11) 22_665 22_665 ?
C9 C13 C9 78.8(9) 4_557 22_665 ?
C15 C14 C12 119.3(18) . . ?
C15 C14 H14A 120.8 . . ?
C12 C14 H14A 119.8 . . ?
C15 C14 H14B 122.5 . . ?
C12 C14 H14B 112.6 . . ?
H14A C14 H14B 27.5 . . ?
C14 C15 C16 121.1(19) . . ?
C14 C15 H15A 116.7 . . ?
C16 C15 H15A 119.6 . . ?
C14 C15 H15B 96.4 . . ?
C16 C15 H15B 112.1 . . ?
H15A C15 H15B 44.2 . . ?
C15 C16 C17 118.6(15) . . ?
C15 C16 H16A 121.3 . . ?
C17 C16 H16A 114.1 . . ?
C15 C16 H16B 107.7 . . ?
C17 C16 H16B 94.8 . . ?
H16A C16 H16B 43.0 . . ?
C16 C17 C13 121.7(16) . . ?
C16 C17 C9 159(4) . 19_667 ?
C13 C17 C9 51.8(13) . 19_667 ?
C16 C17 H17A 112.9 . . ?
C13 C17 H17A 122.6 . . ?
C9 C17 H17A 70.9 19_667 . ?
C16 C17 H17B 122.2 . . ?
C13 C17 H17B 115.4 . . ?
C9 C17 H17B 70.9 19_667 . ?
H17A C17 H17B 26.9 . . ?
C7 C9' C8' 73.5(11) 19_667 19_667 ?
C7 C9' C10' 46.1(11) 19_667 . ?
C8' C9' C10' 119.0(13) 19_667 . ?
C7 C9' C13' 129.7(15) 19_667 4_557 ?
C8' C9' C13' 69.7(13) 19_667 4_557 ?
C10' C9' C13' 153.8(9) . 4_557 ?
C7 C9' C13' 129.7(15) 19_667 19_667 ?
C8' C9' C13' 60.9(10) 19_667 19_667 ?
C10' C9' C13' 153.8(10) . 19_667 ?
C13' C9' C13' 52.3(18) 4_557 19_667 ?
C7 C9' C17' 138.4(15) 19_667 19_667 ?
C8' C9' C17' 104.9(15) 19_667 19_667 ?
C10' C9' C17' 114.0(12) . 19_667 ?
C13' C9' C17' 84.5(18) 4_557 19_667 ?
C13' C9' C17' 48.4(9) 19_667 19_667 ?
C7 C9' C17' 138.4(15) 19_667 4_557 ?
C8' C9' C17' 117.4(16) 19_667 4_557 ?
C10' C9' C17' 114.0(12) . 4_557 ?
C13' C9' C17' 48.4(9) 4_557 4_557 ?
C13' C9' C17' 84.5(18) 19_667 4_557 ?
C17' C9' C17' 80(3) 19_667 4_557 ?
C7 C9' H9A 111.1 19_667 . ?
C8' C9' H9A 76.9 19_667 . ?
C10' C9' H9A 113.0 . . ?
C13' C9' H9A 92.7 4_557 . ?
C13' C9' H9A 40.9 19_667 . ?
C17' C9' H9A 34.1 19_667 . ?
C17' C9' H9A 110.5 4_557 . ?
C7 C9' H9'A 158.5 19_667 . ?
C8' C9' H9'A 127.7 19_667 . ?
C10' C9' H9'A 112.3 . . ?
C13' C9' H9'A 68.7 4_557 . ?
C13' C9' H9'A 68.8 19_667 . ?
C17' C9' H9'A 41.3 19_667 . ?
C17' C9' H9'A 41.1 4_557 . ?
H9A C9' H9'A 74.9 . . ?
C6 C10' C7 70.8(17) 19_667 19_667 ?
C6 C10' C11' 13.0(12) 19_667 . ?
C7 C10' C11' 57.8(15) 19_667 . ?
C6 C10' C9' 131.5(17) 19_667 . ?
C7 C10' C9' 60.7(15) 19_667 . ?
C11' C10' C9' 118.5(14) . . ?
C6 C10' H10A 88.9 19_667 . ?
C7 C10' H10A 111.3 19_667 . ?
C11' C10' H10A 93.9 . . ?
C9' C10' H10A 107.8 . . ?
C6 C10' H10B 100.5 19_667 . ?
C7 C10' H10B 162.1 19_667 . ?
C11' C10' H10B 113.0 . . ?
C9' C10' H10B 125.9 . . ?
H10A C10' H10B 51.8 . . ?
C6 C11' C7 76(3) 19_667 19_667 ?
C6 C11' C12' 140(3) 19_667 22_665 ?
C7 C11' C12' 75.4(13) 19_667 22_665 ?
C6 C11' C10' 28(3) 19_667 . ?
C7 C11' C10' 47.2(13) 19_667 . ?
C12' C11' C10' 117.2(13) 22_665 . ?
C6 C11' C5 68(3) 19_667 19_667 ?
C7 C11' C5 144(2) 19_667 19_667 ?
C12' C11' C5 135.3(16) 22_665 19_667 ?
C10' C11' C5 96.4(17) . 19_667 ?
C15' C14' C14' 112.6(9) . 22_665 ?
C15' C14' C12' 121.5(15) . 22_665 ?
C14' C14' C12' 41.0(9) 22_665 22_665 ?
C15' C14' H14A 114.2 . . ?
C14' C14' H14A 111.2 22_665 . ?
C12' C14' H14A 124.0 22_665 . ?
C15' C14' H14B 113.7 . . ?
C14' C14' H14B 83.3 22_665 . ?
C12' C14' H14B 111.6 22_665 . ?
H14A C14' H14B 32.3 . . ?
C14' C15' C16' 124(2) . . ?
C14' C15' H15A 117.3 . . ?
C16' C15' H15A 102.5 . . ?
C14' C15' H15B 124.4 . . ?
C16' C15' H15B 110.5 . . ?
H15A C15' H15B 55.7 . . ?
C15' C16' C17' 119.7(15) . . ?
C15' C16' C16' 102.0(14) . 24 ?
C17' C16' C16' 138.3(14) . 24 ?
C15' C16' H16A 127.8 . . ?
C17' C16' H16A 102.2 . . ?
C16' C16' H16A 44.5 24 . ?
C15' C16' H16B 131.5 . . ?
C17' C16' H16B 104.8 . . ?
C16' C16' H16B 37.8 24 . ?
H16A C16' H16B 50.9 . . ?
C16' C17' C9' 158(3) . 19_667 ?
C16' C17' H17A 120.5 . . ?
C9' C17' H17A 80.6 19_667 . ?
C16' C17' H17B 126.9 . . ?
C9' C17' H17B 70.3 19_667 . ?
H17A C17' H17B 21.7 . . ?
Cu1 O1W H1WA 111.0 . . ?
Cu1 O1W H1WB 110.0 . . ?
H1WA O1W H1WB 109.8 . . ?

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
O2 Cu1 O1 C1 6.6(7) 31_666 . . . ?
O2 Cu1 O1 C1 88.3(3) 17_656 . . . ?
O1 Cu1 O1 C1 -79.5(3) 23_565 . . . ?
O1W Cu1 O1 C1 -177.7(3) . . . . ?
Cu1 Cu1 O1 C1 3.8(3) 31_666 . . . ?
Cu1 O1 C1 O2 -7.0(6) . . . . ?
Cu1 O1 C1 C3 173.4(3) . . . . ?
Cu1 O2 C1 O1 6.0(6) 31_666 . . . ?
Cu1 O2 C1 C3 -174.4(3) 31_666 . . . ?
C3 C2 C3 C4 -1.5(8) 22_665 . . . ?
C3 C2 C3 C1 -175.1(3) 22_665 . . . ?
O1 C1 C3 C4 -176.2(4) . . . . ?
O2 C1 C3 C4 4.2(7) . . . . ?
O1 C1 C3 C2 -2.7(6) . . . . ?
