#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/53/4075303.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4075303
loop_
_publ_author_name
'Shen, Hao'
'Chan, Hoi-Shan'
'Xie, Zuowei'
_publ_section_title
;
 Synthesis and Structural Characterization of New Carboranyl-Indenyl
 Ligands and Their Lanthanide Complexes
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2617
_journal_paper_doi               10.1021/om0601955
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C56 H102 B20 Cl Er2 Na O8.5'
_chemical_formula_weight         1520.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 121.648(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   45.890(4)
_cell_length_b                   10.9493(9)
_cell_length_c                   35.572(3)
_cell_measurement_temperature    293(2)
_cell_volume                     15216(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1137
_diffrn_reflns_av_sigmaI/netI    0.1364
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            37446
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.04
_exptl_absorpt_coefficient_mu    2.277
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6160
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.341
_refine_diff_density_min         -1.440
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     725
_refine_ls_number_reflns         13357
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.1181
_refine_ls_R_factor_gt           0.0831
_refine_ls_shift/su_max          0.099
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1429P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2420
_refine_ls_wR_factor_ref         0.2602
_reflns_number_gt                8245
_reflns_number_total             13357
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0601955si20060228_111331.cif
_cod_data_source_block           5b
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C56 H102 B20 Cl Er2 Na O8.50'
_cod_database_code               4075303
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Er1 Er 0.325866(16) 0.33829(5) 0.74336(2) 0.0419(2) Uani 1 1 d .
Er2 Er 0.412970(15) 0.26546(5) 0.870112(19) 0.0406(2) Uani 1 1 d .
Cl1 Cl 0.37905(9) 0.4399(3) 0.81200(11) 0.0511(8) Uani 1 1 d .
Na1 Na 0.2500 0.7500 0.5000 0.088(3) Uani 1 2 d S
Na2 Na 0.0000 0.5736(10) 0.2500 0.093(3) Uani 1 2 d S
B2 B 0.3493(4) 0.1096(19) 0.7279(6) 0.063(5) Uani 1 1 d .
H2 H 0.3579 0.0255 0.7478 0.075 Uiso 1 1 calc R
B4 B 0.3097(5) 0.3082(19) 0.6650(5) 0.062(5) Uani 1 1 d .
H4 H 0.2856 0.3569 0.6539 0.074 Uiso 1 1 calc R
B5 B 0.3458(5) 0.3850(19) 0.6857(6) 0.061(5) Uani 1 1 d .
H5 H 0.3453 0.4854 0.6864 0.073 Uiso 1 1 calc R
B6 B 0.3830(5) 0.3215(16) 0.7310(6) 0.057(4) Uani 1 1 d .
H6 H 0.4056 0.3758 0.7541 0.068 Uiso 1 1 calc R
B7 B 0.3818(4) 0.1634(18) 0.7070(6) 0.058(5) Uani 1 1 d .
H7 H 0.4014 0.0915 0.7207 0.069 Uiso 1 1 calc R
B8 B 0.3403(5) 0.078(2) 0.6716(7) 0.077(6) Uani 1 1 d .
H8 H 0.3398 -0.0193 0.6634 0.093 Uiso 1 1 calc R
B9 B 0.3087(6) 0.180(2) 0.6307(7) 0.083(7) Uani 1 1 d .
H9 H 0.2865 0.1495 0.5992 0.100 Uiso 1 1 calc R
B10 B 0.3330(6) 0.329(2) 0.6360(7) 0.086(7) Uani 1 1 d .
H10 H 0.3254 0.3871 0.6069 0.104 Uiso 1 1 calc R
B11 B 0.3745(6) 0.314(2) 0.6758(6) 0.080(6) Uani 1 1 d .
H11 H 0.3937 0.3569 0.6705 0.096 Uiso 1 1 calc R
B12 B 0.3540(6) 0.187(3) 0.6475(7) 0.089(7) Uani 1 1 d .
H12 H 0.3620 0.1499 0.6255 0.107 Uiso 1 1 calc R
B2' B 0.3636(4) 0.1166(13) 0.8736(5) 0.041(3) Uani 1 1 d .
H2' H 0.3443 0.0558 0.8480 0.049 Uiso 1 1 calc R
B4' B 0.4241(5) 0.2144(15) 0.9449(5) 0.049(4) Uani 1 1 d .
H4' H 0.4514 0.2093 0.9563 0.058 Uiso 1 1 calc R
B5' B 0.4042(4) 0.3547(14) 0.9342(5) 0.043(4) Uani 1 1 d .
H5' H 0.4177 0.4427 0.9415 0.051 Uiso 1 1 calc R
B6' B 0.3618(4) 0.3553(14) 0.8864(5) 0.045(4) Uani 1 1 d .
H6' H 0.3490 0.4398 0.8687 0.054 Uiso 1 1 calc R
B7' B 0.3422(5) 0.2177(15) 0.8997(6) 0.049(4) Uani 1 1 d .
H7' H 0.3152 0.1896 0.8824 0.059 Uiso 1 1 calc R
B8' B 0.3669(5) 0.0800(15) 0.9250(6) 0.055(4) Uani 1 1 d .
H8' H 0.3542 -0.0047 0.9255 0.066 Uiso 1 1 calc R
B9' B 0.4066(5) 0.1174(17) 0.9680(6) 0.058(5) Uani 1 1 d .
H9' H 0.4217 0.0549 0.9958 0.069 Uiso 1 1 calc R
B10' B 0.4099(5) 0.2775(16) 0.9808(6) 0.056(4) Uani 1 1 d .
H10' H 0.4261 0.3126 1.0146 0.067 Uiso 1 1 calc R
B11' B 0.3695(4) 0.3417(16) 0.9412(6) 0.052(4) Uani 1 1 d .
H11' H 0.3592 0.4157 0.9518 0.063 Uiso 1 1 calc R
B12' B 0.3693(4) 0.1890(16) 0.9577(6) 0.054(4) Uani 1 1 d .
H12' H 0.3573 0.1705 0.9771 0.065 Uiso 1 1 calc R
O1 O 0.3073(3) 0.5433(8) 0.7271(4) 0.064(3) Uani 1 1 d .
O1' O 0.4569(2) 0.4164(9) 0.8989(3) 0.062(3) Uani 1 1 d .
O2 O 0.2292(4) 0.8782(15) 0.5349(5) 0.116(5) Uani 1 1 d D
O3 O 0.3045(3) 0.7410(12) 0.5648(4) 0.095(4) Uani 1 1 d D
O4 O 0.2712(5) 0.9390(15) 0.4798(6) 0.137(6) Uani 1 1 d D
O5 O 0.0330(5) 0.5809(18) 0.3230(5) 0.145(7) Uani 1 1 d D
O6 O -0.0379(5) 0.6816(14) 0.2614(7) 0.128(6) Uani 1 1 d D
O7 O 0.0000 0.3714(18) 0.2500 0.098(6) Uani 1 2 d S
O8 O 0.0757(7) 0.773(2) 0.0838(10) 0.169(9) Uani 1 1 d D
C1 C 0.3787(3) 0.2086(13) 0.7533(4) 0.044(3) Uani 1 1 d .
C3 C 0.3136(4) 0.1584(15) 0.6824(5) 0.063(4) Uani 1 1 d .
H3 H 0.2922 0.1068 0.6804 0.076 Uiso 1 1 calc R
C11 C 0.4063(4) 0.1708(12) 0.7965(5) 0.046(3) Uani 1 1 d .
C12 C 0.4392(4) 0.2246(14) 0.8195(5) 0.055(4) Uani 1 1 d .
H12 H 0.4462 0.2930 0.8108 0.065 Uiso 1 1 calc R
C13 C 0.4597(4) 0.1539(16) 0.8587(5) 0.061(4) Uani 1 1 d .
C14 C 0.4947(5) 0.1667(18) 0.8934(6) 0.077(5) Uani 1 1 d .
H14 H 0.5077 0.2323 0.8938 0.093 Uiso 1 1 calc R
C15 C 0.5086(5) 0.082(2) 0.9258(6) 0.081(6) Uani 1 1 d .
H15 H 0.5317 0.0859 0.9478 0.098 Uiso 1 1 calc R
C16 C 0.4885(7) -0.011(2) 0.9262(8) 0.106(8) Uani 1 1 d .
H16 H 0.4980 -0.0662 0.9496 0.127 Uiso 1 1 calc R
C17 C 0.4555(6) -0.0241(16) 0.8941(6) 0.077(5) Uani 1 1 d .
H17 H 0.4432 -0.0909 0.8946 0.093 Uiso 1 1 calc R
C18 C 0.4396(4) 0.0595(14) 0.8603(5) 0.055(4) Uani 1 1 d .
C19 C 0.4059(4) 0.0726(12) 0.8222(5) 0.050(3) Uani 1 1 d .
H19 H 0.3870 0.0248 0.8155 0.060 Uiso 1 1 calc R
C21 C 0.2816(5) 0.5917(18) 0.6817(6) 0.095(6) Uani 1 1 d .
H21A H 0.2915 0.5965 0.6634 0.113 Uiso 1 1 calc R
H21B H 0.2613 0.5406 0.6671 0.113 Uiso 1 1 calc R
C22 C 0.2738(10) 0.710(3) 0.6905(10) 0.191(17) Uani 1 1 d .
H22A H 0.2661 0.7626 0.6652 0.229 Uiso 1 1 calc R
H22B H 0.2558 0.7047 0.6970 0.229 Uiso 1 1 calc R
C23 C 0.3034(7) 0.7547(17) 0.7265(11) 0.146(12) Uani 1 1 d .
H23A H 0.2989 0.8254 0.7391 0.175 Uiso 1 1 calc R
H23B H 0.3203 0.7758 0.7189 0.175 Uiso 1 1 calc R
C24 C 0.3153(7) 0.6399(16) 0.7590(8) 0.120(9) Uani 1 1 d .
H24A H 0.3396 0.6428 0.7811 0.144 Uiso 1 1 calc R
H24B H 0.3023 0.6325 0.7732 0.144 Uiso 1 1 calc R
C31 C 0.2235(9) 0.838(2) 0.5699(10) 0.168(12) Uiso 1 1 d D
H31A H 0.2405 0.7786 0.5891 0.201 Uiso 1 1 calc R
H31B H 0.2009 0.8023 0.5574 0.201 Uiso 1 1 calc R
C32 C 0.2267(6) 0.9566(17) 0.5950(7) 0.103(7) Uani 1 1 d D
H32A H 0.2139 0.9514 0.6096 0.124 Uiso 1 1 calc R
H32B H 0.2505 0.9743 0.6168 0.124 Uiso 1 1 calc R
C33 C 0.2118(7) 1.052(2) 0.5592(10) 0.153(12) Uani 1 1 d D
H33A H 0.2204 1.1328 0.5715 0.184 Uiso 1 1 calc R
H33B H 0.1870 1.0532 0.5442 0.184 Uiso 1 1 calc R
C34 C 0.2234(11) 1.015(2) 0.5271(12) 0.216(17) Uiso 1 1 d D
H34A H 0.2058 1.0330 0.4967 0.259 Uiso 1 1 calc R
H34B H 0.2444 1.0572 0.5342 0.259 Uiso 1 1 calc R
C35 C 0.3290(10) 0.634(3) 0.5781(14) 0.30(3) Uiso 1 1 d D
H35A H 0.3326 0.6079 0.5548 0.366 Uiso 1 1 calc R
H35B H 0.3228 0.5654 0.5897 0.366 Uiso 1 1 calc R
C36 C 0.3581(12) 0.708(5) 0.6132(18) 0.29(3) Uiso 1 1 d D
H36A H 0.3791 0.6629 0.6317 0.346 Uiso 1 1 calc R
H36B H 0.3622 0.7848 0.6031 0.346 Uiso 1 1 calc R
C37 C 0.3349(14) 0.717(5) 0.6306(18) 0.31(3) Uiso 1 1 d D
H37A H 0.3434 0.7832 0.6517 0.369 Uiso 1 1 calc R
H37B H 0.3382 0.6424 0.6473 0.369 Uiso 1 1 calc R
C38 C 0.2968(15) 0.735(7) 0.6013(16) 0.51(6) Uiso 1 1 d D
H38A H 0.2831 0.6651 0.5996 0.611 Uiso 1 1 calc R
H38B H 0.2883 0.8102 0.6063 0.611 Uiso 1 1 calc R
C39 C 0.3352(19) 1.016(8) 0.473(3) 0.62(8) Uiso 1 1 d D
H39A H 0.3513 1.0758 0.4933 0.741 Uiso 1 1 calc R
H39B H 0.3430 0.9619 0.4583 0.741 Uiso 1 1 calc R
C40 C 0.2976(16) 1.034(7) 0.454(2) 0.52(6) Uiso 1 1 d D
H40A H 0.2866 1.0566 0.4227 0.618 Uiso 1 1 calc R
H40B H 0.2872 0.9591 0.4556 0.618 Uiso 1 1 calc R
C41 C 0.2930(19) 1.133(6) 0.479(3) 0.41(4) Uiso 1 1 d D
H41A H 0.2838 1.2075 0.4615 0.492 Uiso 1 1 calc R
H41B H 0.3140 1.1517 0.5064 0.492 Uiso 1 1 calc R
C42 C 0.267(2) 1.068(3) 0.486(3) 0.62(8) Uiso 1 1 d D
H42A H 0.2715 1.0836 0.5153 0.746 Uiso 1 1 calc R
H42B H 0.2439 1.0955 0.4644 0.746 Uiso 1 1 calc R
C43 C 0.0636(8) 0.514(3) 0.3457(10) 0.212(17) Uiso 1 1 d D
H43A H 0.0791 0.5374 0.3361 0.255 Uiso 1 1 calc R
H43B H 0.0591 0.4269 0.3407 0.255 Uiso 1 1 calc R
C44 C 0.0786(8) 0.545(3) 0.3936(9) 0.187(15) Uani 1 1 d D
H44A H 0.0768 0.4752 0.4091 0.225 Uiso 1 1 calc R
H44B H 0.1026 0.5656 0.4072 0.225 Uiso 1 1 calc R
C45 C 0.0596(10) 0.650(3) 0.3967(8) 0.23(2) Uani 1 1 d D
H45A H 0.0749 0.7174 0.4128 0.276 Uiso 1 1 calc R
H45B H 0.0474 0.6271 0.4111 0.276 Uiso 1 1 calc R
C46 C 0.0353(11) 0.683(3) 0.3493(10) 0.26(2) Uiso 1 1 d D
H46A H 0.0129 0.7024 0.3445 0.307 Uiso 1 1 calc R
H46B H 0.0436 0.7543 0.3414 0.307 Uiso 1 1 calc R
C47 C -0.0503(9) 0.625(3) 0.2856(11) 0.189(14) Uiso 1 1 d D
H47A H -0.0345 0.6346 0.3171 0.227 Uiso 1 1 calc R
H47B H -0.0549 0.5394 0.2784 0.227 Uiso 1 1 calc R
C48 C -0.0821(9) 0.696(3) 0.2699(12) 0.184(14) Uiso 1 1 d D
H48A H -0.1012 0.6555 0.2448 0.221 Uiso 1 1 calc R
H48B H -0.0871 0.7018 0.2932 0.221 Uiso 1 1 calc R
C49 C -0.0775(10) 0.815(3) 0.2577(13) 0.205(18) Uani 1 1 d D
H49A H -0.0681 0.8701 0.2826 0.246 Uiso 1 1 calc R
H49B H -0.0989 0.8474 0.2339 0.246 Uiso 1 1 calc R
C50 C -0.0532(8) 0.795(3) 0.2431(12) 0.184(14) Uani 1 1 d D
H50A H -0.0650 0.7925 0.2111 0.221 Uiso 1 1 calc R
H50B H -0.0361 0.8593 0.2539 0.221 Uiso 1 1 calc R
C51 C 0.0123(8) 0.2957(19) 0.2281(10) 0.142(11) Uani 1 1 d D
H51A H 0.0351 0.3200 0.2358 0.171 Uiso 1 1 calc R
H51B H -0.0029 0.2992 0.1962 0.171 Uiso 1 1 calc R
C52 C 0.0125(10) 0.169(2) 0.2457(13) 0.200(16) Uiso 1 1 d D
H52A H 0.0083 0.1071 0.2239 0.240 Uiso 1 1 calc R
H52B H 0.0344 0.1525 0.2724 0.240 Uiso 1 1 calc R
C53 C 0.0616(9) 0.755(3) 0.0384(13) 0.159(13) Uani 1 1 d D
H53A H 0.0440 0.8160 0.0221 0.191 Uiso 1 1 calc R
H53B H 0.0511 0.6754 0.0300 0.191 Uiso 1 1 calc R
C54 C 0.0881(9) 0.765(3) 0.0263(10) 0.154(12) Uani 1 1 d D
H54A H 0.0896 0.6896 0.0133 0.185 Uiso 1 1 calc R
H54B H 0.0823 0.8307 0.0051 0.185 Uiso 1 1 calc R
C55 C 0.1214(7) 0.7919(18) 0.0680(12) 0.144(12) Uani 1 1 d .
H55A H 0.1291 0.8741 0.0678 0.173 Uiso 1 1 calc R
H55B H 0.1389 0.7344 0.0722 0.173 Uiso 1 1 calc R
C56 C 0.1128(8) 0.777(2) 0.1045(10) 0.178(18) Uani 1 1 d D
H56A H 0.1230 0.7027 0.1210 0.214 Uiso 1 1 calc R
H56B H 0.1221 0.8455 0.1249 0.214 Uiso 1 1 calc R
C1' C 0.3496(3) 0.2453(11) 0.8560(4) 0.038(3) Uani 1 1 d .
C3' C 0.4008(4) 0.0973(12) 0.9187(5) 0.050(3) Uani 1 1 d .
H3' H 0.4125 0.0129 0.9159 0.060 Uiso 1 1 calc R
C11' C 0.3192(3) 0.2545(11) 0.8099(4) 0.037(3) Uani 1 1 d .
C12' C 0.2975(4) 0.3572(12) 0.7920(5) 0.053(4) Uani 1 1 d .
H12A H 0.3010 0.4314 0.8065 0.063 Uiso 1 1 calc R
C13' C 0.2698(3) 0.3319(13) 0.7492(4) 0.047(3) Uani 1 1 d .
C14' C 0.2411(4) 0.3950(16) 0.7167(5) 0.060(4) Uani 1 1 d .