O2 C1 C3 C2 177.7(4) . . . . ?
C2 C3 C4 C5 0.5(9) . . . . ?
C1 C3 C4 C5 174.0(6) . . . . ?
C3 C4 C5 C4 0.4(13) . . . 22_665 ?
C3 C4 C5 C6 -170.3(6) . . . . ?
C3 C4 C5 C11' 169.4(13) . . . 19_667 ?
C3 C4 C5 C11 164.7(12) . . . 4_557 ?
C3 C4 C5 C11 162.4(17) . . . 19_667 ?
C4 C5 C6 C11' 94.7(8) 22_665 . . 19_667 ?
C4 C5 C6 C11' -94.7(8) . . . 19_667 ?
C11 C5 C6 C11' -18(3) 4_557 . . 19_667 ?
C11 C5 C6 C11' 18(3) 19_667 . . 19_667 ?
C4 C5 C6 C11 112(3) 22_665 . . 4_557 ?
C4 C5 C6 C11 -77(3) . . . 4_557 ?
C11' C5 C6 C11 18(3) 19_667 . . 4_557 ?
C11 C5 C6 C11 35(6) 19_667 . . 4_557 ?
C4 C5 C6 C11 77(3) 22_665 . . 19_667 ?
C4 C5 C6 C11 -112(3) . . . 19_667 ?
C11' C5 C6 C11 -18(3) 19_667 . . 19_667 ?
C11 C5 C6 C11 -35(6) 4_557 . . 19_667 ?
C4 C5 C6 C10' -85.3(8) 22_665 . . 19_667 ?
C4 C5 C6 C10' 85.3(8) . . . 19_667 ?
C11' C5 C6 C10' 180.00(2) 19_667 . . 19_667 ?
C11 C5 C6 C10' 162(3) 4_557 . . 19_667 ?
C11 C5 C6 C10' -162(3) 19_667 . . 19_667 ?
C4 C5 C6 C7 94.7(9) 22_665 . . . ?
C4 C5 C6 C7 -94.7(8) . . . . ?
C11' C5 C6 C7 0.0(4) 19_667 . . . ?
C11 C5 C6 C7 -18(3) 4_557 . . . ?
C11 C5 C6 C7 18(3) 19_667 . . . ?
C4 C5 C6 C10 -153(2) 22_665 . . 4_557 ?
C4 C5 C6 C10 18(3) . . . 4_557 ?
C11' C5 C6 C10 112(2) 19_667 . . 4_557 ?
C11 C5 C6 C10 95(4) 4_557 . . 4_557 ?
C11 C5 C6 C10 130(4) 19_667 . . 4_557 ?
C4 C5 C6 C10 -18(3) 22_665 . . 19_667 ?
C4 C5 C6 C10 153(2) . . . 19_667 ?
C11' C5 C6 C10 -112(2) 19_667 . . 19_667 ?
C11 C5 C6 C10 -130(4) 4_557 . . 19_667 ?
C11 C5 C6 C10 -95(4) 19_667 . . 19_667 ?
C4 C5 C6 C12' 71.8(12) 22_665 . . 4_557 ?
C4 C5 C6 C12' -117.6(11) . . . 4_557 ?
C11' C5 C6 C12' -22.9(8) 19_667 . . 4_557 ?
C11 C5 C6 C12' -40(3) 4_557 . . 4_557 ?
C11 C5 C6 C12' -5(3) 19_667 . . 4_557 ?
C4 C5 C6 C12 71.8(12) 22_665 . . 4_557 ?
C4 C5 C6 C12 -117.6(11) . . . 4_557 ?
C11' C5 C6 C12 -22.9(8) 19_667 . . 4_557 ?
C11 C5 C6 C12 -40(3) 4_557 . . 4_557 ?
C11 C5 C6 C12 -5(3) 19_667 . . 4_557 ?
C4 C5 C6 C12 117.6(11) 22_665 . . 19_667 ?
C4 C5 C6 C12 -71.8(12) . . . 19_667 ?
C11' C5 C6 C12 22.9(8) 19_667 . . 19_667 ?
C11 C5 C6 C12 5(3) 4_557 . . 19_667 ?
C11 C5 C6 C12 40(3) 19_667 . . 19_667 ?
C4 C5 C6 C12' 117.6(11) 22_665 . . 19_667 ?
C4 C5 C6 C12' -71.8(12) . . . 19_667 ?
C11' C5 C6 C12' 22.9(8) 19_667 . . 19_667 ?
C11 C5 C6 C12' 5(3) 4_557 . . 19_667 ?
C11 C5 C6 C12' 40(3) 19_667 . . 19_667 ?
C11' C6 C7 C10' 180.000(18) 19_667 . . 19_667 ?
C11 C6 C7 C10' 162(3) 4_557 . . 19_667 ?
C11 C6 C7 C10' -162(3) 19_667 . . 19_667 ?
C10 C6 C7 C10' 65(2) 4_557 . . 19_667 ?
C10 C6 C7 C10' -65(2) 19_667 . . 19_667 ?
C5 C6 C7 C10' 180.0(6) . . . 19_667 ?
C12' C6 C7 C10' -156.4(8) 4_557 . . 19_667 ?
C12 C6 C7 C10' -156.4(8) 4_557 . . 19_667 ?
C12 C6 C7 C10' 156.4(8) 19_667 . . 19_667 ?
C12' C6 C7 C10' 156.4(8) 19_667 . . 19_667 ?
C11' C6 C7 C10 115(2) 19_667 . . 4_557 ?
C11 C6 C7 C10 97(4) 4_557 . . 4_557 ?
C11 C6 C7 C10 132(4) 19_667 . . 4_557 ?
C10' C6 C7 C10 -65(2) 19_667 . . 4_557 ?
C10 C6 C7 C10 -130(4) 19_667 . . 4_557 ?
C5 C6 C7 C10 115(2) . . . 4_557 ?
C12' C6 C7 C10 138(2) 4_557 . . 4_557 ?
C12 C6 C7 C10 138(2) 4_557 . . 4_557 ?
C12 C6 C7 C10 91(2) 19_667 . . 4_557 ?
C12' C6 C7 C10 91(2) 19_667 . . 4_557 ?
C11' C6 C7 C10 -115(2) 19_667 . . 19_667 ?
C11 C6 C7 C10 -132(4) 4_557 . . 19_667 ?
C11 C6 C7 C10 -97(4) 19_667 . . 19_667 ?
C10' C6 C7 C10 65(2) 19_667 . . 19_667 ?
C10 C6 C7 C10 130(4) 4_557 . . 19_667 ?
C5 C6 C7 C10 -115(2) . . . 19_667 ?
C12' C6 C7 C10 -91(2) 4_557 . . 19_667 ?
C12 C6 C7 C10 -91(2) 4_557 . . 19_667 ?
C12 C6 C7 C10 -138(2) 19_667 . . 19_667 ?
C12' C6 C7 C10 -138(2) 19_667 . . 19_667 ?
C11 C6 C7 C11' -18(3) 4_557 . . 19_667 ?
C11 C6 C7 C11' 18(3) 19_667 . . 19_667 ?
C10' C6 C7 C11' 180.00(3) 19_667 . . 19_667 ?
C10 C6 C7 C11' -115(2) 4_557 . . 19_667 ?
C10 C6 C7 C11' 115(2) 19_667 . . 19_667 ?
C5 C6 C7 C11' 0.0(3) . . . 19_667 ?
C12' C6 C7 C11' 23.6(9) 4_557 . . 19_667 ?
C12 C6 C7 C11' 23.6(9) 4_557 . . 19_667 ?
C12 C6 C7 C11' -23.6(9) 19_667 . . 19_667 ?
C12' C6 C7 C11' -23.6(9) 19_667 . . 19_667 ?
C11' C6 C7 C11 -18(3) 19_667 . . 19_667 ?
C11 C6 C7 C11 -35(6) 4_557 . . 19_667 ?
C10' C6 C7 C11 162(3) 19_667 . . 19_667 ?