H14A H 0.2384 0.4758 0.7222 0.072 Uiso 1 1 calc R
C15' C 0.2171(5) 0.346(2) 0.6776(6) 0.076(5) Uani 1 1 d .
H15A H 0.1986 0.3909 0.6563 0.092 Uiso 1 1 calc R
C16' C 0.2218(4) 0.225(2) 0.6710(6) 0.087(6) Uani 1 1 d .
H16A H 0.2048 0.1872 0.6453 0.105 Uiso 1 1 calc R
C17' C 0.2494(4) 0.1563(15) 0.6994(5) 0.061(4) Uani 1 1 d .
H17A H 0.2512 0.0760 0.6924 0.073 Uiso 1 1 calc R
C18' C 0.2757(4) 0.2080(13) 0.7402(5) 0.048(3) Uani 1 1 d .
C19' C 0.3061(3) 0.1663(11) 0.7771(4) 0.040(3) Uani 1 1 d .
H19A H 0.3160 0.0905 0.7793 0.048 Uiso 1 1 calc R
C21' C 0.4840(5) 0.4352(19) 0.9449(6) 0.089(6) Uani 1 1 d .
H21C H 0.4742 0.4589 0.9623 0.107 Uiso 1 1 calc R
H21D H 0.4970 0.3605 0.9572 0.107 Uiso 1 1 calc R
C22' C 0.5056(8) 0.529(3) 0.9456(8) 0.174(15) Uani 1 1 d .
H22C H 0.5276 0.4954 0.9535 0.209 Uiso 1 1 calc R
H22D H 0.5092 0.5903 0.9674 0.209 Uiso 1 1 calc R
C23' C 0.4897(6) 0.584(3) 0.9027(9) 0.145(11) Uani 1 1 d .
H23C H 0.4829 0.6674 0.9038 0.174 Uiso 1 1 calc R
H23D H 0.5055 0.5861 0.8924 0.174 Uiso 1 1 calc R
C24' C 0.4611(6) 0.5140(19) 0.8743(6) 0.106(7) Uani 1 1 d .
H24C H 0.4638 0.4794 0.8513 0.127 Uiso 1 1 calc R
H24D H 0.4408 0.5652 0.8604 0.127 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Er1 B4 89.7(5) . .
O1 Er1 Cl1 82.3(3) . .
B4 Er1 Cl1 132.7(5) . .
O1 Er1 C19' 128.5(4) . .
B4 Er1 C19' 116.2(6) . .
Cl1 Er1 C19' 104.7(3) . .
O1 Er1 C18' 107.8(4) . .
B4 Er1 C18' 98.0(6) . .
Cl1 Er1 C18' 128.9(3) . .
C19' Er1 C18' 30.6(4) . .
O1 Er1 C12' 81.3(4) . .
B4 Er1 C12' 140.7(5) . .
Cl1 Er1 C12' 84.0(3) . .
C19' Er1 C12' 50.0(4) . .
C18' Er1 C12' 50.3(4) . .
O1 Er1 C1 136.4(4) . .
B4 Er1 C1 78.1(5) . .
Cl1 Er1 C1 76.5(3) . .
C19' Er1 C1 93.8(4) . .
C18' Er1 C1 115.2(5) . .
C12' Er1 C1 132.5(4) . .
O1 Er1 C13' 78.8(4) . .
B4 Er1 C13' 110.3(5) . .
Cl1 Er1 C13' 113.5(3) . .
C19' Er1 C13' 51.3(4) . .
C18' Er1 C13' 31.5(4) . .
C12' Er1 C13' 30.5(4) . .
C1 Er1 C13' 144.7(4) . .
O1 Er1 B5 81.8(5) . .
B4 Er1 B5 36.6(6) . .
Cl1 Er1 B5 96.1(4) . .
C19' Er1 B5 144.8(5) . .
C18' Er1 B5 134.5(5) . .
C12' Er1 B5 162.9(5) . .
C1 Er1 B5 63.6(5) . .
C13' Er1 B5 141.6(5) . .
O1 Er1 C11' 110.1(4) . .
B4 Er1 C11' 145.9(6) . .
Cl1 Er1 C11' 78.8(3) . .
C19' Er1 C11' 30.1(4) . .
C18' Er1 C11' 50.4(4) . .
C12' Er1 C11' 30.5(4) . .
C1 Er1 C11' 102.4(4) . .
C13' Er1 C11' 51.0(4) . .
B5 Er1 C11' 166.0(5) . .
O1 Er1 C3 125.9(4) . .
B4 Er1 C3 37.9(6) . .
Cl1 Er1 C3 137.7(3) . .
C19' Er1 C3 82.6(5) . .
C18' Er1 C3 76.6(4) . .
C12' Er1 C3 126.7(4) . .
C1 Er1 C3 61.4(4) . .
C13' Er1 C3 103.5(4) . .
B5 Er1 C3 63.1(6) . .
C11' Er1 C3 112.1(4) . .
O1 Er1 B6 105.3(4) . .
B4 Er1 B6 65.4(6) . .
Cl1 Er1 B6 72.1(4) . .
C19' Er1 B6 125.6(5) . .
C18' Er1 B6 142.7(5) . .
C12' Er1 B6 153.8(5) . .
C1 Er1 B6 31.8(5) . .
C13' Er1 B6 173.7(5) . .
B5 Er1 B6 36.7(5) . .
C11' Er1 B6 129.9(5) . .
C3 Er1 B6 70.3(5) . .
O1' Er2 B4' 92.5(5) . .
O1' Er2 C19 128.7(4) . .
B4' Er2 C19 113.5(5) . .
O1' Er2 Cl1 81.5(3) . .
B4' Er2 Cl1 134.7(4) . .
C19 Er2 Cl1 104.6(3) . .
O1' Er2 C18 107.4(4) . .
B4' Er2 C18 95.6(5) . .
C19 Er2 C18 31.3(4) . .
Cl1 Er2 C18 129.1(3) . .
O1' Er2 C12 80.0(4) . .
B4' Er2 C12 140.1(5) . .
C19 Er2 C12 51.3(5) . .
Cl1 Er2 C12 83.3(3) . .
C18 Er2 C12 51.2(5) . .
O1' Er2 C13 79.4(5) . .
B4' Er2 C13 109.2(5) . .
C19 Er2 C13 51.0(5) . .
Cl1 Er2 C13 113.6(4) . .
C18 Er2 C13 30.5(5) . .
C12 Er2 C13 31.0(4) . .
O1' Er2 C11 108.9(4) . .
B4' Er2 C11 144.1(5) . .
C19 Er2 C11 31.0(4) . .
Cl1 Er2 C11 78.3(3) . .
C18 Er2 C11 51.1(4) . .
C12 Er2 C11 30.6(4) . .
C13 Er2 C11 50.6(4) . .
O1' Er2 C1' 136.6(4) . .
B4' Er2 C1' 77.1(5) . .
C19 Er2 C1' 93.4(4) . .
Cl1 Er2 C1' 77.1(3) . .
C18 Er2 C1' 115.5(4) . .
C12 Er2 C1' 133.2(4) . .
C13 Er2 C1' 143.9(5) . .
C11 Er2 C1' 103.2(4) . .
O1' Er2 B5' 81.6(4) . .
B4' Er2 B5' 38.5(5) . .
C19 Er2 B5' 144.8(5) . .
Cl1 Er2 B5' 96.4(3) . .
C18 Er2 B5' 134.2(4) . .
C12 Er2 B5' 161.5(5) . .
C13 Er2 B5' 141.3(5) . .
C11 Er2 B5' 167.0(5) . .
C1' Er2 B5' 63.9(4) . .
O1' Er2 C3' 126.5(4) . .
B4' Er2 C3' 35.2(5) . .
C19 Er2 C3' 82.7(4) . .
Cl1 Er2 C3' 137.6(3) . .
C18 Er2 C3' 77.1(4) . .
C12 Er2 C3' 128.1(4) . .
C13 Er2 C3' 103.4(5) . .
C11 Er2 C3' 113.2(4) . .
C1' Er2 C3' 60.7(4) . .
B5' Er2 C3' 63.0(4) . .
O1' Er2 B2' 153.1(4) . .
B4' Er2 B2' 63.1(5) . .
C19 Er2 B2' 74.8(4) . .
Cl1 Er2 B2' 107.0(3) . .
C18 Er2 B2' 87.2(5) . .
C12 Er2 B2' 125.7(5) . .
C13 Er2 B2' 117.7(5) . .
C11 Er2 B2' 97.8(4) . .
C1' Er2 B2' 32.1(4) . .
B5' Er2 B2' 72.2(5) . .
C3' Er2 B2' 33.7(4) . .
Er1 Cl1 Er2 107.46(12) . .
O3 Na1 O3 180.000(4) 7_566 .
O3 Na1 O2 88.7(5) 7_566 .
O3 Na1 O2 91.3(5) . .
O3 Na1 O2 91.3(5) 7_566 7_566
O3 Na1 O2 88.7(5) . 7_566
O2 Na1 O2 180.000(4) . 7_566
O3 Na1 O4 86.8(6) 7_566 7_566
O3 Na1 O4 93.2(6) . 7_566
O2 Na1 O4 90.8(5) . 7_566
O2 Na1 O4 89.2(5) 7_566 7_566
O3 Na1 O4 93.2(6) 7_566 .
O3 Na1 O4 86.8(6) . .
O2 Na1 O4 89.2(5) . .
O2 Na1 O4 90.8(5) 7_566 .
O4 Na1 O4 180.0(9) 7_566 .
O3 Na1 C38 151.5(8) 7_566 .
O3 Na1 C38 28.5(8) . .
O2 Na1 C38 69.3(9) . .
O2 Na1 C38 110.7(9) 7_566 .
O4 Na1 C38 76.1(14) 7_566 .
O4 Na1 C38 103.9(15) . .
O3 Na1 C38 28.5(8) 7_566 7_566
O3 Na1 C38 151.5(8) . 7_566
O2 Na1 C38 110.7(9) . 7_566
O2 Na1 C38 69.3(9) 7_566 7_566
O4 Na1 C38 103.9(15) 7_566 7_566
O4 Na1 C38 76.1(14) . 7_566
C38 Na1 C38 180.000(12) . 7_566
O7 Na2 O5 92.1(6) . .
O7 Na2 O5 92.1(6) . 2
O5 Na2 O5 175.9(12) . 2
O7 Na2 O6 120.8(5) . .
O5 Na2 O6 83.7(7) . .
O5 Na2 O6 94.2(8) 2 .
O7 Na2 O6 120.8(5) . 2
O5 Na2 O6 94.2(8) . 2
O5 Na2 O6 83.7(7) 2 2
O6 Na2 O6 118.4(9) . 2
C1 B2 C3 116.0(15) . .
C1 B2 B8 112.4(14) . .
C3 B2 B8 57.7(9) . .
C1 B2 Er1 65.8(8) . .
C3 B2 Er1 68.6(8) . .
B8 B2 Er1 118.3(11) . .
B5 B4 C3 115.8(14) . .
B5 B4 B10 56.3(11) . .
C3 B4 B10 109.8(13) . .
B5 B4 B9 110.9(14) . .
C3 B4 B9 58.5(11) . .
B10 B4 B9 63.1(12) . .
B5 B4 Er1 78.1(9) . .
C3 B4 Er1 79.1(8) . .
B10 B4 Er1 133.3(12) . .
B9 B4 Er1 136.7(12) . .
B4 B5 B10 68.0(13) . .
B4 B5 B11 112.2(15) . .
B10 B5 B11 59.8(12) . .
B4 B5 B6 118.2(14) . .
B10 B5 B6 117.5(14) . .
B11 B5 B6 61.9(10) . .
B4 B5 Er1 65.2(8) . .
B10 B5 Er1 132.1(14) . .
B11 B5 Er1 132.3(12) . .
B6 B5 Er1 77.4(8) . .
C1 B6 B5 117.5(14) . .
C1 B6 B11 121.1(15) . .
B5 B6 B11 57.7(11) . .
C1 B6 B7 61.4(10) . .
B5 B6 B7 99.2(12) . .
B11 B6 B7 62.2(11) . .
C1 B6 Er1 66.3(7) . .
B5 B6 Er1 65.9(7) . .
B11 B6 Er1 118.5(11) . .
B7 B6 Er1 107.9(9) . .
C1 B7 B12 133.0(13) . .
C1 B7 B8 102.3(11) . .
B12 B7 B8 56.6(12) . .
C1 B7 B11 102.8(12) . .
B12 B7 B11 53.6(12) . .
B8 B7 B11 103.4(13) . .
C1 B7 B6 48.8(8) . .
B12 B7 B6 103.4(14) . .
B8 B7 B6 122.0(12) . .
B11 B7 B6 55.7(10) . .
C3 B8 B12 104.0(16) . .
C3 B8 B9 59.5(10) . .
B12 B8 B9 62.0(13) . .
C3 B8 B2 55.9(9) . .
B12 B8 B2 117.7(16) . .
B9 B8 B2 112.4(13) . .
C3 B8 B7 100.6(12) . .
B12 B8 B7 59.9(12) . .
B9 B8 B7 109.3(16) . .
B2 B8 B7 67.1(10) . .
C3 B9 B8 57.5(11) . .
C3 B9 B12 99.4(14) . .
B8 B9 B12 57.8(13) . .
C3 B9 B4 57.5(10) . .
B8 B9 B4 102.0(14) . .
B12 B9 B4 97.1(15) . .
C3 B9 B10 105.4(14) . .
B8 B9 B10 105.5(15) . .
B12 B9 B10 55.9(13) . .
B4 B9 B10 58.6(11) . .
B5 B10 B11 61.9(12) . .
B5 B10 B12 103.4(15) . .
B11 B10 B12 58.5(13) . .
B5 B10 B4 55.6(11) . .
B11 B10 B4 104.3(15) . .
B12 B10 B4 99.4(16) . .
B5 B10 B9 106.1(15) . .
B11 B10 B9 109.8(17) . .
B12 B10 B9 59.4(13) . .
B4 B10 B9 58.2(12) . .
B10 B11 B12 63.3(14) . .
B10 B11 B5 58.4(12) . .
B12 B11 B5 104.4(16) . .
B10 B11 B6 114.7(15) . .
B12 B11 B6 115.0(16) . .
B5 B11 B6 60.3(10) . .
B10 B11 B7 110.4(17) . .
B12 B11 B7 60.4(13) . .
B5 B11 B7 100.9(13) . .
B6 B11 B7 62.1(10) . .
B11 B12 B10 58.2(14) . .
B11 B12 B8 119.9(16) . .
B10 B12 B8 114.8(15) . .
B11 B12 B9 113.9(16) . .
B10 B12 B9 64.6(14) . .
B8 B12 B9 60.2(13) . .
B11 B12 B7 66.0(12) . .
B10 B12 B7 110.8(15) . .
B8 B12 B7 63.5(12) . .
B9 B12 B7 110.7(14) . .
C1' B2' C3' 121.1(12) . .
C1' B2' B8' 114.4(11) . .
C3' B2' B8' 58.9(9) . .
C1' B2' Er2 68.2(7) . .
C3' B2' Er2 70.8(7) . .
B8' B2' Er2 121.8(9) . .
C3' B4' B5' 117.8(13) . .
C3' B4' B9' 57.9(9) . .
B5' B4' B9' 108.6(12) . .
C3' B4' B10' 109.3(12) . .
B5' B4' B10' 58.7(9) . .
B9' B4' B10' 59.6(9) . .
C3' B4' Er2 81.9(8) . .
B5' B4' Er2 77.1(7) . .
B9' B4' Er2 137.7(11) . .
B10' B4' Er2 134.8(10) . .
B4' B5' B10' 64.0(9) . .
B4' B5' B11' 108.3(11) . .
B10' B5' B11' 61.4(9) . .
B4' B5' B6' 113.5(12) . .
B10' B5' B6' 116.8(12) . .
B11' B5' B6' 61.1(9) . .
B4' B5' Er2 64.3(7) . .
B10' B5' Er2 127.5(9) . .
B11' B5' Er2 130.1(10) . .
B6' B5' Er2 76.6(7) . .
C1' B6' B11' 119.9(12) . .
C1' B6' B5' 119.1(12) . .
B11' B6' B5' 58.1(9) . .
C1' B6' B7' 60.8(8) . .
B11' B6' B7' 61.5(9) . .
B5' B6' B7' 100.2(11) . .
C1' B6' Er2 67.6(7) . .
B11' B6' Er2 118.4(9) . .
B5' B6' Er2 66.1(7) . .
B7' B6' Er2 108.5(8) . .
C1' B7' B12' 134.4(12) . .
C1' B7' B8' 102.6(10) . .
B12' B7' B8' 53.7(9) . .
C1' B7' B11' 101.9(10) . .
B12' B7' B11' 57.1(9) . .
B8' B7' B11' 102.7(12) . .
C1' B7' B6' 47.9(7) . .
B12' B7' B6' 106.7(11) . .
B8' B7' B6' 121.2(12) . .
B11' B7' B6' 55.6(8) . .
B12' B8' C3' 106.9(13) . .
B12' B8' B9' 62.8(11) . .
C3' B8' B9' 58.0(10) . .
B12' B8' B2' 120.0(12) . .
C3' B8' B2' 55.5(9) . .
B9' B8' B2' 109.9(13) . .
B12' B8' B7' 62.4(10) . .
C3' B8' B7' 102.6(11) . .
B9' B8' B7' 109.9(12) . .
B2' B8' B7' 67.2(9) . .
C3' B9' B8' 60.8(10) . .
C3' B9' B12' 104.2(12) . .
B8' B9' B12' 56.5(10) . .
C3' B9' B4' 56.3(9) . .
B8' B9' B4' 105.0(12) . .
B12' B9' B4' 105.5(12) . .
C3' B9' B10' 110.2(12) . .
B8' B9' B10' 111.8(13) . .
B12' B9' B10' 63.8(10) . .
B4' B9' B10' 62.2(10) . .
B5' B10' B9' 106.4(12) . .
B5' B10' B11' 59.0(9) . .
B9' B10' B11' 105.6(13) . .
B5' B10' B4' 57.3(9) . .
B9' B10' B4' 58.2(9) . .
B11' B10' B4' 101.5(12) . .
B5' B10' B12' 102.4(12) . .
B9' B10' B12' 56.6(10) . .
B11' B10' B12' 58.1(10) . .
B4' B10' B12' 97.7(12) . .
B5' B11' B12' 106.8(12) . .
B5' B11' B10' 59.6(9) . .
B12' B11' B10' 63.3(10) . .
B5' B11' B6' 60.8(9) . .
B12' B11' B6' 113.9(12) . .
B10' B11' B6' 114.8(12) . .
B5' B11' B7' 103.1(11) . .
B12' B11' B7' 58.1(9) . .
B10' B11' B7' 108.6(12) . .
B6' B11' B7' 62.9(9) . .
B8' B12' B9' 60.6(10) . .
B8' B12' B11' 117.7(13) . .
B9' B12' B11' 108.6(12) . .
B8' B12' B7' 64.0(10) . .
B9' B12' B7' 109.5(12) . .
B11' B12' B7' 64.8(10) . .
B8' B12' B10' 111.8(12) . .
B9' B12' B10' 59.7(10) . .
B11' B12' B10' 58.6(9) . .
B7' B12' B10' 110.2(12) . .
C24 O1 C21 108.4(13) . .
C24 O1 Er1 126.2(10) . .
C21 O1 Er1 125.0(10) . .
C24' O1' C21' 105.5(13) . .
C24' O1' Er2 126.8(10) . .
C21' O1' Er2 127.6(10) . .
C34 O2 C31 111.0(17) . .
C34 O2 Na1 124.4(14) . .
C31 O2 Na1 124.3(14) . .
C35 O3 C38 99.7(16) . .
C35 O3 Na1 125(2) . .
C38 O3 Na1 104(2) . .
C42 O4 C39 87(3) . .
C42 O4 Na1 130(3) . .
C39 O4 Na1 137.8(17) . .
C43 O5 C46 109(2) . .
C43 O5 Na2 121.1(16) . .
C46 O5 Na2 124.4(17) . .
C47 O6 C50 114(2) . .
C47 O6 Na2 118.1(17) . .
C50 O6 Na2 127.5(17) . .
C51 O7 C51 110(2) 2 .
C51 O7 Na2 125.1(11) 2 .
C51 O7 Na2 125.1(11) . .
C53 O8 C56 107(3) . .
C11 C1 B6 119.9(13) . .
C11 C1 B2 114.7(13) . .
B6 C1 B2 123.8(13) . .
C11 C1 B7 116.6(11) . .
B6 C1 B7 69.8(10) . .
B2 C1 B7 75.1(10) . .
C11 C1 Er1 121.4(9) . .
B6 C1 Er1 81.9(8) . .
B2 C1 Er1 81.2(8) . .
B7 C1 Er1 121.9(8) . .
B2 C3 B8 66.4(11) . .
B2 C3 B4 120.8(13) . .
B8 C3 B4 111.0(14) . .
B2 C3 B9 125.5(13) . .
B8 C3 B9 63.0(11) . .
B4 C3 B9 63.9(12) . .
B2 C3 Er1 77.0(8) . .
B8 C3 Er1 132.0(10) . .
B4 C3 Er1 62.9(7) . .
B9 C3 Er1 126.1(12) . .
C19 C11 C12 108.4(13) . .
C19 C11 C1 126.9(13) . .
C12 C11 C1 124.7(13) . .
C19 C11 Er2 72.4(7) . .
C12 C11 Er2 74.6(8) . .
C1 C11 Er2 120.9(9) . .
C11 C12 C13 107.1(14) . .
C11 C12 Er2 74.8(7) . .
C13 C12 Er2 74.6(8) . .
C18 C13 C12 109.1(13) . .
C18 C13 C14 119.9(15) . .
C12 C13 C14 131.0(18) . .
C18 C13 Er2 74.5(8) . .
C12 C13 Er2 74.4(8) . .
C14 C13 Er2 116.7(11) . .
C15 C14 C13 118.9(19) . .
C14 C15 C16 119.8(19) . .
C17 C16 C15 122(2) . .
C16 C17 C18 121(2) . .
C17 C18 C13 117.8(16) . .
C17 C18 C19 135.1(17) . .
C13 C18 C19 107.1(13) . .
C17 C18 Er2 121.2(10) . .
C13 C18 Er2 75.0(8) . .
C19 C18 Er2 72.4(8) . .
C11 C19 C18 108.2(13) . .
C11 C19 Er2 76.6(7) . .
C18 C19 Er2 76.2(8) . .
C22 C21 O1 103.2(18) . .
C23 C22 C21 107(2) . .
C22 C23 C24 101(2) . .
O1 C24 C23 99.2(17) . .
O2 C31 C32 103.4(19) . .
C33 C32 C31 104(2) . .
C32 C33 C34 105.2(19) . .
O2 C34 C33 103(2) . .
O3 C35 C36 92(3) . .
O3 C35 C37 69(2) . .
C36 C35 C37 48.7(19) . .
C37 C36 C35 82(4) . .
C36 C37 C38 123(4) . .
C36 C37 C35 49.3(19) . .
C38 C37 C35 83(3) . .
O3 C38 C37 84(3) . .
O3 C38 Na1 47.8(18) . .
C37 C38 Na1 131(2) . .
C40 C39 O4 35(5) . .
C41 C40 C39 108(2) . .
C40 C41 C42 97(6) . .
O4 C42 C41 105(5) . .
O5 C43 C44 105(2) . .
C45 C44 C43 109(2) . .
C44 C45 C46 103(2) . .
O5 C46 C45 107.6(18) . .
O6 C47 C48 100(2) . .
C49 C48 C47 108(3) . .
C48 C49 C50 104(2) . .
O6 C50 C49 105(2) . .
O7 C51 C52 103(2) . .
C52 C52 C51 106(2) 2 .
O8 C53 C54 112(3) . .
C55 C54 C53 107(3) . .
C54 C55 C56 104(2) . .
O8 C56 C55 109(3) . .
C11' C1' B6' 120.7(11) . .
C11' C1' B2' 117.2(11) . .
B6' C1' B2' 121.2(12) . .
C11' C1' B7' 118.1(11) . .
B6' C1' B7' 71.3(9) . .
B2' C1' B7' 73.7(9) . .
C11' C1' Er2 119.6(8) . .
B6' C1' Er2 81.0(8) . .
B2' C1' Er2 79.6(8) . .
B7' C1' Er2 122.3(9) . .
B2' C3' B4' 120.0(11) . .
B2' C3' B9' 122.1(12) . .
B4' C3' B9' 65.8(10) . .
B2' C3' B8' 65.6(9) . .
B4' C3' B8' 112.8(11) . .
B9' C3' B8' 61.2(10) . .
B2' C3' Er2 75.6(7) . .
B4' C3' Er2 62.9(7) . .
B9' C3' Er2 127.0(9) . .
B8' C3' Er2 131.0(9) . .
C19' C11' C12' 106.4(11) . .
C19' C11' C1' 128.2(11) . .
C12' C11' C1' 125.4(12) . .
C19' C11' Er1 72.5(7) . .
C12' C11' Er1 73.2(8) . .
C1' C11' Er1 120.9(8) . .
C13' C12' C11' 110.8(12) . .
C13' C12' Er1 75.7(8) . .
C11' C12' Er1 76.2(8) . .
C14' C13' C12' 136.3(14) . .
C14' C13' C18' 118.9(13) . .
C12' C13' C18' 104.8(12) . .
C14' C13' Er1 116.6(10) . .
C12' C13' Er1 73.8(8) . .
C18' C13' Er1 73.3(7) . .
C15' C14' C13' 124.1(16) . .
C14' C15' C16' 116.1(17) . .
C17' C16' C15' 124.8(18) . .
C16' C17' C18' 119.8(17) . .
C19' C18' C17' 135.9(14) . .
C19' C18' C13' 107.9(12) . .
C17' C18' C13' 116.1(14) . .
C19' C18' Er1 73.8(7) . .
C17' C18' Er1 120.4(9) . .
C13' C18' Er1 75.3(8) . .
C11' C19' C18' 110.0(12) . .
C11' C19' Er1 77.5(7) . .
C18' C19' Er1 75.6(7) . .
C22' C21' O1' 107.3(17) . .
C21' C22' C23' 109(2) . .
C24' C23' C22' 107(2) . .
C23' C24' O1' 109.9(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O1 2.363(9) .
Er1 B4 2.503(16) .
Er1 Cl1 2.627(4) .
Er1 C19' 2.638(12) .
Er1 C18' 2.661(13) .
Er1 C12' 2.662(15) .
Er1 C1 2.667(12) .
Er1 C13' 2.687(13) .
Er1 B5 2.697(16) .
Er1 C11' 2.700(12) .
Er1 C3 2.761(15) .
Er1 B6 2.884(17) .
Er2 O1' 2.384(9) .
Er2 B4' 2.496(15) .
Er2 C19 2.624(13) .
Er2 Cl1 2.639(3) .
Er2 C18 2.674(14) .
Er2 C12 2.678(13) .
Er2 C13 2.680(14) .
Er2 C11 2.679(13) .
Er2 C1' 2.687(12) .
Er2 B5' 2.700(15) .
Er2 C3' 2.775(13) .
Er2 B2' 2.846(15) .
Na1 O3 2.351(12) 7_566
Na1 O3 2.351(12) .
Na1 O2 2.380(14) .
Na1 O2 2.380(14) 7_566
Na1 O4 2.547(17) 7_566
Na1 O4 2.547(17) .
Na1 C38 3.08(5) .
Na1 C38 3.08(5) 7_566
Na2 O7 2.21(2) .
Na2 O5 2.217(16) .
Na2 O5 2.217(16) 2
Na2 O6 2.307(17) .
Na2 O6 2.307(17) 2
B2 C1 1.59(2) .
B2 C3 1.68(2) .
B2 B8 1.86(3) .
B4 B5 1.64(3) .
B4 C3 1.73(3) .
B4 B10 1.85(3) .
B4 B9 1.84(3) .
B5 B10 1.66(3) .
B5 B11 1.72(3) .
B5 B6 1.76(3) .
B6 C1 1.54(2) .
B6 B11 1.79(3) .
B6 B7 1.92(3) .
B7 C1 1.79(2) .
B7 B12 1.83(3) .
B7 B8 1.89(3) .
B7 B11 1.92(3) .
B8 C3 1.71(2) .
B8 B12 1.76(3) .
B8 B9 1.81(3) .
B9 C3 1.75(3) .
B9 B12 1.84(3) .
B9 B10 1.93(4) .
B10 B11 1.68(3) .
B10 B12 1.77(3) .
B11 B12 1.69(3) .
B2' C1' 1.539(18) .
B2' C3' 1.63(2) .
B2' B8' 1.80(2) .
B4' C3' 1.62(2) .
B4' B5' 1.73(2) .
B4' B9' 1.77(2) .
B4' B10' 1.84(2) .
B5' B10' 1.75(2) .
B5' B11' 1.74(2) .
B5' B6' 1.79(2) .
B6' C1' 1.52(2) .
B6' B11' 1.80(2) .
B6' B7' 1.94(2) .
B7' C1' 1.783(19) .
B7' B12' 1.79(2) .
B7' B8' 1.82(2) .
B7' B11' 1.91(2) .
B8' B12' 1.63(2) .
B8' C3' 1.69(2) .
B8' B9' 1.70(3) .
B9' C3' 1.65(2) .
B9' B12' 1.74(2) .
B9' B10' 1.80(2) .
B10' B11' 1.78(2) .
B10' B12' 1.87(3) .
B11' B12' 1.77(2) .
O1 C24 1.45(2) .
O1 C21 1.511(19) .
O1' C24' 1.455(19) .
O1' C21' 1.460(18) .
O2 C34 1.525(18) .
O2 C31 1.47(3) .
O3 C35 1.518(19) .
O3 C38 1.51(2) .
O4 C42 1.46(2) .
O4 C39 3.18(8) .
O5 C43 1.407(18) .
O5 C46 1.428(19) .
O6 C47 1.396(18) .
O6 C50 1.406(18) .
O7 C51 1.44(2) 2
O7 C51 1.44(2) .
O8 C53 1.40(4) .
O8 C56 1.462(19) .
C1 C11 1.449(19) .
C11 C19 1.418(19) .
C11 C12 1.41(2) .
C12 C13 1.43(2) .
C13 C18 1.41(2) .
C13 C14 1.43(2) .
C14 C15 1.35(2) .
C15 C16 1.38(3) .
C16 C17 1.34(3) .
C17 C18 1.37(2) .
C18 C19 1.43(2) .
C21 C22 1.42(4) .
C22 C23 1.38(4) .
C23 C24 1.60(3) .
C31 C32 1.540(17) .
C32 C33 1.508(17) .
C33 C34 1.548(18) .
C35 C36 1.50(2) .
C35 C37 1.96(7) .
C36 C37 1.49(2) .
C37 C38 1.51(2) .
C39 C40 1.50(2) .
C40 C41 1.49(2) .
C41 C42 1.52(2) .
C43 C44 1.505(18) .
C44 C45 1.483(18) .
C45 C46 1.500(19) .
C47 C48 1.480(18) .
C48 C49 1.421(19) .
C49 C50 1.471(18) .
C51 C52 1.522(18) .
C52 C52 1.33(6) 2
C53 C54 1.490(18) .
C54 C55 1.50(4) .
C55 C56 1.55(4) .
C1' C11' 1.497(18) .
C11' C19' 1.385(17) .
C11' C12' 1.413(18) .
C12' C13' 1.406(19) .
C13' C14' 1.397(19) .
C13' C18' 1.451(19) .
C14' C15' 1.35(2) .
C15' C16' 1.38(3) .
C16' C17' 1.36(2) .
C17' C18' 1.43(2) .
C18' C19' 1.400(19) .
C21' C22' 1.42(3) .
C22' C23' 1.43(3) .
C23' C24' 1.39(3) .
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_4
O1 Er1 Cl1 Er2 163.9(3) . .
B4 Er1 Cl1 Er2 -113.7(6) . .
C19' Er1 Cl1 Er2 36.0(3) . .
C18' Er1 Cl1 Er2 57.3(4) . .
C12' Er1 Cl1 Er2 82.0(3) . .
C1 Er1 Cl1 Er2 -54.4(3) . .
C13' Er1 Cl1 Er2 89.7(3) . .
B5 Er1 Cl1 Er2 -115.3(4) . .
C11' Er1 Cl1 Er2 51.5(3) . .
C3 Er1 Cl1 Er2 -59.1(5) . .
B6 Er1 Cl1 Er2 -87.2(4) . .
O1' Er2 Cl1 Er1 162.7(3) . .
B4' Er2 Cl1 Er1 -112.1(6) . .
C19 Er2 Cl1 Er1 34.8(3) . .
C18 Er2 Cl1 Er1 57.1(5) . .
C12 Er2 Cl1 Er1 81.8(4) . .
C13 Er2 Cl1 Er1 88.2(4) . .
C11 Er2 Cl1 Er1 51.2(3) . .
C1' Er2 Cl1 Er1 -55.4(3) . .
B5' Er2 Cl1 Er1 -116.8(4) . .
C3' Er2 Cl1 Er1 -60.5(5) . .
B2' Er2 Cl1 Er1 -43.4(3) . .
O1 Er1 B2 C1 82.8(13) . .
B4 Er1 B2 C1 105.5(10) . .
Cl1 Er1 B2 C1 -24.4(9) . .
C19' Er1 B2 C1 -125.2(9) . .
C18' Er1 B2 C1 -153.8(9) . .
C12' Er1 B2 C1 -118.2(9) . .
C13' Er1 B2 C1 -153.0(8) . .
B5 Er1 B2 C1 67.1(9) . .
C11' Er1 B2 C1 -104.4(9) . .
C3 Er1 B2 C1 133.8(14) . .
B6 Er1 B2 C1 30.5(8) . .
O1 Er1 B2 C3 -51.1(15) . .
B4 Er1 B2 C3 -28.3(9) . .
Cl1 Er1 B2 C3 -158.2(8) . .
C19' Er1 B2 C3 101.0(9) . .
C18' Er1 B2 C3 72.3(9) . .
C12' Er1 B2 C3 108.0(9) . .
C1 Er1 B2 C3 -133.8(14) . .
C13' Er1 B2 C3 73.2(10) . .
B5 Er1 B2 C3 -66.8(9) . .
C11' Er1 B2 C3 121.8(9) . .
B6 Er1 B2 C3 -103.4(10) . .
O1 Er1 B2 B8 -20.7(19) . .
B4 Er1 B2 B8 2.0(11) . .
Cl1 Er1 B2 B8 -127.9(11) . .
C19' Er1 B2 B8 131.3(12) . .
C18' Er1 B2 B8 102.7(12) . .
C12' Er1 B2 B8 138.3(11) . .
C1 Er1 B2 B8 -103.5(16) . .
C13' Er1 B2 B8 103.5(12) . .
B5 Er1 B2 B8 -36.4(12) . .
C11' Er1 B2 B8 152.1(12) . .
C3 Er1 B2 B8 30.3(10) . .
B6 Er1 B2 B8 -73.0(12) . .
O1 Er1 B4 B5 76.5(10) . .
Cl1 Er1 B4 B5 -2.6(12) . .
C19' Er1 B4 B5 -149.7(9) . .
C18' Er1 B4 B5 -175.6(9) . .
C12' Er1 B4 B5 152.3(9) . .
C1 Er1 B4 B5 -61.3(9) . .
C13' Er1 B4 B5 154.5(9) . .
C11' Er1 B4 B5 -156.1(9) . .
C3 Er1 B4 B5 -119.6(13) . .
B6 Er1 B4 B5 -30.5(9) . .
O1 Er1 B4 C3 -163.9(8) . .
Cl1 Er1 B4 C3 116.9(8) . .
C19' Er1 B4 C3 -30.1(10) . .
C18' Er1 B4 C3 -56.0(8) . .
C12' Er1 B4 C3 -88.2(10) . .
C1 Er1 B4 C3 58.2(8) . .
C13' Er1 B4 C3 -86.0(8) . .
B5 Er1 B4 C3 119.6(13) . .
C11' Er1 B4 C3 -36.5(13) . .
B6 Er1 B4 C3 89.1(9) . .
O1 Er1 B4 B10 89.0(17) . .
Cl1 Er1 B4 B10 10(2) . .
C19' Er1 B4 B10 -137.2(16) . .