C10 C6 C7 C11 -132(4) 4_557 . . 19_667 ?
C10 C6 C7 C11 97(4) 19_667 . . 19_667 ?
C5 C6 C7 C11 -18(3) . . . 19_667 ?
C12' C6 C7 C11 6(4) 4_557 . . 19_667 ?
C12 C6 C7 C11 6(4) 4_557 . . 19_667 ?
C12 C6 C7 C11 -41(3) 19_667 . . 19_667 ?
C12' C6 C7 C11 -41(3) 19_667 . . 19_667 ?
C11' C6 C7 C11 18(3) 19_667 . . 4_557 ?
C11 C6 C7 C11 35(6) 19_667 . . 4_557 ?
C10' C6 C7 C11 -162(3) 19_667 . . 4_557 ?
C10 C6 C7 C11 -97(4) 4_557 . . 4_557 ?
C10 C6 C7 C11 132(4) 19_667 . . 4_557 ?
C5 C6 C7 C11 18(3) . . . 4_557 ?
C12' C6 C7 C11 41(3) 4_557 . . 4_557 ?
C12 C6 C7 C11 41(3) 4_557 . . 4_557 ?
C12 C6 C7 C11 -6(4) 19_667 . . 4_557 ?
C12' C6 C7 C11 -6(4) 19_667 . . 4_557 ?
C11' C6 C7 C9' 180.000(16) 19_667 . . 19_667 ?
C11 C6 C7 C9' 162(3) 4_557 . . 19_667 ?
C11 C6 C7 C9' -162(3) 19_667 . . 19_667 ?
C10' C6 C7 C9' 0.000(13) 19_667 . . 19_667 ?
C10 C6 C7 C9' 65(2) 4_557 . . 19_667 ?
C10 C6 C7 C9' -65(2) 19_667 . . 19_667 ?
C5 C6 C7 C9' 180.0(6) . . . 19_667 ?
C12' C6 C7 C9' -156.4(8) 4_557 . . 19_667 ?
C12 C6 C7 C9' -156.4(8) 4_557 . . 19_667 ?
C12 C6 C7 C9' 156.4(8) 19_667 . . 19_667 ?
C12' C6 C7 C9' 156.4(8) 19_667 . . 19_667 ?
C11' C6 C7 C9 123(3) 19_667 . . 4_557 ?
C11 C6 C7 C9 105(4) 4_557 . . 4_557 ?
C11 C6 C7 C9 141(4) 19_667 . . 4_557 ?
C10' C6 C7 C9 -57(3) 19_667 . . 4_557 ?
C10 C6 C7 C9 8(3) 4_557 . . 4_557 ?
C10 C6 C7 C9 -122(4) 19_667 . . 4_557 ?
C5 C6 C7 C9 123(3) . . . 4_557 ?
C12' C6 C7 C9 147(3) 4_557 . . 4_557 ?
C12 C6 C7 C9 147(3) 4_557 . . 4_557 ?
C12 C6 C7 C9 99(3) 19_667 . . 4_557 ?
C12' C6 C7 C9 99(3) 19_667 . . 4_557 ?
C11' C6 C7 C9 -123(3) 19_667 . . 19_667 ?
C11 C6 C7 C9 -141(4) 4_557 . . 19_667 ?
C11 C6 C7 C9 -105(4) 19_667 . . 19_667 ?
C10' C6 C7 C9 57(3) 19_667 . . 19_667 ?
C10 C6 C7 C9 122(4) 4_557 . . 19_667 ?
C10 C6 C7 C9 -8(3) 19_667 . . 19_667 ?
C5 C6 C7 C9 -123(3) . . . 19_667 ?
C12' C6 C7 C9 -99(3) 4_557 . . 19_667 ?
C12 C6 C7 C9 -99(3) 4_557 . . 19_667 ?
C12 C6 C7 C9 -147(3) 19_667 . . 19_667 ?
C12' C6 C7 C9 -147(3) 19_667 . . 19_667 ?
C11' C6 C7 C8 90(11) 19_667 . . 19_667 ?
C11 C6 C7 C8 72(11) 4_557 . . 19_667 ?
C11 C6 C7 C8 108(11) 19_667 . . 19_667 ?
C10' C6 C7 C8 -90(11) 19_667 . . 19_667 ?
C10 C6 C7 C8 -25(10) 4_557 . . 19_667 ?
C10 C6 C7 C8 -155(12) 19_667 . . 19_667 ?
C5 C6 C7 C8 90(11) . . . 19_667 ?
C12' C6 C7 C8 114(11) 4_557 . . 19_667 ?
C12 C6 C7 C8 114(11) 4_557 . . 19_667 ?
C12 C6 C7 C8 67(11) 19_667 . . 19_667 ?
C12' C6 C7 C8 67(11) 19_667 . . 19_667 ?
C11' C6 C7 C8' 90(11) 19_667 . . 19_667 ?
C11 C6 C7 C8' 72(11) 4_557 . . 19_667 ?
C11 C6 C7 C8' 108(11) 19_667 . . 19_667 ?
C10' C6 C7 C8' -90(11) 19_667 . . 19_667 ?
C10 C6 C7 C8' -25(10) 4_557 . . 19_667 ?
C10 C6 C7 C8' -155(12) 19_667 . . 19_667 ?
C5 C6 C7 C8' 90(11) . . . 19_667 ?
C12' C6 C7 C8' 114(11) 4_557 . . 19_667 ?
C12 C6 C7 C8' 114(11) 4_557 . . 19_667 ?
C12 C6 C7 C8' 67(11) 19_667 . . 19_667 ?
C12' C6 C7 C8' 67(11) 19_667 . . 19_667 ?
C10' C7 C8 C8 -95.9(7) 19_667 . . 19_667 ?
C10 C7 C8 C8 -27(3) 4_557 . . 19_667 ?
C10 C7 C8 C8 -157(2) 19_667 . . 19_667 ?
C6 C7 C8 C8 -180(100) . . . 19_667 ?
C11' C7 C8 C8 108(2) 19_667 . . 19_667 ?
C11 C7 C8 C8 119(3) 19_667 . . 19_667 ?
C11 C7 C8 C8 86(4) 4_557 . . 19_667 ?
C9' C7 C8 C8 -84.5(6) 19_667 . . 19_667 ?
C9 C7 C8 C8 -30(2) 4_557 . . 19_667 ?
C9 C7 C8 C8 -143(3) 19_667 . . 19_667 ?
C8' C7 C8 C8 0.000(8) 19_667 . . 19_667 ?
C10' C7 C8 C9 47(3) 19_667 . . 19_667 ?
C10 C7 C8 C9 116(4) 4_557 . . 19_667 ?
C10 C7 C8 C9 -14(3) 19_667 . . 19_667 ?
C6 C7 C8 C9 -37(11) . . . 19_667 ?
C11' C7 C8 C9 -109(3) 19_667 . . 19_667 ?
C11 C7 C8 C9 -98(3) 19_667 . . 19_667 ?
C11 C7 C8 C9 -131(5) 4_557 . . 19_667 ?
C9' C7 C8 C9 58(2) 19_667 . . 19_667 ?
C9 C7 C8 C9 113(5) 4_557 . . 19_667 ?
C8 C7 C8 C9 143(3) 19_667 . . 19_667 ?
C8' C7 C8 C9 143(3) 19_667 . . 19_667 ?
C10' C7 C8 C9 129(3) 19_667 . . 22_665 ?
C10 C7 C8 C9 -162(4) 4_557 . . 22_665 ?
C10 C7 C8 C9 68(5) 19_667 . . 22_665 ?
C6 C7 C8 C9 45(12) . . . 22_665 ?
C11' C7 C8 C9 -27(5) 19_667 . . 22_665 ?
C11 C7 C8 C9 -16(5) 19_667 . . 22_665 ?
C11 C7 C8 C9 -49(6) 4_557 . . 22_665 ?
C9' C7 C8 C9 140(4) 19_667 . . 22_665 ?
C9 C7 C8 C9 -165(2) 4_557 . . 22_665 ?
C9 C7 C8 C9 82(6) 19_667 . . 22_665 ?
C8 C7 C8 C9 -135(4) 19_667 . . 22_665 ?
C8' C7 C8 C9 -135(4) 19_667 . . 22_665 ?
C10' C7 C8 C9 -66(2) 19_667 . . 4_557 ?
C10 C7 C8 C9 3(3) 4_557 . . 4_557 ?
C10 C7 C8 C9 -127(3) 19_667 . . 4_557 ?
C6 C7 C8 C9 -150(12) . . . 4_557 ?
C11' C7 C8 C9 138(3) 19_667 . . 4_557 ?
C11 C7 C8 C9 149(4) 19_667 . . 4_557 ?
C11 C7 C8 C9 116(5) 4_557 . . 4_557 ?
C9' C7 C8 C9 -55(2) 19_667 . . 4_557 ?
C9 C7 C8 C9 -113(5) 19_667 . . 4_557 ?
C8 C7 C8 C9 30(2) 19_667 . . 4_557 ?
C8' C7 C8 C9 30(2) 19_667 . . 4_557 ?
C10' C7 C8 C9 -121.8(17) 19_667 . . . ?
C10 C7 C8 C9 -53(4) 4_557 . . . ?
C10 C7 C8 C9 177(3) 19_667 . . . ?
C6 C7 C8 C9 154(10) . . . . ?
C11' C7 C8 C9 82(3) 19_667 . . . ?
C11 C7 C8 C9 93(3) 19_667 . . . ?
C11 C7 C8 C9 60(5) 4_557 . . . ?
C9' C7 C8 C9 -110.4(19) 19_667 . . . ?
C9 C7 C8 C9 -56(4) 4_557 . . . ?
C9 C7 C8 C9 -168.9(14) 19_667 . . . ?
C8 C7 C8 C9 -25.9(17) 19_667 . . . ?
C8' C7 C8 C9 -25.9(17) 19_667 . . . ?
C10' C7 C8 C13 152.3(10) 19_667 . . 4_557 ?
C10 C7 C8 C13 -139(3) 4_557 . . 4_557 ?
C10 C7 C8 C13 92(3) 19_667 . . 4_557 ?
C6 C7 C8 C13 68(11) . . . 4_557 ?
C11' C7 C8 C13 -4(3) 19_667 . . 4_557 ?
C11 C7 C8 C13 7(3) 19_667 . . 4_557 ?
C11 C7 C8 C13 -26(4) 4_557 . . 4_557 ?
C9' C7 C8 C13 163.7(14) 19_667 . . 4_557 ?
C9 C7 C8 C13 -142(2) 4_557 . . 4_557 ?
C9 C7 C8 C13 105(3) 19_667 . . 4_557 ?
C8 C7 C8 C13 -111.8(11) 19_667 . . 4_557 ?
C8' C7 C8 C13 -111.8(11) 19_667 . . 4_557 ?
C10' C7 C8 C13 10(2) 19_667 . . . ?
C10 C7 C8 C13 80(3) 4_557 . . . ?
C10 C7 C8 C13 -50(3) 19_667 . . . ?
C6 C7 C8 C13 -74(11) . . . . ?
C11' C7 C8 C13 -145.8(19) 19_667 . . . ?
C11 C7 C8 C13 -134(3) 19_667 . . . ?
C11 C7 C8 C13 -168(4) 4_557 . . . ?
C9' C7 C8 C13 21.8(11) 19_667 . . . ?
C9 C7 C8 C13 76(2) 4_557 . . . ?
C9 C7 C8 C13 -37(3) 19_667 . . . ?
C8 C7 C8 C13 106.3(15) 19_667 . . . ?
C8' C7 C8 C13 106.3(15) 19_667 . . . ?
C10' C7 C8 C7 -95.9(7) 19_667 . . 19_667 ?
C10 C7 C8 C7 -27(3) 4_557 . . 19_667 ?
C10 C7 C8 C7 -157(2) 19_667 . . 19_667 ?
C6 C7 C8 C7 -180(100) . . . 19_667 ?
C11' C7 C8 C7 108(2) 19_667 . . 19_667 ?
C11 C7 C8 C7 119(3) 19_667 . . 19_667 ?
C11 C7 C8 C7 86(4) 4_557 . . 19_667 ?
C9' C7 C8 C7 -84.5(6) 19_667 . . 19_667 ?
C9 C7 C8 C7 -30(2) 4_557 . . 19_667 ?
C9 C7 C8 C7 -143(3) 19_667 . . 19_667 ?
C8 C7 C8 C7 0.000(2) 19_667 . . 19_667 ?
C8' C7 C8 C7 0.000(2) 19_667 . . 19_667 ?
C10' C7 C8 C13 -154.1(10) 19_667 . . 19_667 ?
C10 C7 C8 C13 -85(3) 4_557 . . 19_667 ?
C10 C7 C8 C13 145(3) 19_667 . . 19_667 ?
C6 C7 C8 C13 122(11) . . . 19_667 ?
C11' C7 C8 C13 50(3) 19_667 . . 19_667 ?
C11 C7 C8 C13 61(3) 19_667 . . 19_667 ?
C11 C7 C8 C13 28(4) 4_557 . . 19_667 ?
C9' C7 C8 C13 -142.7(13) 19_667 . . 19_667 ?
C9 C7 C8 C13 -88(2) 4_557 . . 19_667 ?
C9 C7 C8 C13 159(3) 19_667 . . 19_667 ?
C8 C7 C8 C13 -58.1(9) 19_667 . . 19_667 ?
C8' C7 C8 C13 -58.1(9) 19_667 . . 19_667 ?
C10' C7 C8 C13 -42.0(15) 19_667 . . 22_665 ?
C10 C7 C8 C13 27(3) 4_557 . . 22_665 ?
C10 C7 C8 C13 -103(2) 19_667 . . 22_665 ?
C6 C7 C8 C13 -126(11) . . . 22_665 ?
C11' C7 C8 C13 161.8(18) 19_667 . . 22_665 ?
C11 C7 C8 C13 173(3) 19_667 . . 22_665 ?
C11 C7 C8 C13 140(4) 4_557 . . 22_665 ?
C9' C7 C8 C13 -30.6(9) 19_667 . . 22_665 ?
C9 C7 C8 C13 24(2) 4_557 . . 22_665 ?
C9 C7 C8 C13 -89(2) 19_667 . . 22_665 ?
C8 C7 C8 C13 53.9(11) 19_667 . . 22_665 ?
C8' C7 C8 C13 53.9(11) 19_667 . . 22_665 ?
C9 C8 C9 C8 0.00(8) 19_667 . . 19_667 ?
C9 C8 C9 C8 180.00(4) 22_665 . . 19_667 ?
C9 C8 C9 C8 0.00(4) 4_557 . . 19_667 ?
C13 C8 C9 C8 115.3(13) 4_557 . . 19_667 ?
C13 C8 C9 C8 -87.6(17) . . . 19_667 ?
C7 C8 C9 C8 -128(2) 19_667 . . 19_667 ?
C7 C8 C9 C8 43(2) . . . 19_667 ?
C13 C8 C9 C8 80.8(15) 19_667 . . 19_667 ?
C13 C8 C9 C8 -55.9(14) 22_665 . . 19_667 ?
C8 C8 C9 C13 -80.8(15) 19_667 . . 19_667 ?
C9 C8 C9 C13 -80.8(15) 19_667 . . 19_667 ?
C9 C8 C9 C13 99.2(15) 22_665 . . 19_667 ?
C9 C8 C9 C13 -80.8(15) 4_557 . . 19_667 ?
C13 C8 C9 C13 34.5(18) 4_557 . . 19_667 ?
C13 C8 C9 C13 -168.4(11) . . . 19_667 ?
C7 C8 C9 C13 151(3) 19_667 . . 19_667 ?
C7 C8 C9 C13 -37(2) . . . 19_667 ?
C13 C8 C9 C13 -137(2) 22_665 . . 19_667 ?