C18' Er1 B4 B10 -163.1(17) . .
C12' Er1 B4 B10 164.7(14) . .
C1 Er1 B4 B10 -48.9(17) . .
C13' Er1 B4 B10 166.9(16) . .
B5 Er1 B4 B10 12.5(14) . .
C11' Er1 B4 B10 -143.6(15) . .
C3 Er1 B4 B10 -107.1(19) . .
B6 Er1 B4 B10 -18.0(16) . .
O1 Er1 B4 B9 -175.6(18) . .
Cl1 Er1 B4 B9 105.2(17) . .
C19' Er1 B4 B9 -41.8(19) . .
C18' Er1 B4 B9 -67.7(18) . .
C12' Er1 B4 B9 -99.8(18) . .
C1 Er1 B4 B9 46.6(17) . .
C13' Er1 B4 B9 -97.6(17) . .
B5 Er1 B4 B9 108(2) . .
C11' Er1 B4 B9 -48(2) . .
C3 Er1 B4 B9 -11.7(14) . .
B6 Er1 B4 B9 77.4(17) . .
C3 B4 B5 B10 97.5(15) . .
B9 B4 B5 B10 33.4(15) . .
Er1 B4 B5 B10 169.1(12) . .
C3 B4 B5 B11 56.2(18) . .
B10 B4 B5 B11 -41.3(14) . .
B9 B4 B5 B11 -8.0(19) . .
Er1 B4 B5 B11 127.8(13) . .
C3 B4 B5 B6 -12.9(19) . .
B10 B4 B5 B6 -110.4(16) . .
B9 B4 B5 B6 -77.0(17) . .
Er1 B4 B5 B6 58.7(12) . .
C3 B4 B5 Er1 -71.6(10) . .
B10 B4 B5 Er1 -169.1(12) . .
B9 B4 B5 Er1 -135.7(14) . .
O1 Er1 B5 B4 -100.7(10) . .
Cl1 Er1 B5 B4 178.0(9) . .
C19' Er1 B5 B4 51.7(13) . .
C18' Er1 B5 B4 6.1(13) . .
C12' Er1 B5 B4 -92(2) . .
C1 Er1 B5 B4 106.5(11) . .
C13' Er1 B5 B4 -40.6(14) . .
C11' Er1 B5 B4 110(2) . .
C3 Er1 B5 B4 36.8(9) . .
B6 Er1 B5 B4 129.4(14) . .
O1 Er1 B5 B10 -114.4(17) . .
B4 Er1 B5 B10 -13.7(15) . .
Cl1 Er1 B5 B10 164.4(16) . .
C19' Er1 B5 B10 38(2) . .
C18' Er1 B5 B10 -8(2) . .
C12' Er1 B5 B10 -106(2) . .
C1 Er1 B5 B10 92.8(17) . .
C13' Er1 B5 B10 -54(2) . .
C11' Er1 B5 B10 96(2) . .
C3 Er1 B5 B10 23.2(15) . .
B6 Er1 B5 B10 116(2) . .
O1 Er1 B5 B11 161.1(18) . .
B4 Er1 B5 B11 -98(2) . .
Cl1 Er1 B5 B11 79.9(17) . .
C19' Er1 B5 B11 -46(2) . .
C18' Er1 B5 B11 -92.0(18) . .
C12' Er1 B5 B11 169.4(15) . .
C1 Er1 B5 B11 8.3(16) . .
C13' Er1 B5 B11 -138.7(15) . .
C11' Er1 B5 B11 12(3) . .
C3 Er1 B5 B11 -61.3(17) . .
B6 Er1 B5 B11 31.3(15) . .
O1 Er1 B5 B6 129.8(9) . .
B4 Er1 B5 B6 -129.4(14) . .
Cl1 Er1 B5 B6 48.6(9) . .
C19' Er1 B5 B6 -77.8(12) . .
C18' Er1 B5 B6 -123.3(9) . .
C12' Er1 B5 B6 138.1(15) . .
C1 Er1 B5 B6 -23.0(8) . .
C13' Er1 B5 B6 -170.0(8) . .
C11' Er1 B5 B6 -19(3) . .
C3 Er1 B5 B6 -92.6(10) . .
B4 B5 B6 C1 -10(2) . .
B10 B5 B6 C1 -88.0(19) . .
B11 B5 B6 C1 -111.1(17) . .
Er1 B5 B6 C1 43.1(12) . .
B4 B5 B6 B11 101.5(17) . .
B10 B5 B6 B11 23.0(17) . .
Er1 B5 B6 B11 154.2(13) . .
B4 B5 B6 B7 52.9(15) . .
B10 B5 B6 B7 -25.5(19) . .
B11 B5 B6 B7 -48.6(13) . .
Er1 B5 B6 B7 105.6(9) . .
B4 B5 B6 Er1 -52.7(11) . .
B10 B5 B6 Er1 -131.1(17) . .
B11 B5 B6 Er1 -154.2(13) . .
O1 Er1 B6 C1 169.5(8) . .
B4 Er1 B6 C1 -108.1(10) . .
Cl1 Er1 B6 C1 93.1(8) . .
C19' Er1 B6 C1 -2.4(11) . .
C18' Er1 B6 C1 -38.6(13) . .
C12' Er1 B6 C1 68.0(14) . .
C13' Er1 B6 C1 -61(5) . .
B5 Er1 B6 C1 -138.5(14) . .
C11' Er1 B6 C1 35.5(11) . .
C3 Er1 B6 C1 -67.3(9) . .
O1 Er1 B6 B5 -52.0(10) . .
B4 Er1 B6 B5 30.5(10) . .
Cl1 Er1 B6 B5 -128.4(9) . .
C19' Er1 B6 B5 136.1(9) . .
C18' Er1 B6 B5 99.9(11) . .
C12' Er1 B6 B5 -153.5(11) . .
C1 Er1 B6 B5 138.5(14) . .
C13' Er1 B6 B5 78(4) . .
C11' Er1 B6 B5 174.0(8) . .
C3 Er1 B6 B5 71.2(10) . .
O1 Er1 B6 B11 -76.7(13) . .
B4 Er1 B6 B11 5.7(13) . .
Cl1 Er1 B6 B11 -153.1(13) . .
C19' Er1 B6 B11 111.4(13) . .
C18' Er1 B6 B11 75.2(15) . .
C12' Er1 B6 B11 -178.3(11) . .
C1 Er1 B6 B11 113.8(16) . .
C13' Er1 B6 B11 53(5) . .
B5 Er1 B6 B11 -24.7(13) . .
C11' Er1 B6 B11 149.3(12) . .
C3 Er1 B6 B11 46.5(13) . .
O1 Er1 B6 B7 -144.2(9) . .
B4 Er1 B6 B7 -61.8(10) . .
Cl1 Er1 B6 B7 139.4(10) . .
C19' Er1 B6 B7 43.9(12) . .
C18' Er1 B6 B7 7.7(15) . .
C12' Er1 B6 B7 114.3(12) . .
C1 Er1 B6 B7 46.3(9) . .
C13' Er1 B6 B7 -14(5) . .
B5 Er1 B6 B7 -92.2(13) . .
C11' Er1 B6 B7 81.8(11) . .
C3 Er1 B6 B7 -21.0(9) . .
B5 B6 B7 C1 -116.4(13) . .
B11 B6 B7 C1 -162.2(14) . .
Er1 B6 B7 C1 -48.9(8) . .
C1 B6 B7 B12 136.4(13) . .
B5 B6 B7 B12 20.0(14) . .
B11 B6 B7 B12 -25.8(13) . .
Er1 B6 B7 B12 87.5(12) . .
C1 B6 B7 B8 77.6(15) . .
B5 B6 B7 B8 -38.8(17) . .
B11 B6 B7 B8 -84.6(16) . .
Er1 B6 B7 B8 28.7(17) . .
C1 B6 B7 B11 162.2(14) . .
B5 B6 B7 B11 45.8(12) . .
Er1 B6 B7 B11 113.3(12) . .
C1 B2 B8 C3 -107.5(16) . .
Er1 B2 B8 C3 -33.8(11) . .
C1 B2 B8 B12 -19(2) . .
C3 B2 B8 B12 88.5(17) . .
Er1 B2 B8 B12 54.7(17) . .
C1 B2 B8 B9 -88.1(17) . .
C3 B2 B8 B9 19.4(14) . .
Er1 B2 B8 B9 -14.4(19) . .
C1 B2 B8 B7 14.3(13) . .
C3 B2 B8 B7 121.8(14) . .
Er1 B2 B8 B7 88.0(12) . .
C1 B7 B8 C3 33.8(16) . .
B12 B7 B8 C3 -100.1(16) . .
B11 B7 B8 C3 -72.8(15) . .
B6 B7 B8 C3 -15(2) . .
C1 B7 B8 B12 133.8(14) . .
B11 B7 B8 B12 27.3(12) . .
B6 B7 B8 B12 85.1(16) . .
C1 B7 B8 B9 94.9(14) . .
B12 B7 B8 B9 -38.9(13) . .
B11 B7 B8 B9 -11.6(15) . .
B6 B7 B8 B9 46.2(19) . .
C1 B7 B8 B2 -12.0(11) . .
B12 B7 B8 B2 -145.8(15) . .
B11 B7 B8 B2 -118.5(13) . .
B6 B7 B8 B2 -60.7(15) . .
B12 B8 B9 C3 -129.1(15) . .
B2 B8 B9 C3 -18.6(14) . .
B7 B8 B9 C3 -91.1(13) . .
C3 B8 B9 B12 129.1(15) . .
B2 B8 B9 B12 110.5(17) . .
B7 B8 B9 B12 38.0(13) . .
C3 B8 B9 B4 38.2(12) . .
B12 B8 B9 B4 -90.9(15) . .
B2 B8 B9 B4 19.6(19) . .
B7 B8 B9 B4 -52.9(16) . .
C3 B8 B9 B10 98.6(14) . .
B12 B8 B9 B10 -30.5(13) . .
B2 B8 B9 B10 80.0(17) . .
B7 B8 B9 B10 7.5(16) . .
B5 B4 B9 C3 108.3(15) . .
B10 B4 B9 C3 139.2(14) . .
Er1 B4 B9 C3 13.5(16) . .
B5 B4 B9 B8 70.1(17) . .
C3 B4 B9 B8 -38.2(12) . .
B10 B4 B9 B8 101.0(15) . .
Er1 B4 B9 B8 -25(2) . .
B5 B4 B9 B12 11.6(19) . .
C3 B4 B9 B12 -96.7(15) . .
B10 B4 B9 B12 42.5(14) . .
Er1 B4 B9 B12 -83(2) . .
B5 B4 B9 B10 -30.9(14) . .
C3 B4 B9 B10 -139.2(14) . .
Er1 B4 B9 B10 -125.7(19) . .
B4 B5 B10 B11 -134.9(17) . .
B6 B5 B10 B11 -23.6(17) . .
Er1 B5 B10 B11 -121.5(18) . .
B4 B5 B10 B12 -92.3(17) . .
B11 B5 B10 B12 42.6(15) . .
B6 B5 B10 B12 19(2) . .
Er1 B5 B10 B12 -78.9(19) . .
B11 B5 B10 B4 134.9(17) . .
B6 B5 B10 B4 111.3(17) . .
Er1 B5 B10 B4 13.4(15) . .
B4 B5 B10 B9 -30.7(14) . .
B11 B5 B10 B9 104.2(17) . .
B6 B5 B10 B9 80.7(18) . .
Er1 B5 B10 B9 -17(2) . .
C3 B4 B10 B5 -108.4(15) . .
B9 B4 B10 B5 -144.8(16) . .
Er1 B4 B10 B5 -14.7(17) . .
B5 B4 B10 B11 40.1(15) . .
C3 B4 B10 B11 -68.3(19) . .
B9 B4 B10 B11 -104.7(17) . .
Er1 B4 B10 B11 25(2) . .
B5 B4 B10 B12 99.9(16) . .
C3 B4 B10 B12 -8.5(18) . .
B9 B4 B10 B12 -44.9(14) . .
Er1 B4 B10 B12 85.2(19) . .
B5 B4 B10 B9 144.8(16) . .
C3 B4 B10 B9 36.4(13) . .
Er1 B4 B10 B9 130.1(18) . .
C3 B9 B10 B5 -5.2(18) . .
B8 B9 B10 B5 -65.2(16) . .
B12 B9 B10 B5 -96.3(16) . .
B4 B9 B10 B5 29.7(13) . .
C3 B9 B10 B11 60.0(18) . .
B8 B9 B10 B11 0.1(18) . .
B12 B9 B10 B11 -31.1(14) . .
B4 B9 B10 B11 95.0(16) . .
C3 B9 B10 B12 91.1(15) . .
B8 B9 B10 B12 31.2(13) . .
B4 B9 B10 B12 126.0(15) . .
C3 B9 B10 B4 -34.9(12) . .
B8 B9 B10 B4 -94.8(14) . .
B12 B9 B10 B4 -126.0(15) . .
B5 B10 B11 B12 129.5(17) . .
B4 B10 B11 B12 92.4(17) . .
B9 B10 B11 B12 31.4(14) . .
B12 B10 B11 B5 -129.5(17) . .
B4 B10 B11 B5 -37.1(14) . .
B9 B10 B11 B5 -98.1(16) . .
B5 B10 B11 B6 22.6(17) . .
B12 B10 B11 B6 -106.8(19) . .
B4 B10 B11 B6 -14(2) . .
B9 B10 B11 B6 -75.5(19) . .
B5 B10 B11 B7 90.4(15) . .
B12 B10 B11 B7 -39.0(14) . .
B4 B10 B11 B7 53.3(18) . .
B9 B10 B11 B7 -7.7(19) . .
B4 B5 B11 B10 45.2(16) . .
B6 B5 B11 B10 156.3(18) . .
Er1 B5 B11 B10 121.2(19) . .
B4 B5 B11 B12 0(2) . .
B10 B5 B11 B12 -45.4(16) . .
B6 B5 B11 B12 110.9(17) . .
Er1 B5 B11 B12 75.8(19) . .
B4 B5 B11 B6 -111.1(15) . .
B10 B5 B11 B6 -156.3(18) . .
Er1 B5 B11 B6 -35.1(16) . .
B4 B5 B11 B7 -62.2(16) . .
B10 B5 B11 B7 -107.4(17) . .
B6 B5 B11 B7 48.9(12) . .
Er1 B5 B11 B7 14(2) . .
C1 B6 B11 B10 83(2) . .
B5 B6 B11 B10 -22.1(16) . .
B7 B6 B11 B10 101.0(19) . .
Er1 B6 B11 B10 5(2) . .
C1 B6 B11 B12 12(2) . .
B5 B6 B11 B12 -92.8(18) . .
B7 B6 B11 B12 30.3(15) . .
Er1 B6 B11 B12 -66.0(19) . .
C1 B6 B11 B5 104.9(17) . .
B7 B6 B11 B5 123.2(14) . .
Er1 B6 B11 B5 26.9(13) . .
C1 B6 B11 B7 -18.3(14) . .
B5 B6 B11 B7 -123.2(14) . .
Er1 B6 B11 B7 -96.3(11) . .
C1 B7 B11 B10 -94.3(15) . .
B12 B7 B11 B10 40.3(14) . .
B8 B7 B11 B10 11.9(17) . .
B6 B7 B11 B10 -107.9(16) . .
C1 B7 B11 B12 -134.6(13) . .
B8 B7 B11 B12 -28.5(12) . .
B6 B7 B11 B12 -148.3(15) . .
C1 B7 B11 B5 -34.2(15) . .
B12 B7 B11 B5 100.5(16) . .
B8 B7 B11 B5 72.0(14) . .
B6 B7 B11 B5 -47.8(12) . .
C1 B7 B11 B6 13.6(11) . .
B12 B7 B11 B6 148.3(15) . .
B8 B7 B11 B6 119.8(12) . .
B5 B11 B12 B10 42.7(14) . .
B6 B11 B12 B10 106.4(18) . .
B7 B11 B12 B10 137.3(14) . .
B10 B11 B12 B8 -102.3(19) . .
B5 B11 B12 B8 -60(2) . .
B6 B11 B12 B8 4(3) . .
B7 B11 B12 B8 34.9(16) . .
B10 B11 B12 B9 -34.2(17) . .
B5 B11 B12 B9 9(2) . .
B6 B11 B12 B9 72(2) . .
B7 B11 B12 B9 103.0(17) . .
B10 B11 B12 B7 -137.3(14) . .
B5 B11 B12 B7 -94.5(13) . .
B6 B11 B12 B7 -30.9(14) . .
B5 B10 B12 B11 -44.4(15) . .
B4 B10 B12 B11 -101.1(15) . .
B9 B10 B12 B11 -145.3(16) . .
B5 B10 B12 B8 67(2) . .
B11 B10 B12 B8 111.0(18) . .
B4 B10 B12 B8 10(2) . .
B9 B10 B12 B8 -34.3(15) . .
B5 B10 B12 B9 100.9(16) . .
B11 B10 B12 B9 145.3(16) . .
B4 B10 B12 B9 44.2(13) . .
B5 B10 B12 B7 -3(2) . .
B11 B10 B12 B7 41.6(15) . .
B4 B10 B12 B7 -59.6(19) . .
B9 B10 B12 B7 -103.8(16) . .
C3 B8 B12 B11 59(2) . .
B9 B8 B12 B11 102.1(19) . .
B2 B8 B12 B11 0(2) . .
B7 B8 B12 B11 -35.8(16) . .
C3 B8 B12 B10 -8(2) . .
B9 B8 B12 B10 35.9(16) . .
B2 B8 B12 B10 -66(2) . .
B7 B8 B12 B10 -101.9(17) . .
C3 B8 B12 B9 -43.5(12) . .
B2 B8 B12 B9 -102.1(16) . .
B7 B8 B12 B9 -137.8(14) . .
C3 B8 B12 B7 94.3(13) . .
B9 B8 B12 B7 137.8(14) . .
B2 B8 B12 B7 35.8(14) . .
C3 B9 B12 B11 -70(2) . .
B8 B9 B12 B11 -112.0(18) . .
B4 B9 B12 B11 -12(2) . .
B10 B9 B12 B11 31.9(16) . .
C3 B9 B12 B10 -102.3(15) . .
B8 B9 B12 B10 -143.9(15) . .
B4 B9 B12 B10 -44.1(13) . .