C8 C8 C9 C7 128(2) 19_667 . . 19_667 ?
C9 C8 C9 C7 128(2) 19_667 . . 19_667 ?
C9 C8 C9 C7 -52(2) 22_665 . . 19_667 ?
C9 C8 C9 C7 128(2) 4_557 . . 19_667 ?
C13 C8 C9 C7 -116.3(17) 4_557 . . 19_667 ?
C13 C8 C9 C7 41(2) . . . 19_667 ?
C7 C8 C9 C7 171.8(9) . . . 19_667 ?
C13 C8 C9 C7 -151(3) 19_667 . . 19_667 ?
C13 C8 C9 C7 72.5(14) 22_665 . . 19_667 ?
C8 C8 C9 C10 126(4) 19_667 . . . ?
C9 C8 C9 C10 126(4) 19_667 . . . ?
C9 C8 C9 C10 -54(4) 22_665 . . . ?
C9 C8 C9 C10 126(4) 4_557 . . . ?
C13 C8 C9 C10 -119(3) 4_557 . . . ?
C13 C8 C9 C10 38(4) . . . . ?
C7 C8 C9 C10 -2(2) 19_667 . . . ?
C7 C8 C9 C10 169(3) . . . . ?
C13 C8 C9 C10 -153(4) 19_667 . . . ?
C13 C8 C9 C10 70(3) 22_665 . . . ?
C8 C8 C9 C17 -94(3) 19_667 . . 19_667 ?
C9 C8 C9 C17 -94(3) 19_667 . . 19_667 ?
C9 C8 C9 C17 86(3) 22_665 . . 19_667 ?
C9 C8 C9 C17 -94(3) 4_557 . . 19_667 ?
C13 C8 C9 C17 22(3) 4_557 . . 19_667 ?
C13 C8 C9 C17 179(3) . . . 19_667 ?
C7 C8 C9 C17 138(4) 19_667 . . 19_667 ?
C7 C8 C9 C17 -50(4) . . . 19_667 ?
C13 C8 C9 C17 -13(2) 19_667 . . 19_667 ?
C13 C8 C9 C17 -150(3) 22_665 . . 19_667 ?
C8 C8 C9 C9 180.00(3) 19_667 . . 22_665 ?
C9 C8 C9 C9 180.00(9) 19_667 . . 22_665 ?
C9 C8 C9 C9 180.000(3) 4_557 . . 22_665 ?
C13 C8 C9 C9 -64.7(13) 4_557 . . 22_665 ?
C13 C8 C9 C9 92.4(17) . . . 22_665 ?
C7 C8 C9 C9 52(2) 19_667 . . 22_665 ?
C7 C8 C9 C9 -136.6(19) . . . 22_665 ?
C13 C8 C9 C9 -99.2(15) 19_667 . . 22_665 ?
C13 C8 C9 C9 124.1(14) 22_665 . . 22_665 ?
C8 C8 C9 C9 0.00(3) 19_667 . . 4_557 ?
C9 C8 C9 C9 0.00(10) 19_667 . . 4_557 ?
C9 C8 C9 C9 180.000(4) 22_665 . . 4_557 ?
C13 C8 C9 C9 115.3(13) 4_557 . . 4_557 ?
C13 C8 C9 C9 -87.6(17) . . . 4_557 ?
C7 C8 C9 C9 -128(2) 19_667 . . 4_557 ?
C7 C8 C9 C9 43(2) . . . 4_557 ?
C13 C8 C9 C9 80.8(15) 19_667 . . 4_557 ?
C13 C8 C9 C9 -55.9(14) 22_665 . . 4_557 ?
C8 C8 C9 C13 -115.3(13) 19_667 . . 4_557 ?
C9 C8 C9 C13 -115.3(13) 19_667 . . 4_557 ?
C9 C8 C9 C13 64.7(13) 22_665 . . 4_557 ?
C9 C8 C9 C13 -115.3(13) 4_557 . . 4_557 ?
C13 C8 C9 C13 157.1(18) . . . 4_557 ?
C7 C8 C9 C13 116.3(17) 19_667 . . 4_557 ?
C7 C8 C9 C13 -71.9(11) . . . 4_557 ?
C13 C8 C9 C13 -34.5(18) 19_667 . . 4_557 ?
C13 C8 C9 C13 -171.2(8) 22_665 . . 4_557 ?
C8 C8 C9 C13 55.9(14) 19_667 . . 22_665 ?
C9 C8 C9 C13 55.9(15) 19_667 . . 22_665 ?
C9 C8 C9 C13 -124.1(14) 22_665 . . 22_665 ?
C9 C8 C9 C13 55.9(14) 4_557 . . 22_665 ?
C13 C8 C9 C13 171.2(8) 4_557 . . 22_665 ?
C13 C8 C9 C13 -31.7(16) . . . 22_665 ?
C7 C8 C9 C13 -72.5(14) 19_667 . . 22_665 ?
C7 C8 C9 C13 99.3(12) . . . 22_665 ?
C13 C8 C9 C13 137(2) 19_667 . . 22_665 ?
C8 C9 C10 C7 16(4) 19_667 . . 19_667 ?
C13 C9 C10 C7 -98(6) 19_667 . . 19_667 ?
C8 C9 C10 C7 3(3) . . . 19_667 ?
C17 C9 C10 C7 -141(4) 19_667 . . 19_667 ?
C9 C9 C10 C7 -28(2) 22_665 . . 19_667 ?
C9 C9 C10 C7 63(3) 4_557 . . 19_667 ?
C13 C9 C10 C7 -48(2) 4_557 . . 19_667 ?
C13 C9 C10 C7 55.3(19) 22_665 . . 19_667 ?
C8 C9 C10 C6 24(6) 19_667 . . 19_667 ?
C13 C9 C10 C6 -91(5) 19_667 . . 19_667 ?
C7 C9 C10 C6 7(3) 19_667 . . 19_667 ?
C8 C9 C10 C6 10(5) . . . 19_667 ?
C17 C9 C10 C6 -134(3) 19_667 . . 19_667 ?
C9 C9 C10 C6 -20(3) 22_665 . . 19_667 ?
C9 C9 C10 C6 71(5) 4_557 . . 19_667 ?
C13 C9 C10 C6 -41(4) 4_557 . . 19_667 ?
C13 C9 C10 C6 63(4) 22_665 . . 19_667 ?
C8 C9 C10 C11 -9(6) 19_667 . . . ?
C13 C9 C10 C11 -124(5) 19_667 . . . ?
C7 C9 C10 C11 -26(3) 19_667 . . . ?
C8 C9 C10 C11 -23(5) . . . . ?
C17 C9 C10 C11 -167(4) 19_667 . . . ?
C9 C9 C10 C11 -53(4) 22_665 . . . ?
C9 C9 C10 C11 38(5) 4_557 . . . ?
C13 C9 C10 C11 -74(4) 4_557 . . . ?
C13 C9 C10 C11 30(4) 22_665 . . . ?
C8 C9 C10 C11 3(6) 19_667 . . 22_665 ?
C13 C9 C10 C11 -111(5) 19_667 . . 22_665 ?
C7 C9 C10 C11 -13(2) 19_667 . . 22_665 ?
C8 C9 C10 C11 -10(4) . . . 22_665 ?
C17 C9 C10 C11 -155(3) 19_667 . . 22_665 ?
C9 C9 C10 C11 -41(2) 22_665 . . 22_665 ?
C9 C9 C10 C11 50(4) 4_557 . . 22_665 ?
C13 C9 C10 C11 -62(4) 4_557 . . 22_665 ?
C13 C9 C10 C11 42(3) 22_665 . . 22_665 ?
C8 C9 C10 C10 44(4) 19_667 . . 22_665 ?
C13 C9 C10 C10 -70(5) 19_667 . . 22_665 ?
C7 C9 C10 C10 28(2) 19_667 . . 22_665 ?
C8 C9 C10 C10 31(3) . . . 22_665 ?
C17 C9 C10 C10 -114(3) 19_667 . . 22_665 ?