C3 B9 B12 B8 41.6(13) . .
B4 B9 B12 B8 99.8(14) . .
B10 B9 B12 B8 143.9(15) . .
C3 B9 B12 B7 2(2) . .
B8 B9 B12 B7 -39.9(15) . .
B4 B9 B12 B7 59.8(19) . .
B10 B9 B12 B7 104.0(17) . .
C1 B7 B12 B11 72(2) . .
B8 B7 B12 B11 146.3(15) . .
B6 B7 B12 B11 26.5(13) . .
C1 B7 B12 B10 34(3) . .
B8 B7 B12 B10 108.2(17) . .
B11 B7 B12 B10 -38.1(15) . .
B6 B7 B12 B10 -11.5(19) . .
C1 B7 B12 B8 -75(2) . .
B11 B7 B12 B8 -146.3(15) . .
B6 B7 B12 B8 -119.8(12) . .
C1 B7 B12 B9 -36(3) . .
B8 B7 B12 B9 38.5(15) . .
B11 B7 B12 B9 -107.8(19) . .
B6 B7 B12 B9 -81.3(18) . .
O1' Er2 B2' C1' 83.0(11) . .
B4' Er2 B2' C1' 109.7(9) . .
C19 Er2 B2' C1' -123.3(8) . .
Cl1 Er2 B2' C1' -22.3(8) . .
C18 Er2 B2' C1' -152.5(8) . .
C12 Er2 B2' C1' -116.2(8) . .
C13 Er2 B2' C1' -151.7(7) . .
C11 Er2 B2' C1' -102.4(8) . .
B5' Er2 B2' C1' 69.1(8) . .
C3' Er2 B2' C1' 136.8(12) . .
O1' Er2 B2' C3' -53.8(12) . .
B4' Er2 B2' C3' -27.0(7) . .
C19 Er2 B2' C3' 99.9(8) . .
Cl1 Er2 B2' C3' -159.1(6) . .
C18 Er2 B2' C3' 70.7(7) . .
C12 Er2 B2' C3' 107.0(8) . .
C13 Er2 B2' C3' 71.5(8) . .
C11 Er2 B2' C3' 120.8(7) . .
C1' Er2 B2' C3' -136.8(12) . .
B5' Er2 B2' C3' -67.7(8) . .
O1' Er2 B2' B8' -23.0(15) . .
B4' Er2 B2' B8' 3.7(9) . .
C19 Er2 B2' B8' 130.7(10) . .
Cl1 Er2 B2' B8' -128.3(9) . .
C18 Er2 B2' B8' 101.5(10) . .
C12 Er2 B2' B8' 137.8(9) . .
C13 Er2 B2' B8' 102.3(10) . .
C11 Er2 B2' B8' 151.6(10) . .
C1' Er2 B2' B8' -106.0(13) . .
B5' Er2 B2' B8' -36.9(10) . .
C3' Er2 B2' B8' 30.8(9) . .
O1' Er2 B4' C3' -165.8(8) . .
C19 Er2 B4' C3' -31.3(9) . .
Cl1 Er2 B4' C3' 113.6(7) . .
C18 Er2 B4' C3' -58.0(9) . .
C12 Er2 B4' C3' -88.4(11) . .
C13 Er2 B4' C3' -86.2(9) . .
C11 Er2 B4' C3' -37.9(13) . .
C1' Er2 B4' C3' 56.8(8) . .
B5' Er2 B4' C3' 121.0(12) . .
B2' Er2 B4' C3' 25.9(7) . .
O1' Er2 B4' B5' 73.2(8) . .
C19 Er2 B4' B5' -152.3(8) . .
Cl1 Er2 B4' B5' -7.4(11) . .
C18 Er2 B4' B5' -179.1(8) . .
C12 Er2 B4' B5' 150.6(8) . .
C13 Er2 B4' B5' 152.8(8) . .
C11 Er2 B4' B5' -158.9(8) . .
C1' Er2 B4' B5' -64.2(8) . .
C3' Er2 B4' B5' -121.0(12) . .
B2' Er2 B4' B5' -95.1(9) . .
O1' Er2 B4' B9' 176.8(15) . .
C19 Er2 B4' B9' -48.7(16) . .
Cl1 Er2 B4' B9' 96.2(15) . .
C18 Er2 B4' B9' -75.4(16) . .
C12 Er2 B4' B9' -105.8(16) . .
C13 Er2 B4' B9' -103.5(16) . .
C11 Er2 B4' B9' -55.3(19) . .
C1' Er2 B4' B9' 39.4(15) . .
B5' Er2 B4' B9' 103.6(18) . .
C3' Er2 B4' B9' -17.4(12) . .
B2' Er2 B4' B9' 8.5(14) . .
O1' Er2 B4' B10' 84.9(15) . .
C19 Er2 B4' B10' -140.5(14) . .
Cl1 Er2 B4' B10' 4.3(18) . .
C18 Er2 B4' B10' -167.3(15) . .
C12 Er2 B4' B10' 162.4(12) . .
C13 Er2 B4' B10' 164.6(14) . .
C11 Er2 B4' B10' -147.1(12) . .
C1' Er2 B4' B10' -52.4(14) . .
B5' Er2 B4' B10' 11.8(12) . .
C3' Er2 B4' B10' -109.2(18) . .
B2' Er2 B4' B10' -83.3(15) . .
C3' B4' B5' B10' 96.7(14) . .
B9' B4' B5' B10' 33.9(12) . .
Er2 B4' B5' B10' 170.2(10) . .
C3' B4' B5' B11' 52.9(15) . .
B9' B4' B5' B11' -9.9(16) . .
B10' B4' B5' B11' -43.8(11) . .
Er2 B4' B5' B11' 126.4(10) . .
C3' B4' B5' B6' -12.8(17) . .
B9' B4' B5' B6' -75.7(14) . .
B10' B4' B5' B6' -109.6(13) . .
Er2 B4' B5' B6' 60.7(10) . .
C3' B4' B5' Er2 -73.5(11) . .
B9' B4' B5' Er2 -136.4(12) . .
B10' B4' B5' Er2 -170.2(10) . .
O1' Er2 B5' B4' -104.9(8) . .
C19 Er2 B5' B4' 47.8(12) . .
Cl1 Er2 B5' B4' 174.7(8) . .
C18 Er2 B5' B4' 1.3(11) . .
C12 Er2 B5' B4' -97.4(15) . .
C13 Er2 B5' B4' -43.6(12) . .
C11 Er2 B5' B4' 110(2) . .
C1' Er2 B5' B4' 102.4(9) . .
C3' Er2 B5' B4' 33.7(8) . .
B2' Er2 B5' B4' 68.8(8) . .
O1' Er2 B5' B10' -115.9(13) . .
B4' Er2 B5' B10' -11.1(11) . .
C19 Er2 B5' B10' 36.7(17) . .
Cl1 Er2 B5' B10' 163.6(12) . .
C18 Er2 B5' B10' -9.8(16) . .
C12 Er2 B5' B10' -108.5(17) . .
C13 Er2 B5' B10' -54.7(16) . .
C11 Er2 B5' B10' 99(2) . .
C1' Er2 B5' B10' 91.3(13) . .
C3' Er2 B5' B10' 22.6(12) . .
B2' Er2 B5' B10' 57.8(12) . .
O1' Er2 B5' B11' 162.2(12) . .
B4' Er2 B5' B11' -92.9(14) . .
C19 Er2 B5' B11' -45.1(16) . .
Cl1 Er2 B5' B11' 81.8(12) . .
C18 Er2 B5' B11' -91.6(13) . .
C12 Er2 B5' B11' 169.7(13) . .
C13 Er2 B5' B11' -136.5(12) . .
C11 Er2 B5' B11' 17(3) . .
C1' Er2 B5' B11' 9.5(11) . .
C3' Er2 B5' B11' -59.2(12) . .
B2' Er2 B5' B11' -24.1(11) . .
O1' Er2 B5' B6' 130.5(7) . .
B4' Er2 B5' B6' -124.7(12) . .
C19 Er2 B5' B6' -76.9(10) . .
Cl1 Er2 B5' B6' 50.0(7) . .
C18 Er2 B5' B6' -123.4(8) . .
C12 Er2 B5' B6' 137.9(13) . .
C13 Er2 B5' B6' -168.3(8) . .
C11 Er2 B5' B6' -15(2) . .
C1' Er2 B5' B6' -22.3(7) . .
C3' Er2 B5' B6' -91.0(8) . .
B2' Er2 B5' B6' -55.8(7) . .
B4' B5' B6' C1' -10.3(17) . .
B10' B5' B6' C1' -81.8(16) . .
B11' B5' B6' C1' -109.0(14) . .
Er2 B5' B6' C1' 43.7(11) . .
B4' B5' B6' B11' 98.7(13) . .
B10' B5' B6' B11' 27.2(12) . .
Er2 B5' B6' B11' 152.6(9) . .
B4' B5' B6' B7' 51.9(13) . .
B10' B5' B6' B7' -19.7(14) . .
B11' B5' B6' B7' -46.8(10) . .
Er2 B5' B6' B7' 105.8(8) . .
B4' B5' B6' Er2 -53.9(9) . .
B10' B5' B6' Er2 -125.5(12) . .
B11' B5' B6' Er2 -152.6(9) . .
O1' Er2 B6' C1' 169.2(7) . .
B4' Er2 B6' C1' -105.1(9) . .
C19 Er2 B6' C1' -2.4(10) . .
Cl1 Er2 B6' C1' 93.7(7) . .
C18 Er2 B6' C1' -39.0(11) . .
C12 Er2 B6' C1' 69.5(13) . .
C13 Er2 B6' C1' -56(4) . .
C11 Er2 B6' C1' 36.4(10) . .
B5' Er2 B6' C1' -139.3(11) . .
C3' Er2 B6' C1' -67.1(7) . .
B2' Er2 B6' C1' -32.3(7) . .
O1' Er2 B6' B11' -77.8(10) . .
B4' Er2 B6' B11' 7.8(10) . .
C19 Er2 B6' B11' 110.6(10) . .
Cl1 Er2 B6' B11' -153.4(10) . .
C18 Er2 B6' B11' 73.9(12) . .
C12 Er2 B6' B11' -177.6(10) . .
C13 Er2 B6' B11' 57(4) . .
C11 Er2 B6' B11' 149.4(9) . .
C1' Er2 B6' B11' 112.9(13) . .
B5' Er2 B6' B11' -26.3(9) . .
C3' Er2 B6' B11' 45.8(10) . .
B2' Er2 B6' B11' 80.6(10) . .
O1' Er2 B6' B5' -51.5(8) . .
B4' Er2 B6' B5' 34.1(8) . .
C19 Er2 B6' B5' 136.9(7) . .
Cl1 Er2 B6' B5' -127.1(7) . .
C18 Er2 B6' B5' 100.3(9) . .
C12 Er2 B6' B5' -151.2(10) . .
C13 Er2 B6' B5' 84(4) . .
C11 Er2 B6' B5' 175.7(7) . .
C1' Er2 B6' B5' 139.3(11) . .
C3' Er2 B6' B5' 72.1(7) . .
B2' Er2 B6' B5' 107.0(9) . .
O1' Er2 B6' B7' -144.8(8) . .
B4' Er2 B6' B7' -59.2(9) . .
C19 Er2 B6' B7' 43.6(10) . .
Cl1 Er2 B6' B7' 139.7(9) . .
C18 Er2 B6' B7' 7.0(13) . .
C12 Er2 B6' B7' 115.5(12) . .
C13 Er2 B6' B7' -10(4) . .
C11 Er2 B6' B7' 82.4(10) . .
C1' Er2 B6' B7' 46.0(8) . .
B5' Er2 B6' B7' -93.3(11) . .
C3' Er2 B6' B7' -21.2(8) . .
B2' Er2 B6' B7' 13.7(8) . .
B11' B6' B7' C1' -162.5(13) . .
B5' B6' B7' C1' -117.7(12) . .
Er2 B6' B7' C1' -49.6(8) . .
C1' B6' B7' B12' 135.5(12) . .
B11' B6' B7' B12' -27.0(11) . .
B5' B6' B7' B12' 17.8(13) . .
Er2 B6' B7' B12' 85.9(10) . .
C1' B6' B7' B8' 78.3(13) . .
B11' B6' B7' B8' -84.2(14) . .
B5' B6' B7' B8' -39.4(15) . .
Er2 B6' B7' B8' 28.7(14) . .
C1' B6' B7' B11' 162.5(13) . .
B5' B6' B7' B11' 44.8(10) . .
Er2 B6' B7' B11' 112.9(10) . .
C1' B2' B8' B12' -22(2) . .
C3' B2' B8' B12' 90.6(15) . .
Er2 B2' B8' B12' 56.3(17) . .
C1' B2' B8' C3' -112.9(14) . .
Er2 B2' B8' C3' -34.3(9) . .
C1' B2' B8' B9' -91.7(15) . .
C3' B2' B8' B9' 21.2(11) . .
Er2 B2' B8' B9' -13.1(15) . .
C1' B2' B8' B7' 12.3(12) . .
C3' B2' B8' B7' 125.2(11) . .
Er2 B2' B8' B7' 90.8(10) . .
C1' B7' B8' B12' 136.5(13) . .
B11' B7' B8' B12' 31.0(11) . .
B6' B7' B8' B12' 88.4(14) . .
C1' B7' B8' C3' 33.8(13) . .
B12' B7' B8' C3' -102.7(13) . .
B11' B7' B8' C3' -71.7(12) . .
B6' B7' B8' C3' -14.3(16) . .
C1' B7' B8' B9' 94.0(14) . .
B12' B7' B8' B9' -42.5(12) . .
B11' B7' B8' B9' -11.4(15) . .
B6' B7' B8' B9' 45.9(17) . .
C1' B7' B8' B2' -9.9(10) . .
B12' B7' B8' B2' -146.3(13) . .
B11' B7' B8' B2' -115.3(11) . .
B6' B7' B8' B2' -58.0(12) . .
B12' B8' B9' C3' -135.0(12) . .
B2' B8' B9' C3' -20.6(11) . .
B7' B8' B9' C3' -92.7(12) . .
C3' B8' B9' B12' 135.0(12) . .
B2' B8' B9' B12' 114.4(13) . .
B7' B8' B9' B12' 42.2(11) . .
B12' B8' B9' B4' -98.9(13) . .
C3' B8' B9' B4' 36.0(10) . .
B2' B8' B9' B4' 15.4(15) . .
B7' B8' B9' B4' -56.7(15) . .
B12' B8' B9' B10' -33.4(13) . .
C3' B8' B9' B10' 101.6(13) . .
B2' B8' B9' B10' 81.0(15) . .
B7' B8' B9' B10' 8.9(17) . .
B5' B4' B9' C3' 111.6(13) . .
B10' B4' B9' C3' 145.2(13) . .
Er2 B4' B9' C3' 20.4(14) . .
C3' B4' B9' B8' -38.1(11) . .
B5' B4' B9' B8' 73.5(15) . .
B10' B4' B9' B8' 107.1(13) . .
Er2 B4' B9' B8' -18(2) . .
C3' B4' B9' B12' -96.9(13) . .
B5' B4' B9' B12' 14.7(16) . .
B10' B4' B9' B12' 48.3(12) . .
Er2 B4' B9' B12' -76.5(18) . .
C3' B4' B9' B10' -145.2(13) . .
B5' B4' B9' B10' -33.5(12) . .
Er2 B4' B9' B10' -124.7(16) . .
B4' B5' B10' B9' -32.9(12) . .
B11' B5' B10' B9' 98.7(14) . .
B6' B5' B10' B9' 71.6(15) . .
Er2 B5' B10' B9' -21.8(17) . .
B4' B5' B10' B11' -131.5(13) . .
B6' B5' B10' B11' -27.1(12) . .
Er2 B5' B10' B11' -120.4(13) . .
B11' B5' B10' B4' 131.5(13) . .
B6' B5' B10' B4' 104.5(13) . .
Er2 B5' B10' B4' 11.1(11) . .
B4' B5' B10' B12' -91.3(12) . .
B11' B5' B10' B12' 40.2(11) . .
B6' B5' B10' B12' 13.2(15) . .
Er2 B5' B10' B12' -80.2(13) . .
C3' B9' B10' B5' 2.1(17) . .
B8' B9' B10' B5' -63.5(16) . .
B12' B9' B10' B5' -94.2(13) . .
B4' B9' B10' B5' 32.5(11) . .
C3' B9' B10' B11' 63.7(15) . .
B8' B9' B10' B11' -1.9(17) . .
B12' B9' B10' B11' -32.6(11) . .
B4' B9' B10' B11' 94.1(13) . .
C3' B9' B10' B4' -30.4(12) . .
B8' B9' B10' B4' -96.0(14) . .
B12' B9' B10' B4' -126.7(12) . .
C3' B9' B10' B12' 96.3(13) . .
B8' B9' B10' B12' 30.8(12) . .
B4' B9' B10' B12' 126.7(12) . .
C3' B4' B10' B5' -111.4(13) . .
B9' B4' B10' B5' -142.2(13) . .
Er2 B4' B10' B5' -13.5(14) . .
C3' B4' B10' B9' 30.9(11) . .
B5' B4' B10' B9' 142.2(13) . .
Er2 B4' B10' B9' 128.8(16) . .
C3' B4' B10' B11' -70.5(14) . .
B5' B4' B10' B11' 40.9(11) . .
B9' B4' B10' B11' -101.3(13) . .
Er2 B4' B10' B11' 27.4(18) . .
C3' B4' B10' B12' -11.6(14) . .
B5' B4' B10' B12' 99.8(12) . .
B9' B4' B10' B12' -42.4(10) . .
Er2 B4' B10' B12' 86.3(15) . .
B4' B5' B11' B12' 1.2(15) . .
B10' B5' B11' B12' -43.9(12) . .
B6' B5' B11' B12' 108.4(13) . .
Er2 B5' B11' B12' 72.7(15) . .
B4' B5' B11' B10' 45.1(11) . .
B6' B5' B11' B10' 152.4(12) . .
Er2 B5' B11' B10' 116.6(13) . .
B4' B5' B11' B6' -107.2(12) . .
B10' B5' B11' B6' -152.4(12) . .
Er2 B5' B11' B6' -35.8(11) . .
B4' B5' B11' B7' -59.0(13) . .
B10' B5' B11' B7' -104.1(12) . .
B6' B5' B11' B7' 48.3(10) . .
Er2 B5' B11' B7' 12.5(16) . .
B9' B10' B11' B5' -100.0(13) . .
B4' B10' B11' B5' -40.0(10) . .
B12' B10' B11' B5' -132.0(12) . .
B5' B10' B11' B12' 132.0(12) . .
B9' B10' B11' B12' 32.0(11) . .
B4' B10' B11' B12' 92.0(12) . .
B5' B10' B11' B6' 26.5(12) . .
B9' B10' B11' B6' -73.5(15) . .
B4' B10' B11' B6' -13.5(16) . .
B12' B10' B11' B6' -105.5(14) . .
B5' B10' B11' B7' 94.5(12) . .
B9' B10' B11' B7' -5.4(15) . .
B4' B10' B11' B7' 54.5(13) . .
B12' B10' B11' B7' -37.5(10) . .
C1' B6' B11' B5' 107.6(14) . .
B7' B6' B11' B5' 125.2(11) . .
Er2 B6' B11' B5' 28.5(9) . .
C1' B6' B11' B12' 11.1(19) . .
B5' B6' B11' B12' -96.5(13) . .
B7' B6' B11' B12' 28.7(11) . .
Er2 B6' B11' B12' -68.0(14) . .
C1' B6' B11' B10' 81.4(17) . .
B5' B6' B11' B10' -26.2(12) . .
B7' B6' B11' B10' 99.1(13) . .
Er2 B6' B11' B10' 2.4(16) . .
C1' B6' B11' B7' -17.6(12) . .
B5' B6' B11' B7' -125.2(11) . .
Er2 B6' B11' B7' -96.7(10) . .
C1' B7' B11' B5' -33.8(13) . .
B12' B7' B11' B5' 101.8(12) . .
B8' B7' B11' B5' 72.2(12) . .
B6' B7' B11' B5' -47.0(10) . .
C1' B7' B11' B12' -135.6(12) . .
B8' B7' B11' B12' -29.6(10) . .
B6' B7' B11' B12' -148.8(12) . .
C1' B7' B11' B10' -95.8(12) . .
B12' B7' B11' B10' 39.8(11) . .
B8' B7' B11' B10' 10.2(14) . .
B6' B7' B11' B10' -109.0(13) . .
C1' B7' B11' B6' 13.2(9) . .
B12' B7' B11' B6' 148.8(12) . .
B8' B7' B11' B6' 119.2(12) . .
C3' B8' B12' B9' -38.8(11) . .
B2' B8' B12' B9' -98.3(16) . .
B7' B8' B12' B9' -134.5(13) . .
C3' B8' B12' B11' 58.0(17) . .
B9' B8' B12' B11' 96.8(15) . .
B2' B8' B12' B11' -2(2) . .
B7' B8' B12' B11' -37.7(13) . .
C3' B8' B12' B7' 95.7(12) . .
B9' B8' B12' B7' 134.5(13) . .
B2' B8' B12' B7' 36.2(13) . .
C3' B8' B12' B10' -6.9(16) . .
B9' B8' B12' B10' 31.9(12) . .
B2' B8' B12' B10' -66.4(18) . .
B7' B8' B12' B10' -102.6(13) . .
C3' B9' B12' B8' 39.6(12) . .
B4' B9' B12' B8' 98.0(13) . .
B10' B9' B12' B8' 145.3(13) . .
C3' B9' B12' B11' -72.3(15) . .
B8' B9' B12' B11' -111.9(14) . .
B4' B9' B12' B11' -13.9(16) . .
B10' B9' B12' B11' 33.4(12) . .
C3' B9' B12' B7' -3.3(17) . .
B8' B9' B12' B7' -42.8(12) . .
B4' B9' B12' B7' 55.2(16) . .
B10' B9' B12' B7' 102.5(13) . .
C3' B9' B12' B10' -105.8(13) . .
B8' B9' B12' B10' -145.3(13) . .
B4' B9' B12' B10' -47.3(11) . .
B5' B11' B12' B8' -57.8(17) . .
B10' B11' B12' B8' -99.8(15) . .
B6' B11' B12' B8' 7.1(19) . .
B7' B11' B12' B8' 37.4(13) . .
B5' B11' B12' B9' 8.1(16) . .
B10' B11' B12' B9' -33.9(12) . .
B6' B11' B12' B9' 73.1(16) . .
B7' B11' B12' B9' 103.3(13) . .
B5' B11' B12' B7' -95.2(12) . .
B10' B11' B12' B7' -137.2(12) . .
B6' B11' B12' B7' -30.3(12) . .
B5' B11' B12' B10' 42.0(11) . .
B6' B11' B12' B10' 106.9(14) . .
B7' B11' B12' B10' 137.2(12) . .
C1' B7' B12' B8' -70.1(17) . .
B11' B7' B12' B8' -143.2(13) . .
B6' B7' B12' B8' -116.7(12) . .
C1' B7' B12' B9' -29(2) . .
B8' B7' B12' B9' 41.2(12) . .
B11' B7' B12' B9' -102.0(13) . .
B6' B7' B12' B9' -75.5(14) . .
C1' B7' B12' B11' 73.2(16) . .
B8' B7' B12' B11' 143.2(13) . .
B6' B7' B12' B11' 26.5(10) . .
C1' B7' B12' B10' 35(2) . .
B8' B7' B12' B10' 105.1(13) . .
B11' B7' B12' B10' -38.1(11) . .
B6' B7' B12' B10' -11.6(14) . .
B5' B10' B12' B8' 69.3(15) . .
B9' B10' B12' B8' -32.3(12) . .
B11' B10' B12' B8' 110.0(14) . .
B4' B10' B12' B8' 11.2(15) . .
B5' B10' B12' B9' 101.6(12) . .
B11' B10' B12' B9' 142.3(13) . .
B4' B10' B12' B9' 43.4(10) . .
B5' B10' B12' B11' -40.7(11) . .
B9' B10' B12' B11' -142.3(13) . .
B4' B10' B12' B11' -98.8(12) . .
B5' B10' B12' B7' 0.2(15) . .
B9' B10' B12' B7' -101.4(13) . .
B11' B10' B12' B7' 40.9(11) . .
B4' B10' B12' B7' -57.9(13) . .
B4 Er1 O1 C24 -163.9(16) . .
Cl1 Er1 O1 C24 -30.6(16) . .
C19' Er1 O1 C24 72.0(17) . .
C18' Er1 O1 C24 97.8(16) . .
C12' Er1 O1 C24 54.5(16) . .
C1 Er1 O1 C24 -91.5(16) . .
C13' Er1 O1 C24 85.4(16) . .
B5 Er1 O1 C24 -128.0(16) . .
C11' Er1 O1 C24 44.4(16) . .
C3 Er1 O1 C24 -176.0(15) . .
B6 Er1 O1 C24 -99.6(16) . .
B4 Er1 O1 C21 23.5(13) . .
Cl1 Er1 O1 C21 156.7(13) . .
C19' Er1 O1 C21 -100.7(13) . .
C18' Er1 O1 C21 -74.8(13) . .
C12' Er1 O1 C21 -118.2(13) . .
C1 Er1 O1 C21 95.8(13) . .
C13' Er1 O1 C21 -87.3(13) . .
B5 Er1 O1 C21 59.4(13) . .
C11' Er1 O1 C21 -128.2(12) . .
C3 Er1 O1 C21 11.3(14) . .
B6 Er1 O1 C21 87.8(13) . .
B4' Er2 O1' C24' -162.0(15) . .
C19 Er2 O1' C24' 74.9(16) . .
Cl1 Er2 O1' C24' -27.2(15) . .
C18 Er2 O1' C24' 101.3(15) . .
C12 Er2 O1' C24' 57.4(15) . .
C13 Er2 O1' C24' 88.9(15) . .
C11 Er2 O1' C24' 47.3(16) . .
C1' Er2 O1' C24' -88.2(16) . .
B5' Er2 O1' C24' -125.0(15) . .
C3' Er2 O1' C24' -172.1(15) . .
B2' Er2 O1' C24' -138.3(15) . .
B4' Er2 O1' C21' 14.0(14) . .
C19 Er2 O1' C21' -109.1(14) . .
Cl1 Er2 O1' C21' 148.8(14) . .
C18 Er2 O1' C21' -82.7(14) . .
C12 Er2 O1' C21' -126.6(14) . .
C13 Er2 O1' C21' -95.0(14) . .
C11 Er2 O1' C21' -136.7(13) . .
C1' Er2 O1' C21' 87.8(14) . .
B5' Er2 O1' C21' 51.0(14) . .
C3' Er2 O1' C21' 3.9(15) . .
B2' Er2 O1' C21' 37.7(18) . .
O3 Na1 O2 C34 -76(2) 7_566 .
O3 Na1 O2 C34 104(2) . .
O2 Na1 O2 C34 56(100) 7_566 .
O4 Na1 O2 C34 -163(2) 7_566 .
O4 Na1 O2 C34 17(2) . .
C38 Na1 O2 C34 122(3) . .
C38 Na1 O2 C34 -58(3) 7_566 .
O3 Na1 O2 C31 110(2) 7_566 .
O3 Na1 O2 C31 -70(2) . .
O2 Na1 O2 C31 -117(100) 7_566 .
O4 Na1 O2 C31 23(2) 7_566 .
O4 Na1 O2 C31 -157(2) . .
C38 Na1 O2 C31 -51(2) . .
C38 Na1 O2 C31 129(2) 7_566 .
O3 Na1 O3 C35 -96(100) 7_566 .
O2 Na1 O3 C35 151(2) . .
O2 Na1 O3 C35 -29(2) 7_566 .
O4 Na1 O3 C35 60(2) 7_566 .
O4 Na1 O3 C35 -120(2) . .
C38 Na1 O3 C35 112(3) . .
C38 Na1 O3 C35 -68(3) 7_566 .
O3 Na1 O3 C38 152(100) 7_566 .
O2 Na1 O3 C38 38(3) . .
O2 Na1 O3 C38 -142(3) 7_566 .
O4 Na1 O3 C38 -53(3) 7_566 .
O4 Na1 O3 C38 127(3) . .
C38 Na1 O3 C38 180.00(3) 7_566 .
O3 Na1 O4 C42 83(6) 7_566 .
O3 Na1 O4 C42 -97(6) . .
O2 Na1 O4 C42 -5(6) . .
O2 Na1 O4 C42 175(6) 7_566 .
O4 Na1 O4 C42 -128(100) 7_566 .
C38 Na1 O4 C42 -74(6) . .
C38 Na1 O4 C42 106(6) 7_566 .
O3 Na1 O4 C39 -129(3) 7_566 .
O3 Na1 O4 C39 51(3) . .
O2 Na1 O4 C39 143(3) . .
O2 Na1 O4 C39 -37(3) 7_566 .
O4 Na1 O4 C39 20(100) 7_566 .
C38 Na1 O4 C39 74(3) . .
C38 Na1 O4 C39 -106(3) 7_566 .
O7 Na2 O5 C43 51(3) . .
O5 Na2 O5 C43 -129(3) 2 .
O6 Na2 O5 C43 172(3) . .
O6 Na2 O5 C43 -70(3) 2 .
O7 Na2 O5 C46 -158(3) . .
O5 Na2 O5 C46 22(3) 2 .
O6 Na2 O5 C46 -37(3) . .
O6 Na2 O5 C46 81(3) 2 .
O7 Na2 O6 C47 26(2) . .
O5 Na2 O6 C47 -63(2) . .
O5 Na2 O6 C47 121(2) 2 .
O6 Na2 O6 C47 -154(2) 2 .
O7 Na2 O6 C50 -147(2) . .
O5 Na2 O6 C50 125(3) . .
O5 Na2 O6 C50 -52(3) 2 .
O6 Na2 O6 C50 33(2) 2 .
O5 Na2 O7 C51 59.7(17) . 2
O5 Na2 O7 C51 -120.3(17) 2 2
O6 Na2 O7 C51 -24.2(17) . 2
O6 Na2 O7 C51 155.8(17) 2 2
O5 Na2 O7 C51 -120.3(17) . .
O5 Na2 O7 C51 59.7(17) 2 .
O6 Na2 O7 C51 155.8(17) . .
O6 Na2 O7 C51 -24.2(17) 2 .
B5 B6 C1 C11 -164.7(12) . .
B11 B6 C1 C11 128.2(16) . .
B7 B6 C1 C11 109.8(13) . .
Er1 B6 C1 C11 -121.7(12) . .
B5 B6 C1 B2 31(2) . .
B11 B6 C1 B2 -36(2) . .
B7 B6 C1 B2 -54.8(14) . .
Er1 B6 C1 B2 73.6(12) . .
B5 B6 C1 B7 85.5(14) . .
B11 B6 C1 B7 18.4(14) . .
Er1 B6 C1 B7 128.4(8) . .
B5 B6 C1 Er1 -43.0(12) . .
B11 B6 C1 Er1 -110.1(14) . .
B7 B6 C1 Er1 -128.4(8) . .
C3 B2 C1 C11 169.0(12) . .
B8 B2 C1 C11 -127.2(14) . .
Er1 B2 C1 C11 120.7(11) . .
C3 B2 C1 B6 -26(2) . .
B8 B2 C1 B6 38.2(19) . .
Er1 B2 C1 B6 -74.0(12) . .
C3 B2 C1 B7 -78.1(13) . .
B8 B2 C1 B7 -14.4(13) . .
Er1 B2 C1 B7 -126.5(8) . .
C3 B2 C1 Er1 48.3(11) . .
B8 B2 C1 Er1 112.1(12) . .
B12 B7 C1 C11 179.3(18) . .
B8 B7 C1 C11 123.8(14) . .
B11 B7 C1 C11 -129.2(13) . .
B6 B7 C1 C11 -114.2(15) . .
B12 B7 C1 B6 -67(2) . .
B8 B7 C1 B6 -122.1(14) . .
B11 B7 C1 B6 -15.0(12) . .
B12 B7 C1 B2 69(2) . .
B8 B7 C1 B2 13.3(13) . .
B11 B7 C1 B2 120.4(13) . .
B6 B7 C1 B2 135.4(13) . .
B12 B7 C1 Er1 -1(2) . .
B8 B7 C1 Er1 -56.1(14) . .
B11 B7 C1 Er1 51.0(14) . .
B6 B7 C1 Er1 66.0(11) . .
O1 Er1 C1 C11 105.4(11) . .
B4 Er1 C1 C11 -177.8(12) . .
Cl1 Er1 C1 C11 42.4(10) . .
C19' Er1 C1 C11 -61.8(11) . .
C18' Er1 C1 C11 -84.5(11) . .
C12' Er1 C1 C11 -26.2(13) . .
C13' Er1 C1 C11 -69.4(13) . .
B5 Er1 C1 C11 146.4(12) . .
C11' Er1 C1 C11 -32.7(11) . .
C3 Er1 C1 C11 -141.3(12) . .
B6 Er1 C1 C11 120.2(15) . .
O1 Er1 C1 B6 -14.8(11) . .
B4 Er1 C1 B6 62.0(10) . .
Cl1 Er1 C1 B6 -77.8(9) . .
C19' Er1 C1 B6 178.0(9) . .
C18' Er1 C1 B6 155.3(9) . .
C12' Er1 C1 B6 -146.3(9) . .
C13' Er1 C1 B6 170.5(9) . .
B5 Er1 C1 B6 26.2(9) . .
C11' Er1 C1 B6 -152.9(9) . .
C3 Er1 C1 B6 98.6(10) . .
O1 Er1 C1 B2 -141.0(9) . .
B4 Er1 C1 B2 -64.2(10) . .
Cl1 Er1 C1 B2 156.0(9) . .
C19' Er1 C1 B2 51.8(9) . .
C18' Er1 C1 B2 29.1(10) . .
C12' Er1 C1 B2 87.4(10) . .
C13' Er1 C1 B2 44.2(12) . .
B5 Er1 C1 B2 -100.0(10) . .
C11' Er1 C1 B2 80.9(9) . .
C3 Er1 C1 B2 -27.7(9) . .
B6 Er1 C1 B2 -126.2(13) . .
O1 Er1 C1 B7 -74.8(12) . .
B4 Er1 C1 B7 2.0(11) . .
Cl1 Er1 C1 B7 -137.8(11) . .
C19' Er1 C1 B7 118.0(10) . .
C18' Er1 C1 B7 95.3(11) . .
C12' Er1 C1 B7 153.7(10) . .
C13' Er1 C1 B7 110.5(11) . .
B5 Er1 C1 B7 -33.8(11) . .
C11' Er1 C1 B7 147.1(10) . .
C3 Er1 C1 B7 38.6(10) . .
B6 Er1 C1 B7 -60.0(12) . .
C1 B2 C3 B8 101.2(16) . .
Er1 B2 C3 B8 148.3(11) . .
C1 B2 C3 B4 -0.1(19) . .
B8 B2 C3 B4 -101.3(16) . .
Er1 B2 C3 B4 47.0(11) . .
C1 B2 C3 B9 78(2) . .
B8 B2 C3 B9 -22.9(18) . .
Er1 B2 C3 B9 125.3(17) . .
C1 B2 C3 Er1 -47.1(11) . .
B8 B2 C3 Er1 -148.3(11) . .
B12 B8 C3 B2 -114.2(16) . .
B9 B8 C3 B2 -159.1(16) . .
B7 B8 C3 B2 -52.8(13) . .
B12 B8 C3 B4 1.3(17) . .
B9 B8 C3 B4 -43.6(14) . .
B2 B8 C3 B4 115.6(14) . .
B7 B8 C3 B4 62.7(16) . .
B12 B8 C3 B9 44.9(14) . .
B2 B8 C3 B9 159.1(16) . .
B7 B8 C3 B9 106.3(16) . .
B12 B8 C3 Er1 -70.6(18) . .
B9 B8 C3 Er1 -115.5(16) . .
B2 B8 C3 Er1 43.6(15) . .
B7 B8 C3 Er1 -9(2) . .
B5 B4 C3 B2 17.8(19) . .
B10 B4 C3 B2 79.2(17) . .
B9 B4 C3 B2 117.5(15) . .
Er1 B4 C3 B2 -53.1(12) . .
B5 B4 C3 B8 -56.5(17) . .
B10 B4 C3 B8 4.8(18) . .
B9 B4 C3 B8 43.1(13) . .