C9 C9 C10 C10 0.000(3) 22_665 . . 22_665 ?
C9 C9 C10 C10 91.0(16) 4_557 . . 22_665 ?
C13 C9 C10 C10 -20.7(17) 4_557 . . 22_665 ?
C13 C9 C10 C10 83.0(13) 22_665 . . 22_665 ?
C8 C9 C10 C12 -37(4) 19_667 . . 22_665 ?
C13 C9 C10 C12 -152(5) 19_667 . . 22_665 ?
C7 C9 C10 C12 -53.7(17) 19_667 . . 22_665 ?
C8 C9 C10 C12 -51(3) . . . 22_665 ?
C17 C9 C10 C12 165(3) 19_667 . . 22_665 ?
C9 C9 C10 C12 -81.4(13) 22_665 . . 22_665 ?
C9 C9 C10 C12 10(3) 4_557 . . 22_665 ?
C13 C9 C10 C12 -102(2) 4_557 . . 22_665 ?
C13 C9 C10 C12 1.6(17) 22_665 . . 22_665 ?
C7 C10 C11 C11 42(2) 19_667 . . 22_665 ?
C6 C10 C11 C11 -42(2) 19_667 . . 22_665 ?
C9 C10 C11 C11 68(4) . . . 22_665 ?
C10 C10 C11 C11 0.00(10) 22_665 . . 22_665 ?
C12 C10 C11 C11 116.1(18) 22_665 . . 22_665 ?
C7 C10 C11 C6 84(3) 19_667 . . 19_667 ?
C9 C10 C11 C6 110(4) . . . 19_667 ?
C11 C10 C11 C6 42(3) 22_665 . . 19_667 ?
C10 C10 C11 C6 42(2) 22_665 . . 19_667 ?
C12 C10 C11 C6 158(4) 22_665 . . 19_667 ?
C7 C10 C11 C12 -74(2) 19_667 . . 22_665 ?
C6 C10 C11 C12 -158(4) 19_667 . . 22_665 ?
C9 C10 C11 C12 -48(4) . . . 22_665 ?
C11 C10 C11 C12 -116.1(19) 22_665 . . 22_665 ?
C10 C10 C11 C12 -116.1(19) 22_665 . . 22_665 ?
C6 C10 C11 C7 -84(3) 19_667 . . 19_667 ?
C9 C10 C11 C7 27(3) . . . 19_667 ?
C11 C10 C11 C7 -42(2) 22_665 . . 19_667 ?
C10 C10 C11 C7 -42(2) 22_665 . . 19_667 ?
C12 C10 C11 C7 74(2) 22_665 . . 19_667 ?
C7 C10 C11 C12 -21(4) 19_667 . . . ?
C6 C10 C11 C12 -105(5) 19_667 . . . ?
C9 C10 C11 C12 6(6) . . . . ?
C11 C10 C11 C12 -63(3) 22_665 . . . ?
C10 C10 C11 C12 -63(3) 22_665 . . . ?
C12 C10 C11 C12 53(3) 22_665 . . . ?
C7 C10 C11 C10 42(2) 19_667 . . 22_665 ?
C6 C10 C11 C10 -42(3) 19_667 . . 22_665 ?
C9 C10 C11 C10 68(4) . . . 22_665 ?
C11 C10 C11 C10 0.00(10) 22_665 . . 22_665 ?
C12 C10 C11 C10 116(2) 22_665 . . 22_665 ?
C7 C10 C11 C5 132(4) 19_667 . . 19_667 ?
C6 C10 C11 C5 47.9(19) 19_667 . . 19_667 ?
C9 C10 C11 C5 158(3) . . . 19_667 ?
C11 C10 C11 C5 90(3) 22_665 . . 19_667 ?
C10 C10 C11 C5 90(3) 22_665 . . 19_667 ?
C12 C10 C11 C5 -154(4) 22_665 . . 19_667 ?
C6 C11 C12 C11 39(4) 19_667 . . 22_665 ?
C12 C11 C12 C11 180.00(5) 22_665 . . 22_665 ?
C7 C11 C12 C11 91.5(16) 19_667 . . 22_665 ?
C10 C11 C12 C11 108(4) . . . 22_665 ?
C10 C11 C12 C11 46.8(13) 22_665 . . 22_665 ?
C5 C11 C12 C11 -37(4) 19_667 . . 22_665 ?
C11 C11 C12 C12 180.00(7) 22_665 . . 22_665 ?
C6 C11 C12 C12 -141(4) 19_667 . . 22_665 ?
C7 C11 C12 C12 -88.5(17) 19_667 . . 22_665 ?
C10 C11 C12 C12 -72(4) . . . 22_665 ?
C10 C11 C12 C12 -133.2(13) 22_665 . . 22_665 ?
C5 C11 C12 C12 143(4) 19_667 . . 22_665 ?
C11 C11 C12 C14 72(2) 22_665 . . . ?
C6 C11 C12 C14 111(4) 19_667 . . . ?
C12 C11 C12 C14 -108(2) 22_665 . . . ?
C7 C11 C12 C14 163(3) 19_667 . . . ?
C10 C11 C12 C14 180(3) . . . . ?
C10 C11 C12 C14 119(3) 22_665 . . . ?
C5 C11 C12 C14 35(6) 19_667 . . . ?
C11 C11 C12 C13 -113(3) 22_665 . . . ?
C6 C11 C12 C13 -74(5) 19_667 . . . ?
C12 C11 C12 C13 67(3) 22_665 . . . ?
C7 C11 C12 C13 -22(3) 19_667 . . . ?
C10 C11 C12 C13 -5(6) . . . . ?
C10 C11 C12 C13 -66(3) 22_665 . . . ?
C5 C11 C12 C13 -150(3) 19_667 . . . ?
C11 C11 C12 C7 -91.5(17) 22_665 . . 19_667 ?
C6 C11 C12 C7 -52(3) 19_667 . . 19_667 ?
C12 C11 C12 C7 88.5(16) 22_665 . . 19_667 ?
C10 C11 C12 C7 16(3) . . . 19_667 ?
C10 C11 C12 C7 -44.7(14) 22_665 . . 19_667 ?
C5 C11 C12 C7 -128(5) 19_667 . . 19_667 ?
C11 C11 C12 C6 -39(4) 22_665 . . 19_667 ?
C12 C11 C12 C6 141(4) 22_665 . . 19_667 ?
C7 C11 C12 C6 52(3) 19_667 . . 19_667 ?
C10 C11 C12 C6 69(4) . . . 19_667 ?
C10 C11 C12 C6 8(3) 22_665 . . 19_667 ?
C5 C11 C12 C6 -76(6) 19_667 . . 19_667 ?
C11 C11 C12 C13 -143.7(11) 22_665 . . 22_665 ?
C6 C11 C12 C13 -105(3) 19_667 . . 22_665 ?
C12 C11 C12 C13 36.3(11) 22_665 . . 22_665 ?
C7 C11 C12 C13 -52.2(17) 19_667 . . 22_665 ?
C10 C11 C12 C13 -36(4) . . . 22_665 ?
C10 C11 C12 C13 -97.0(11) 22_665 . . 22_665 ?
C5 C11 C12 C13 180(4) 19_667 . . 22_665 ?
C11 C11 C12 C10 -46.8(13) 22_665 . . 22_665 ?
C6 C11 C12 C10 -8(3) 19_667 . . 22_665 ?
C12 C11 C12 C10 133.2(13) 22_665 . . 22_665 ?
C7 C11 C12 C10 44.7(14) 19_667 . . 22_665 ?
C10 C11 C12 C10 61(4) . . . 22_665 ?
C5 C11 C12 C10 -84(4) 19_667 . . 22_665 ?
C11 C12 C13 C13 -65(3) 22_665 . . 22_665 ?
C12 C12 C13 C13 0.000(3) 22_665 . . 22_665 ?
C14 C12 C13 C13 127(2) . . . 22_665 ?
C11 C12 C13 C13 -48(3) . . . 22_665 ?