Er1 B4 C3 B8 -127.5(11) . .
B5 B4 C3 B9 -99.6(15) . .
B10 B4 C3 B9 -38.3(14) . .
Er1 B4 C3 B9 -170.6(11) . .
B5 B4 C3 Er1 71.0(11) . .
B10 B4 C3 Er1 132.3(13) . .
B9 B4 C3 Er1 170.6(11) . .
B8 B9 C3 B2 23.6(18) . .
B12 B9 C3 B2 -18(2) . .
B4 B9 C3 B2 -110.6(18) . .
B10 B9 C3 B2 -75(2) . .
B12 B9 C3 B8 -41.7(14) . .
B4 B9 C3 B8 -134.2(15) . .
B10 B9 C3 B8 -98.8(15) . .
B8 B9 C3 B4 134.2(15) . .
B12 B9 C3 B4 92.5(16) . .
B10 B9 C3 B4 35.4(13) . .
B8 B9 C3 Er1 123.9(14) . .
B12 B9 C3 Er1 82.2(16) . .
B4 B9 C3 Er1 -10.3(12) . .
B10 B9 C3 Er1 25.1(18) . .
O1 Er1 C3 B2 155.2(9) . .
B4 Er1 C3 B2 135.2(13) . .
Cl1 Er1 C3 B2 31.9(11) . .
C19' Er1 C3 B2 -71.8(9) . .
C18' Er1 C3 B2 -102.4(10) . .
C12' Er1 C3 B2 -97.0(10) . .
C1 Er1 C3 B2 26.6(9) . .
C13' Er1 C3 B2 -119.0(9) . .
B5 Er1 C3 B2 99.6(10) . .
C11' Er1 C3 B2 -65.9(10) . .
B6 Er1 C3 B2 60.2(9) . .
O1 Er1 C3 B8 114.7(15) . .
B4 Er1 C3 B8 94.7(18) . .
Cl1 Er1 C3 B8 -8.6(19) . .
C19' Er1 C3 B8 -112.3(16) . .
C18' Er1 C3 B8 -142.8(16) . .
C12' Er1 C3 B8 -137.4(15) . .
C1 Er1 C3 B8 -13.9(15) . .
C13' Er1 C3 B8 -159.5(15) . .
B5 Er1 C3 B8 59.1(16) . .
C11' Er1 C3 B8 -106.4(16) . .
B6 Er1 C3 B8 19.8(15) . .
O1 Er1 C3 B4 20.0(10) . .
Cl1 Er1 C3 B4 -103.3(9) . .
C19' Er1 C3 B4 153.0(9) . .
C18' Er1 C3 B4 122.5(9) . .
C12' Er1 C3 B4 127.9(9) . .
C1 Er1 C3 B4 -108.6(9) . .
C13' Er1 C3 B4 105.8(9) . .
B5 Er1 C3 B4 -35.6(9) . .
C11' Er1 C3 B4 158.9(8) . .
B6 Er1 C3 B4 -74.9(9) . .
O1 Er1 C3 B9 30.5(14) . .
B4 Er1 C3 B9 10.4(13) . .
Cl1 Er1 C3 B9 -92.9(13) . .
C19' Er1 C3 B9 163.4(13) . .
C18' Er1 C3 B9 132.9(13) . .
C12' Er1 C3 B9 138.3(12) . .
C1 Er1 C3 B9 -98.2(13) . .
C13' Er1 C3 B9 116.3(12) . .
B5 Er1 C3 B9 -25.1(12) . .
C11' Er1 C3 B9 169.4(12) . .
B6 Er1 C3 B9 -64.5(13) . .
B6 C1 C11 C19 177.2(13) . .
B2 C1 C11 C19 -16.8(19) . .
B7 C1 C11 C19 -101.9(16) . .
Er1 C1 C11 C19 78.0(15) . .
B6 C1 C11 C12 -6(2) . .
B2 C1 C11 C12 160.5(13) . .
B7 C1 C11 C12 75.4(17) . .
Er1 C1 C11 C12 -104.7(14) . .
B6 C1 C11 Er2 86.7(14) . .
B2 C1 C11 Er2 -107.3(12) . .
B7 C1 C11 Er2 167.7(9) . .
Er1 C1 C11 Er2 -12.5(14) . .
O1' Er2 C11 C19 135.4(8) . .
B4' Er2 C11 C19 11.9(13) . .
Cl1 Er2 C11 C19 -147.9(8) . .
C18 Er2 C11 C19 38.0(8) . .
C12 Er2 C11 C19 115.5(13) . .
C13 Er2 C11 C19 77.7(10) . .
C1' Er2 C11 C19 -74.3(9) . .
B5' Er2 C11 C19 -81(2) . .
C3' Er2 C11 C19 -10.8(10) . .
B2' Er2 C11 C19 -42.0(9) . .
O1' Er2 C11 C12 19.9(9) . .
B4' Er2 C11 C12 -103.6(11) . .
C19 Er2 C11 C12 -115.5(13) . .
Cl1 Er2 C11 C12 96.6(8) . .
C18 Er2 C11 C12 -77.5(9) . .
C13 Er2 C11 C12 -37.8(9) . .
C1' Er2 C11 C12 170.2(8) . .
B5' Er2 C11 C12 163.4(18) . .
C3' Er2 C11 C12 -126.3(8) . .
B2' Er2 C11 C12 -157.5(8) . .
O1' Er2 C11 C1 -101.6(11) . .
B4' Er2 C11 C1 134.8(11) . .
C19 Er2 C11 C1 122.9(15) . .
Cl1 Er2 C11 C1 -24.9(10) . .
C18 Er2 C11 C1 160.9(13) . .
C12 Er2 C11 C1 -121.6(15) . .
C13 Er2 C11 C1 -159.4(13) . .
C1' Er2 C11 C1 48.7(11) . .
B5' Er2 C11 C1 42(3) . .
C3' Er2 C11 C1 112.1(11) . .
B2' Er2 C11 C1 80.9(11) . .
C19 C11 C12 C13 3.1(15) . .
C1 C11 C12 C13 -174.6(12) . .
Er2 C11 C12 C13 68.1(10) . .
C19 C11 C12 Er2 -65.0(9) . .
C1 C11 C12 Er2 117.2(13) . .
O1' Er2 C12 C11 -160.9(9) . .
B4' Er2 C12 C11 117.2(10) . .
C19 Er2 C12 C11 36.6(8) . .
Cl1 Er2 C12 C11 -78.3(8) . .
C18 Er2 C12 C11 77.0(9) . .
C13 Er2 C12 C11 113.1(13) . .
C1' Er2 C12 C11 -13.1(11) . .
B5' Er2 C12 C11 -168.4(12) . .
C3' Er2 C12 C11 70.1(10) . .
B2' Er2 C12 C11 27.8(10) . .
O1' Er2 C12 C13 86.0(10) . .
B4' Er2 C12 C13 4.1(14) . .
C19 Er2 C12 C13 -76.5(10) . .
Cl1 Er2 C12 C13 168.6(10) . .
C18 Er2 C12 C13 -36.0(9) . .
C11 Er2 C12 C13 -113.1(13) . .
C1' Er2 C12 C13 -126.2(9) . .
B5' Er2 C12 C13 78.6(17) . .
C3' Er2 C12 C13 -42.9(12) . .
B2' Er2 C12 C13 -85.3(11) . .
C11 C12 C13 C18 -1.2(16) . .
Er2 C12 C13 C18 67.0(10) . .
C11 C12 C13 C14 179.7(15) . .
Er2 C12 C13 C14 -112.1(17) . .
C11 C12 C13 Er2 -68.3(9) . .
O1' Er2 C13 C18 156.4(9) . .
B4' Er2 C13 C18 67.4(10) . .
C19 Er2 C13 C18 -37.8(8) . .
Cl1 Er2 C13 C18 -127.8(8) . .
C12 Er2 C13 C18 -115.4(13) . .
C11 Er2 C13 C18 -78.1(9) . .
C1' Er2 C13 C18 -27.0(12) . .
B5' Er2 C13 C18 94.4(11) . .
C3' Er2 C13 C18 31.1(9) . .
B2' Er2 C13 C18 -1.6(10) . .
O1' Er2 C13 C12 -88.2(10) . .
B4' Er2 C13 C12 -177.2(9) . .
C19 Er2 C13 C12 77.7(10) . .
Cl1 Er2 C13 C12 -12.4(10) . .
C18 Er2 C13 C12 115.4(13) . .
C11 Er2 C13 C12 37.3(8) . .
C1' Er2 C13 C12 88.5(12) . .
B5' Er2 C13 C12 -150.2(9) . .
C3' Er2 C13 C12 146.5(9) . .
B2' Er2 C13 C12 113.8(10) . .
O1' Er2 C13 C14 40.3(14) . .
B4' Er2 C13 C14 -48.7(15) . .
C19 Er2 C13 C14 -153.9(17) . .
Cl1 Er2 C13 C14 116.1(13) . .
C18 Er2 C13 C14 -116.1(18) . .
C12 Er2 C13 C14 128(2) . .
C11 Er2 C13 C14 165.8(17) . .
C1' Er2 C13 C14 -143.1(13) . .
B5' Er2 C13 C14 -21.7(19) . .
C3' Er2 C13 C14 -85.0(15) . .
B2' Er2 C13 C14 -117.7(14) . .
C18 C13 C14 C15 5(2) . .
C12 C13 C14 C15 -176.1(16) . .
Er2 C13 C14 C15 91.7(18) . .
C13 C14 C15 C16 -4(3) . .
C14 C15 C16 C17 3(3) . .
C15 C16 C17 C18 -4(3) . .
C16 C17 C18 C13 5(2) . .
C16 C17 C18 C19 -179.7(18) . .
C16 C17 C18 Er2 -84(2) . .
C12 C13 C18 C17 175.3(13) . .
C14 C13 C18 C17 -5(2) . .
Er2 C13 C18 C17 -117.7(13) . .
C12 C13 C18 C19 -1.1(16) . .
C14 C13 C18 C19 178.1(14) . .
Er2 C13 C18 C19 65.9(10) . .
C12 C13 C18 Er2 -67.0(10) . .
C14 C13 C18 Er2 112.2(14) . .
O1' Er2 C18 C17 89.3(15) . .
B4' Er2 C18 C17 -5.1(16) . .
C19 Er2 C18 C17 -133(2) . .
Cl1 Er2 C18 C17 -177.5(13) . .
C12 Er2 C18 C17 150.3(18) . .
C13 Er2 C18 C17 113.7(19) . .
C11 Er2 C18 C17 -170.1(18) . .
C1' Er2 C18 C17 -83.5(16) . .
B5' Er2 C18 C17 -6.0(18) . .
C3' Er2 C18 C17 -35.3(15) . .
B2' Er2 C18 C17 -67.7(15) . .
O1' Er2 C18 C13 -24.4(9) . .
B4' Er2 C18 C13 -118.8(9) . .
C19 Er2 C18 C13 113.8(12) . .
Cl1 Er2 C18 C13 68.9(10) . .
C12 Er2 C18 C13 36.6(8) . .
C11 Er2 C18 C13 76.2(9) . .
C1' Er2 C18 C13 162.8(8) . .
B5' Er2 C18 C13 -119.6(9) . .
C3' Er2 C18 C13 -148.9(9) . .
B2' Er2 C18 C13 178.6(9) . .
O1' Er2 C18 C19 -138.1(8) . .
B4' Er2 C18 C19 127.4(9) . .
Cl1 Er2 C18 C19 -44.9(10) . .
C12 Er2 C18 C19 -77.1(9) . .
C13 Er2 C18 C19 -113.8(12) . .
C11 Er2 C18 C19 -37.6(8) . .
C1' Er2 C18 C19 49.0(9) . .
B5' Er2 C18 C19 126.6(9) . .
C3' Er2 C18 C19 97.3(9) . .
B2' Er2 C18 C19 64.8(9) . .
C12 C11 C19 C18 -3.8(15) . .
C1 C11 C19 C18 173.8(13) . .
Er2 C11 C19 C18 -70.4(10) . .
C12 C11 C19 Er2 66.5(9) . .
C1 C11 C19 Er2 -115.8(13) . .
C17 C18 C19 C11 -172.5(16) . .
C13 C18 C19 C11 3.1(15) . .
Er2 C18 C19 C11 70.7(9) . .
C17 C18 C19 Er2 116.8(18) . .
C13 C18 C19 Er2 -67.6(10) . .
O1' Er2 C19 C11 -58.3(10) . .
B4' Er2 C19 C11 -172.4(8) . .
Cl1 Er2 C19 C11 32.6(9) . .
C18 Er2 C19 C11 -112.9(13) . .
C12 Er2 C19 C11 -36.1(8) . .
C13 Er2 C19 C11 -76.2(9) . .
C1' Er2 C19 C11 110.1(8) . .
B5' Er2 C19 C11 157.4(8) . .
C3' Er2 C19 C11 170.0(9) . .
B2' Er2 C19 C11 136.6(9) . .
O1' Er2 C19 C18 54.7(10) . .
B4' Er2 C19 C18 -59.5(10) . .
Cl1 Er2 C19 C18 145.5(8) . .
C12 Er2 C19 C18 76.9(9) . .
C13 Er2 C19 C18 36.7(8) . .
C11 Er2 C19 C18 112.9(13) . .
C1' Er2 C19 C18 -136.9(9) . .
B5' Er2 C19 C18 -89.7(11) . .
C3' Er2 C19 C18 -77.1(9) . .
B2' Er2 C19 C18 -110.5(9) . .
C24 O1 C21 C22 -6(3) . .
Er1 O1 C21 C22 168(2) . .
O1 C21 C22 C23 34(4) . .
C21 C22 C23 C24 -47(4) . .
C21 O1 C24 C23 -20(2) . .
Er1 O1 C24 C23 166.1(13) . .
C22 C23 C24 O1 40(3) . .
C34 O2 C31 C32 -20(3) . .
Na1 O2 C31 C32 154.7(15) . .
O2 C31 C32 C33 35(3) . .
C31 C32 C33 C34 -38(3) . .
C31 O2 C34 C33 -3(4) . .
Na1 O2 C34 C33 -177.3(17) . .
C32 C33 C34 O2 25(3) . .
C38 O3 C35 C36 -79(3) . .
Na1 O3 C35 C36 167(2) . .
C38 O3 C35 C37 -35(3) . .
Na1 O3 C35 C37 -149(2) . .
O3 C35 C36 C37 60(4) . .
C35 C36 C37 C38 -40(7) . .
O3 C35 C37 C36 -112(4) . .
O3 C35 C37 C38 35(3) . .
C36 C35 C37 C38 147(6) . .
C35 O3 C38 C37 44(5) . .
Na1 O3 C38 C37 174(3) . .
C35 O3 C38 Na1 -130(2) . .
C36 C37 C38 O3 -3(8) . .
C35 C37 C38 O3 -33(3) . .
C36 C37 C38 Na1 3(11) . .
C35 C37 C38 Na1 -27(6) . .
O3 Na1 C38 O3 180.00(4) 7_566 .
O2 Na1 C38 O3 -139(3) . .
O2 Na1 C38 O3 41(3) 7_566 .
O4 Na1 C38 O3 125(3) 7_566 .
O4 Na1 C38 O3 -55(3) . .
C38 Na1 C38 O3 1(95) 7_566 .
O3 Na1 C38 C37 172(4) 7_566 .
O3 Na1 C38 C37 -8(4) . .
O2 Na1 C38 C37 -147(7) . .
O2 Na1 C38 C37 33(7) 7_566 .
O4 Na1 C38 C37 117(7) 7_566 .
O4 Na1 C38 C37 -63(7) . .
C38 Na1 C38 C37 -7(95) 7_566 .
C42 O4 C39 C40 -58(7) . .
Na1 O4 C39 C40 146(4) . .
O4 C39 C40 C41 87(7) . .
C39 C40 C41 C42 -132(9) . .
C39 O4 C42 C41 6(7) . .
Na1 O4 C42 C41 165(4) . .
C40 C41 C42 O4 20(9) . .
C46 O5 C43 C44 24(4) . .
Na2 O5 C43 C44 179(2) . .
O5 C43 C44 C45 -12(4) . .
C43 C44 C45 C46 -4(5) . .
C43 O5 C46 C45 -27(5) . .
Na2 O5 C46 C45 179(2) . .
C44 C45 C46 O5 18(5) . .
C50 O6 C47 C48 16(4) . .
Na2 O6 C47 C48 -158(2) . .
O6 C47 C48 C49 -28(4) . .
C47 C48 C49 C50 30(4) . .
C47 O6 C50 C49 1(4) . .
Na2 O6 C50 C49 174(2) . .
C48 C49 C50 O6 -19(4) . .
C51 O7 C51 C52 -10.1(18) 2 .
Na2 O7 C51 C52 169.9(18) . .
O7 C51 C52 C52 30(5) . 2
C56 O8 C53 C54 -8(4) . .
O8 C53 C54 C55 0(4) . .
C53 C54 C55 C56 8(3) . .
C53 O8 C56 C55 13(3) . .
C54 C55 C56 O8 -13(3) . .
B11' B6' C1' C11' 130.0(13) . .
B5' B6' C1' C11' -162.2(11) . .
B7' B6' C1' C11' 112.2(13) . .
Er2 B6' C1' C11' -119.2(11) . .
B11' B6' C1' B2' -38.8(18) . .
B5' B6' C1' B2' 28.9(18) . .
B7' B6' C1' B2' -56.6(12) . .
Er2 B6' C1' B2' 72.0(11) . .
B11' B6' C1' B7' 17.8(13) . .
B5' B6' C1' B7' 85.5(13) . .
Er2 B6' C1' B7' 128.6(8) . .
B11' B6' C1' Er2 -110.8(12) . .
B5' B6' C1' Er2 -43.1(11) . .
B7' B6' C1' Er2 -128.6(8) . .
C3' B2' C1' C11' 167.1(11) . .
B8' B2' C1' C11' -125.7(13) . .
Er2 B2' C1' C11' 118.1(10) . .
C3' B2' C1' B6' -23.7(19) . .
B8' B2' C1' B6' 43.5(17) . .
Er2 B2' C1' B6' -72.8(11) . .
C3' B2' C1' B7' -79.2(13) . .
B8' B2' C1' B7' -12.0(12) . .
Er2 B2' C1' B7' -128.2(8) . .