C7 C12 C13 C13 -65.3(7) 19_667 . . 22_665 ?
C6 C12 C13 C13 -68.0(12) 19_667 . . 22_665 ?
C10 C12 C13 C13 -98.5(12) 22_665 . . 22_665 ?
C11 C12 C13 C9 44(6) 22_665 . . 19_667 ?
C12 C12 C13 C9 110(5) 22_665 . . 19_667 ?
C14 C12 C13 C9 -123(5) . . . 19_667 ?
C11 C12 C13 C9 62(6) . . . 19_667 ?
C7 C12 C13 C9 44(5) 19_667 . . 19_667 ?
C6 C12 C13 C9 41(5) 19_667 . . 19_667 ?
C13 C12 C13 C9 110(5) 22_665 . . 19_667 ?
C10 C12 C13 C9 11(5) 22_665 . . 19_667 ?
C11 C12 C13 C17 162(4) 22_665 . . . ?
C12 C12 C13 C17 -133(3) 22_665 . . . ?
C14 C12 C13 C17 -6(4) . . . . ?
C11 C12 C13 C17 179(3) . . . . ?
C7 C12 C13 C17 162(3) 19_667 . . . ?
C6 C12 C13 C17 159(3) 19_667 . . . ?
C13 C12 C13 C17 -133(3) 22_665 . . . ?
C10 C12 C13 C17 128(3) 22_665 . . . ?
C11 C12 C13 C8 4(4) 22_665 . . . ?
C12 C12 C13 C8 69.2(17) 22_665 . . . ?
C14 C12 C13 C8 -164(2) . . . . ?
C11 C12 C13 C8 21(4) . . . . ?
C7 C12 C13 C8 4.0(18) 19_667 . . . ?
C6 C12 C13 C8 1(3) 19_667 . . . ?
C13 C12 C13 C8 69.2(17) 22_665 . . . ?
C10 C12 C13 C8 -29(2) 22_665 . . . ?
C11 C12 C13 C8 -11(4) 22_665 . . 19_667 ?
C12 C12 C13 C8 53.9(15) 22_665 . . 19_667 ?
C14 C12 C13 C8 -179(2) . . . 19_667 ?
C11 C12 C13 C8 6(4) . . . 19_667 ?
C7 C12 C13 C8 -11.4(15) 19_667 . . 19_667 ?
C6 C12 C13 C8 -14(2) 19_667 . . 19_667 ?
C13 C12 C13 C8 53.9(15) 22_665 . . 19_667 ?
C10 C12 C13 C8 -44.6(19) 22_665 . . 19_667 ?
C11 C12 C13 C7 0(3) 22_665 . . 19_667 ?
C12 C12 C13 C7 65.3(7) 22_665 . . 19_667 ?
C14 C12 C13 C7 -168(3) . . . 19_667 ?
C11 C12 C13 C7 17(3) . . . 19_667 ?
C6 C12 C13 C7 -2.8(10) 19_667 . . 19_667 ?
C13 C12 C13 C7 65.3(7) 22_665 . . 19_667 ?
C10 C12 C13 C7 -33.2(11) 22_665 . . 19_667 ?
C11 C12 C13 C12 -65(3) 22_665 . . 22_665 ?
C14 C12 C13 C12 127(2) . . . 22_665 ?
C11 C12 C13 C12 -48(3) . . . 22_665 ?
C7 C12 C13 C12 -65.3(7) 19_667 . . 22_665 ?
C6 C12 C13 C12 -68.0(12) 19_667 . . 22_665 ?
C13 C12 C13 C12 0.000(6) 22_665 . . 22_665 ?
C10 C12 C13 C12 -98.5(12) 22_665 . . 22_665 ?
C11 C12 C13 C9 -45(4) 22_665 . . 4_557 ?
C12 C12 C13 C9 19.9(16) 22_665 . . 4_557 ?
C14 C12 C13 C9 147(2) . . . 4_557 ?
C11 C12 C13 C9 -28(4) . . . 4_557 ?
C7 C12 C13 C9 -45.4(17) 19_667 . . 4_557 ?
C6 C12 C13 C9 -48(2) 19_667 . . 4_557 ?
C13 C12 C13 C9 19.9(16) 22_665 . . 4_557 ?
C10 C12 C13 C9 -79(2) 22_665 . . 4_557 ?
C11 C12 C13 C9 32(3) 22_665 . . 22_665 ?
C12 C12 C13 C9 96.9(13) 22_665 . . 22_665 ?
C14 C12 C13 C9 -136(3) . . . 22_665 ?
C11 C12 C13 C9 49(3) . . . 22_665 ?
C7 C12 C13 C9 31.7(13) 19_667 . . 22_665 ?
C6 C12 C13 C9 29(2) 19_667 . . 22_665 ?
C13 C12 C13 C9 96.9(13) 22_665 . . 22_665 ?
C10 C12 C13 C9 -1.6(17) 22_665 . . 22_665 ?
C8 C8 C13 C13 0.00(2) 19_667 . . 22_665 ?
C9 C8 C13 C13 -123(2) 19_667 . . 22_665 ?
C9 C8 C13 C13 130.7(19) 22_665 . . 22_665 ?
C9 C8 C13 C13 -36.8(12) 4_557 . . 22_665 ?
C9 C8 C13 C13 41.4(17) . . . 22_665 ?
C13 C8 C13 C13 180.000(1) 4_557 . . 22_665 ?
C7 C8 C13 C13 75.3(7) 19_667 . . 22_665 ?
C7 C8 C13 C13 -89.1(12) . . . 22_665 ?
C13 C8 C13 C13 0.00(4) 19_667 . . 22_665 ?
C8 C8 C13 C9 123(2) 19_667 . . 19_667 ?
C9 C8 C13 C9 -106(4) 22_665 . . 19_667 ?
C9 C8 C13 C9 86(3) 4_557 . . 19_667 ?
C9 C8 C13 C9 164.7(17) . . . 19_667 ?
C13 C8 C13 C9 -57(2) 4_557 . . 19_667 ?
C7 C8 C13 C9 -161(3) 19_667 . . 19_667 ?
C7 C8 C13 C9 34(2) . . . 19_667 ?
C13 C8 C13 C9 123(3) 19_667 . . 19_667 ?
C13 C8 C13 C9 123(2) 22_665 . . 19_667 ?
C8 C8 C13 C17 124(3) 19_667 . . . ?
C9 C8 C13 C17 1(4) 19_667 . . . ?
C9 C8 C13 C17 -105(3) 22_665 . . . ?
C9 C8 C13 C17 87(3) 4_557 . . . ?
C9 C8 C13 C17 165(3) . . . . ?
C13 C8 C13 C17 -56(3) 4_557 . . . ?
C7 C8 C13 C17 -161(3) 19_667 . . . ?
C7 C8 C13 C17 35(3) . . . . ?
C13 C8 C13 C17 124(3) 19_667 . . . ?
C13 C8 C13 C17 124(3) 22_665 . . . ?
C8 C8 C13 C12 -79.4(19) 19_667 . . . ?
C9 C8 C13 C12 157(3) 19_667 . . . ?
C9 C8 C13 C12 51(3) 22_665 . . . ?
C9 C8 C13 C12 -116(2) 4_557 . . . ?
C9 C8 C13 C12 -38(3) . . . . ?
C13 C8 C13 C12 100.6(19) 4_557 . . . ?
C7 C8 C13 C12 -4.0(18) 19_667 . . . ?
C7 C8 C13 C12 -168.5(17) . . . . ?
C13 C8 C13 C12 -79.4(19) 19_667 . . . ?
C13 C8 C13 C12 -79.4(19) 22_665 . . . ?
C9 C8 C13 C8 -123(2) 19_667 . . 19_667 ?
C9 C8 C13 C8 130.7(19) 22_665 . . 19_667 ?
C9 C8 C13 C8 -36.8(12) 4_557 . . 19_667 ?
C9 C8 C13 C8 41.4(17) . . . 19_667 ?
C13 C8 C13 C8 180.000(11) 4_557 . . 19_667 ?
C7 C8 C13 C8 75.3(7) 19_667 . . 19_667 ?
C7 C8 C13 C8 -89.1(12) . . . 19_667 ?
C13 C8 C13 C8 0.00(2) 19_667 . . 19_667 ?
C13 C8 C13 C8 0.00(2) 22_665 . . 19_667 ?
C8 C8 C13 C7 -75.3(6) 19_667 . . 19_667 ?
C9 C8 C13 C7 161(3) 19_667 . . 19_667 ?
C9 C8 C13 C7 55.4(16) 22_665 . . 19_667 ?
C9 C8 C13 C7 -112.1(13) 4_557 . . 19_667 ?
C9 C8 C13 C7 -33.9(19) . . . 19_667 ?
C13 C8 C13 C7 104.7(7) 4_557 . . 19_667 ?
C7 C8 C13 C7 -164.4(16) . . . 19_667 ?
C13 C8 C13 C7 -75.3(6) 19_667 . . 19_667 ?
C13 C8 C13 C7 -75.3(7) 22_665 . . 19_667 ?
C8 C8 C13 C12 -41.1(8) 19_667 . . 22_665 ?
C9 C8 C13 C12 -164(3) 19_667 . . 22_665 ?
C9 C8 C13 C12 89.6(19) 22_665 . . 22_665 ?
C9 C8 C13 C12 -77.9(13) 4_557 . . 22_665 ?
C9 C8 C13 C12 0(2) . . . 22_665 ?
C13 C8 C13 C12 138.9(8) 4_557 . . 22_665 ?
C7 C8 C13 C12 34.2(8) 19_667 . . 22_665 ?
C7 C8 C13 C12 -130.2(12) . . . 22_665 ?
C13 C8 C13 C12 -41.1(9) 19_667 . . 22_665 ?
C13 C8 C13 C12 -41.1(8) 22_665 . . 22_665 ?
C8 C8 C13 C9 36.8(12) 19_667 . . 4_557 ?
C9 C8 C13 C9 -86(3) 19_667 . . 4_557 ?
C9 C8 C13 C9 167.5(14) 22_665 . . 4_557 ?
C9 C8 C13 C9 78(3) . . . 4_557 ?
C13 C8 C13 C9 -143.2(12) 4_557 . . 4_557 ?
C7 C8 C13 C9 112.1(14) 19_667 . . 4_557 ?
C7 C8 C13 C9 -52.3(14) . . . 4_557 ?
C13 C8 C13 C9 36.8(12) 19_667 . . 4_557 ?
C13 C8 C13 C9 36.8(12) 22_665 . . 4_557 ?
C8 C8 C13 C9 -130.7(19) 19_667 . . 22_665 ?
C9 C8 C13 C9 106(4) 19_667 . . 22_665 ?
C9 C8 C13 C9 -167.5(15) 4_557 . . 22_665 ?
C9 C8 C13 C9 -89(3) . . . 22_665 ?
C13 C8 C13 C9 49.3(19) 4_557 . . 22_665 ?
C7 C8 C13 C9 -55.4(16) 19_667 . . 22_665 ?
C7 C8 C13 C9 140(3) . . . 22_665 ?
C13 C8 C13 C9 -130.7(19) 19_667 . . 22_665 ?
C13 C8 C13 C9 -130.7(19) 22_665 . . 22_665 ?
C11 C12 C14 C15 -163(2) 22_665 . . . ?
C12 C12 C14 C15 118.9(15) 22_665 . . . ?
C11 C12 C14 C15 -179(2) . . . . ?
C13 C12 C14 C15 6(3) . . . . ?
C7 C12 C14 C15 -130(6) 19_667 . . . ?
C6 C12 C14 C15 -156.7(15) 19_667 . . . ?
C13 C12 C14 C15 60(3) 22_665 . . . ?
C10 C12 C14 C15 -109(2) 22_665 . . . ?
C12 C14 C15 C16 -0.1(15) . . . . ?
C14 C15 C16 C17 -6(2) . . . . ?
C15 C16 C17 C13 7(5) . . . . ?
C15 C16 C17 C9 72(7) . . . 19_667 ?
C13 C13 C17 C16 -113(3) 22_665 . . . ?
C9 C13 C17 C16 156(4) 19_667 . . . ?
C12 C13 C17 C16 -1(5) . . . . ?
C8 C13 C17 C16 155(3) . . . . ?
C8 C13 C17 C16 171(3) 19_667 . . . ?
C7 C13 C17 C16 72(8) 19_667 . . . ?
C12 C13 C17 C16 -47(5) 22_665 . . . ?
C9 C13 C17 C16 -158(3) 4_557 . . . ?
C9 C13 C17 C16 112(3) 22_665 . . . ?
C13 C13 C17 C9 91(2) 22_665 . . 19_667 ?
C12 C13 C17 C9 -157(3) . . . 19_667 ?
C8 C13 C17 C9 -1(3) . . . 19_667 ?
C8 C13 C17 C9 15(3) 19_667 . . 19_667 ?
C7 C13 C17 C9 -84(6) 19_667 . . 19_667 ?
C12 C13 C17 C9 157(3) 22_665 . . 19_667 ?
C9 C13 C17 C9 46(2) 4_557 . . 19_667 ?
C9 C13 C17 C9 -44(2) 22_665 . . 19_667 ?
C7 C9' C10' C6 0.000(16) 19_667 . . 19_667 ?
C8' C9' C10' C6 10.4(10) 19_667 . . 19_667 ?
C13' C9' C10' C6 -93(4) 4_557 . . 19_667 ?
C13' C9' C10' C6 93(4) 19_667 . . 19_667 ?
C17' C9' C10' C6 135.0(17) 19_667 . . 19_667 ?
C17' C9' C10' C6 -135.0(17) 4_557 . . 19_667 ?
C8' C9' C10' C7 10.4(10) 19_667 . . 19_667 ?
C13' C9' C10' C7 -93(4) 4_557 . . 19_667 ?
C13' C9' C10' C7 93(4) 19_667 . . 19_667 ?
C17' C9' C10' C7 135.0(17) 19_667 . . 19_667 ?
C17' C9' C10' C7 -135.0(17) 4_557 . . 19_667 ?
C7 C9' C10' C11' 0.000(12) 19_667 . . . ?
C8' C9' C10' C11' 10.4(10) 19_667 . . . ?
C13' C9' C10' C11' -93(4) 4_557 . . . ?
C13' C9' C10' C11' 93(4) 19_667 . . . ?
C17' C9' C10' C11' 135.0(17) 19_667 . . . ?
C17' C9' C10' C11' -135.0(17) 4_557 . . . ?
C7 C10' C11' C6 180.00(4) 19_667 . . 19_667 ?
C9' C10' C11' C6 180.00(4) . . . 19_667 ?
C6 C10' C11' C7 180.00(6) 19_667 . . 19_667 ?
C9' C10' C11' C7 0.000(11) . . . 19_667 ?
C6 C10' C11' C12' 149.5(12) 19_667 . . 22_665 ?
C7 C10' C11' C12' -30.5(12) 19_667 . . 22_665 ?
C9' C10' C11' C12' -30.5(12) . . . 22_665 ?
C6 C10' C11' C5 0.00(6) 19_667 . . 19_667 ?
C7 C10' C11' C5 180.000(17) 19_667 . . 19_667 ?
C9' C10' C11' C5 180.000(9) . . . 19_667 ?
C14' C14' C15' C16' 85.8(12) 22_665 . . . ?
C12' C14' C15' C16' 40.5(11) 22_665 . . . ?
C14' C15' C16' C17' -7(3) . . . . ?
C14' C15' C16' C16' 172.3(7) . . . 24 ?
C15' C16' C17' C9' -53(7) . . . 19_667 ?
C16' C16' C17' C9' 128(5) 24 . . 19_667 ?

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.055 -0.042 0.000 7847.9 1545.5
_platon_squeeze_details          
; ?
;

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        66.53
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.973
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.065