C3' B2' C1' Er2 49.1(11) . .
B8' B2' C1' Er2 116.2(11) . .
B12' B7' C1' C11' 174.5(14) . .
B8' B7' C1' C11' 123.7(12) . .
B11' B7' C1' C11' -130.2(12) . .
B6' B7' C1' C11' -115.5(13) . .
B12' B7' C1' B6' -70.0(17) . .
B8' B7' C1' B6' -120.8(12) . .
B11' B7' C1' B6' -14.7(11) . .
B12' B7' C1' B2' 62.0(17) . .
B8' B7' C1' B2' 11.1(11) . .
B11' B7' C1' B2' 117.2(12) . .
B6' B7' C1' B2' 131.9(12) . .
B12' B7' C1' Er2 -4(2) . .
B8' B7' C1' Er2 -54.9(12) . .
B11' B7' C1' Er2 51.2(12) . .
B6' B7' C1' Er2 65.9(10) . .
O1' Er2 C1' C11' 105.2(9) . .
B4' Er2 C1' C11' -174.9(10) . .
C19 Er2 C1' C11' -61.6(9) . .
Cl1 Er2 C1' C11' 42.6(8) . .
C18 Er2 C1' C11' -84.8(9) . .
C12 Er2 C1' C11' -25.1(11) . .
C13 Er2 C1' C11' -70.0(11) . .
C11 Er2 C1' C11' -31.9(10) . .
B5' Er2 C1' C11' 146.4(10) . .
C3' Er2 C1' C11' -141.3(10) . .
B2' Er2 C1' C11' -115.5(13) . .
O1' Er2 C1' B6' -15.1(10) . .
B4' Er2 C1' B6' 64.7(8) . .
C19 Er2 C1' B6' 178.0(8) . .
Cl1 Er2 C1' B6' -77.7(7) . .
C18 Er2 C1' B6' 154.9(8) . .
C12 Er2 C1' B6' -145.4(8) . .
C13 Er2 C1' B6' 169.7(8) . .
C11 Er2 C1' B6' -152.2(8) . .
B5' Er2 C1' B6' 26.1(8) . .
C3' Er2 C1' B6' 98.4(8) . .
B2' Er2 C1' B6' 124.2(11) . .
O1' Er2 C1' B2' -139.3(7) . .
B4' Er2 C1' B2' -59.4(8) . .
C19 Er2 C1' B2' 53.9(8) . .
Cl1 Er2 C1' B2' 158.1(8) . .
C18 Er2 C1' B2' 30.7(9) . .
C12 Er2 C1' B2' 90.4(9) . .
C13 Er2 C1' B2' 45.5(11) . .
C11 Er2 C1' B2' 83.7(8) . .
B5' Er2 C1' B2' -98.0(8) . .
C3' Er2 C1' B2' -25.8(7) . .
O1' Er2 C1' B7' -76.2(10) . .
B4' Er2 C1' B7' 3.6(9) . .
C19 Er2 C1' B7' 116.9(9) . .
Cl1 Er2 C1' B7' -138.8(9) . .
C18 Er2 C1' B7' 93.8(9) . .
C12 Er2 C1' B7' 153.5(9) . .
C13 Er2 C1' B7' 108.6(10) . .
C11 Er2 C1' B7' 146.7(9) . .
B5' Er2 C1' B7' -35.0(9) . .
C3' Er2 C1' B7' 37.3(8) . .
B2' Er2 C1' B7' 63.1(10) . .
C1' B2' C3' B4' -1.7(19) . .
B8' B2' C3' B4' -103.2(13) . .
Er2 B2' C3' B4' 46.3(11) . .
C1' B2' C3' B9' 76.9(17) . .
B8' B2' C3' B9' -24.6(13) . .
Er2 B2' C3' B9' 124.9(12) . .
C1' B2' C3' B8' 101.5(14) . .
Er2 B2' C3' B8' 149.5(8) . .
C1' B2' C3' Er2 -48.0(11) . .
B8' B2' C3' Er2 -149.5(8) . .
B5' B4' C3' B2' 19.0(18) . .
B9' B4' C3' B2' 114.5(14) . .
B10' B4' C3' B2' 83.0(15) . .
Er2 B4' C3' B2' -51.8(12) . .
B5' B4' C3' B9' -95.5(13) . .
B10' B4' C3' B9' -31.5(11) . .
Er2 B4' C3' B9' -166.3(10) . .
B5' B4' C3' B8' -55.0(15) . .
B9' B4' C3' B8' 40.5(11) . .
B10' B4' C3' B8' 9.0(15) . .
Er2 B4' C3' B8' -125.8(10) . .
B5' B4' C3' Er2 70.8(10) . .
B9' B4' C3' Er2 166.3(10) . .
B10' B4' C3' Er2 134.8(12) . .
B8' B9' C3' B2' 25.6(13) . .
B12' B9' C3' B2' -11.9(18) . .
B4' B9' C3' B2' -111.4(14) . .
B10' B9' C3' B2' -78.8(16) . .
B8' B9' C3' B4' 136.9(12) . .
B12' B9' C3' B4' 99.4(13) . .
B10' B9' C3' B4' 32.6(12) . .
B12' B9' C3' B8' -37.5(11) . .
B4' B9' C3' B8' -136.9(12) . .
B10' B9' C3' B8' -104.4(14) . .
B8' B9' C3' Er2 121.6(12) . .
B12' B9' C3' Er2 84.1(14) . .
B4' B9' C3' Er2 -15.3(11) . .
B10' B9' C3' Er2 17.2(17) . .
B12' B8' C3' B2' -115.2(13) . .
B9' B8' C3' B2' -156.3(12) . .
B7' B8' C3' B2' -50.5(10) . .
B12' B8' C3' B4' -1.3(16) . .
B9' B8' C3' B4' -42.5(12) . .
B2' B8' C3' B4' 113.9(12) . .
B7' B8' C3' B4' 63.3(14) . .
B12' B8' C3' B9' 41.1(12) . .
B2' B8' C3' B9' 156.3(12) . .
B7' B8' C3' B9' 105.8(12) . .
B12' B8' C3' Er2 -74.5(15) . .
B9' B8' C3' Er2 -115.7(13) . .
B2' B8' C3' Er2 40.7(11) . .
B7' B8' C3' Er2 -9.9(16) . .
O1' Er2 C3' B2' 153.0(7) . .
B4' Er2 C3' B2' 135.3(12) . .
C19 Er2 C3' B2' -73.4(8) . .
Cl1 Er2 C3' B2' 30.4(9) . .
C18 Er2 C3' B2' -104.7(8) . .
C12 Er2 C3' B2' -99.2(8) . .
C13 Er2 C3' B2' -120.3(8) . .
C11 Er2 C3' B2' -67.8(8) . .
C1' Er2 C3' B2' 24.7(7) . .
B5' Er2 C3' B2' 98.5(8) . .
O1' Er2 C3' B4' 17.7(10) . .
C19 Er2 C3' B4' 151.3(9) . .
Cl1 Er2 C3' B4' -104.9(8) . .
C18 Er2 C3' B4' 120.0(9) . .
C12 Er2 C3' B4' 125.5(9) . .
C13 Er2 C3' B4' 104.3(9) . .
C11 Er2 C3' B4' 156.9(8) . .
C1' Er2 C3' B4' -110.6(9) . .
B5' Er2 C3' B4' -36.8(8) . .
B2' Er2 C3' B4' -135.3(12) . .
O1' Er2 C3' B9' 33.4(13) . .
B4' Er2 C3' B9' 15.7(11) . .
C19 Er2 C3' B9' 167.0(12) . .
Cl1 Er2 C3' B9' -89.2(12) . .
C18 Er2 C3' B9' 135.7(12) . .
C12 Er2 C3' B9' 141.2(11) . .
C13 Er2 C3' B9' 120.1(12) . .
C11 Er2 C3' B9' 172.6(11) . .
C1' Er2 C3' B9' -94.9(12) . .
B5' Er2 C3' B9' -21.1(11) . .
B2' Er2 C3' B9' -119.6(15) . .
O1' Er2 C3' B8' 115.2(12) . .
B4' Er2 C3' B8' 97.5(14) . .
C19 Er2 C3' B8' -111.2(12) . .
Cl1 Er2 C3' B8' -7.4(14) . .
C18 Er2 C3' B8' -142.5(13) . .
C12 Er2 C3' B8' -137.0(11) . .
C13 Er2 C3' B8' -158.1(12) . .
C11 Er2 C3' B8' -105.6(12) . .
C1' Er2 C3' B8' -13.1(11) . .
B5' Er2 C3' B8' 60.7(12) . .
B2' Er2 C3' B8' -37.8(11) . .
B6' C1' C11' C19' 175.6(12) . .
B2' C1' C11' C19' -15.2(18) . .
B7' C1' C11' C19' -100.4(15) . .
Er2 C1' C11' C19' 78.2(14) . .
B6' C1' C11' C12' -6.6(19) . .
B2' C1' C11' C12' 162.6(13) . .
B7' C1' C11' C12' 77.4(16) . .
Er2 C1' C11' C12' -104.0(13) . .
B6' C1' C11' Er1 84.1(13) . .
B2' C1' C11' Er1 -106.6(11) . .
B7' C1' C11' Er1 168.1(8) . .
Er2 C1' C11' Er1 -13.2(12) . .
O1 Er1 C11' C19' 133.7(7) . .
B4 Er1 C11' C19' 11.5(13) . .
Cl1 Er1 C11' C19' -148.9(7) . .
C18' Er1 C11' C19' 36.9(7) . .
C12' Er1 C11' C19' 113.8(11) . .
C1 Er1 C11' C19' -75.7(8) . .
C13' Er1 C11' C19' 77.9(8) . .
B5 Er1 C11' C19' -79(2) . .
C3 Er1 C11' C19' -11.8(8) . .
B6 Er1 C11' C19' -94.0(9) . .
O1 Er1 C11' C12' 19.9(9) . .
B4 Er1 C11' C12' -102.3(11) . .
Cl1 Er1 C11' C12' 97.2(8) . .
C19' Er1 C11' C12' -113.8(11) . .
C18' Er1 C11' C12' -76.9(9) . .
C1 Er1 C11' C12' 170.5(8) . .
C13' Er1 C11' C12' -35.9(8) . .
B5 Er1 C11' C12' 167(2) . .
C3 Er1 C11' C12' -125.6(8) . .
B6 Er1 C11' C12' 152.2(8) . .
O1 Er1 C11' C1' -101.8(9) . .
B4 Er1 C11' C1' 136.0(11) . .
Cl1 Er1 C11' C1' -24.4(9) . .
C19' Er1 C11' C1' 124.6(13) . .
C18' Er1 C11' C1' 161.5(11) . .
C12' Er1 C11' C1' -121.6(13) . .
C1 Er1 C11' C1' 48.9(10) . .
C13' Er1 C11' C1' -157.5(11) . .
B5 Er1 C11' C1' 46(2) . .
C3 Er1 C11' C1' 112.8(9) . .
B6 Er1 C11' C1' 30.6(12) . .
C19' C11' C12' C13' 3.2(16) . .
C1' C11' C12' C13' -175.0(12) . .
Er1 C11' C12' C13' 68.6(11) . .
C19' C11' C12' Er1 -65.4(8) . .
C1' C11' C12' Er1 116.4(12) . .
O1 Er1 C12' C13' 82.8(8) . .
B4 Er1 C12' C13' 4.1(13) . .
Cl1 Er1 C12' C13' 165.8(8) . .
C19' Er1 C12' C13' -79.3(9) . .
C18' Er1 C12' C13' -39.1(8) . .
C1 Er1 C12' C13' -128.7(8) . .
B5 Er1 C12' C13' 74(2) . .
C11' Er1 C12' C13' -116.1(12) . .
C3 Er1 C12' C13' -46.0(10) . .
B6 Er1 C12' C13' -170.2(10) . .
O1 Er1 C12' C11' -161.2(8) . .
B4 Er1 C12' C11' 120.1(10) . .
Cl1 Er1 C12' C11' -78.1(7) . .
C19' Er1 C12' C11' 36.7(7) . .
C18' Er1 C12' C11' 76.9(8) . .
C1 Er1 C12' C11' -12.6(10) . .
C13' Er1 C12' C11' 116.1(12) . .
B5 Er1 C12' C11' -169.5(16) . .
C3 Er1 C12' C11' 70.1(9) . .
B6 Er1 C12' C11' -54.1(14) . .
C11' C12' C13' C14' 179.3(16) . .
Er1 C12' C13' C14' -111.8(18) . .
C11' C12' C13' C18' -1.7(16) . .
Er1 C12' C13' C18' 67.2(9) . .
C11' C12' C13' Er1 -68.9(10) . .
O1 Er1 C13' C14' 42.4(11) . .
B4 Er1 C13' C14' -43.1(13) . .
Cl1 Er1 C13' C14' 118.7(11) . .
C19' Er1 C13' C14' -151.0(13) . .
C18' Er1 C13' C14' -114.4(15) . .
C12' Er1 C13' C14' 134.1(16) . .
C1 Er1 C13' C14' -141.3(11) . .
B5 Er1 C13' C14' -18.7(16) . .
C11' Er1 C13' C14' 170.1(13) . .
C3 Er1 C13' C14' -82.2(12) . .
B6 Er1 C13' C14' -89(4) . .
O1 Er1 C13' C12' -91.8(8) . .
B4 Er1 C13' C12' -177.3(9) . .
Cl1 Er1 C13' C12' -15.4(9) . .
C19' Er1 C13' C12' 74.8(9) . .
C18' Er1 C13' C12' 111.5(12) . .
C1 Er1 C13' C12' 84.5(10) . .
B5 Er1 C13' C12' -152.8(10) . .
C11' Er1 C13' C12' 36.0(8) . .
C3 Er1 C13' C12' 143.7(8) . .
B6 Er1 C13' C12' 137(4) . .
O1 Er1 C13' C18' 156.8(8) . .
B4 Er1 C13' C18' 71.3(9) . .
Cl1 Er1 C13' C18' -126.9(7) . .
C19' Er1 C13' C18' -36.6(8) . .
C12' Er1 C13' C18' -111.5(12) . .
C1 Er1 C13' C18' -26.9(12) . .
B5 Er1 C13' C18' 95.7(11) . .
C11' Er1 C13' C18' -75.5(8) . .
C3 Er1 C13' C18' 32.2(9) . .
B6 Er1 C13' C18' 26(5) . .
C12' C13' C14' C15' -177.7(17) . .
C18' C13' C14' C15' 3(2) . .
Er1 C13' C14' C15' 88.2(17) . .
C13' C14' C15' C16' 1(3) . .
C14' C15' C16' C17' -4(3) . .
C15' C16' C17' C18' 2(3) . .
C16' C17' C18' C19' 177.1(16) . .
C16' C17' C18' C13' 3(2) . .
C16' C17' C18' Er1 -84.9(17) . .
C14' C13' C18' C19' 178.7(12) . .
C12' C13' C18' C19' -0.5(15) . .
Er1 C13' C18' C19' 67.1(9) . .
C14' C13' C18' C17' -5.4(19) . .
C12' C13' C18' C17' 175.4(12) . .
Er1 C13' C18' C17' -117.0(11) . .
C14' C13' C18' Er1 111.6(13) . .
C12' C13' C18' Er1 -67.6(10) . .
O1 Er1 C18' C19' -138.0(8) . .
B4 Er1 C18' C19' 129.7(9) . .
Cl1 Er1 C18' C19' -43.6(9) . .
C12' Er1 C18' C19' -76.2(9) . .
C1 Er1 C18' C19' 49.1(9) . .
C13' Er1 C18' C19' -114.0(11) . .
B5 Er1 C18' C19' 126.0(9) . .
C11' Er1 C18' C19' -36.2(7) . .
C3 Er1 C18' C19' 98.1(9) . .
B6 Er1 C18' C19' 70.5(11) . .
O1 Er1 C18' C17' 87.9(12) . .
B4 Er1 C18' C17' -4.4(13) . .
Cl1 Er1 C18' C17' -177.7(10) . .
C19' Er1 C18' C17' -134.1(16) . .
C12' Er1 C18' C17' 149.7(15) . .
C1 Er1 C18' C17' -85.0(13) . .
C13' Er1 C18' C17' 111.9(16) . .
B5 Er1 C18' C17' -8.1(16) . .
C11' Er1 C18' C17' -170.3(15) . .
C3 Er1 C18' C17' -36.0(12) . .
B6 Er1 C18' C17' -63.6(16) . .
O1 Er1 C18' C13' -24.0(9) . .
B4 Er1 C18' C13' -116.2(9) . .
Cl1 Er1 C18' C13' 70.4(9) . .
C19' Er1 C18' C13' 114.0(11) . .
C12' Er1 C18' C13' 37.8(7) . .
C1 Er1 C18' C13' 163.2(7) . .
B5 Er1 C18' C13' -119.9(9) . .
C11' Er1 C18' C13' 77.8(8) . .
C3 Er1 C18' C13' -147.8(9) . .
B6 Er1 C18' C13' -175.5(8) . .
C12' C11' C19' C18' -3.5(14) . .
C1' C11' C19' C18' 174.7(12) . .
Er1 C11' C19' C18' -69.4(9) . .
C12' C11' C19' Er1 65.9(9) . .
C1' C11' C19' Er1 -115.9(12) . .
C17' C18' C19' C11' -172.2(15) . .
C13' C18' C19' C11' 2.5(15) . .
Er1 C18' C19' C11' 70.6(9) . .
C17' C18' C19' Er1 117.2(17) . .
C13' C18' C19' Er1 -68.1(9) . .
O1 Er1 C19' C11' -60.2(9) . .
B4 Er1 C19' C11' -172.9(8) . .
Cl1 Er1 C19' C11' 31.5(8) . .
C18' Er1 C19' C11' -114.8(11) . .
C12' Er1 C19' C11' -37.4(7) . .
C1 Er1 C19' C11' 108.5(8) . .
C13' Er1 C19' C11' -77.1(8) . .
B5 Er1 C19' C11' 155.7(9) . .
C3 Er1 C19' C11' 169.0(8) . .
B6 Er1 C19' C11' 109.8(8) . .
O1 Er1 C19' C18' 54.6(9) . .
B4 Er1 C19' C18' -58.1(10) . .
Cl1 Er1 C19' C18' 146.3(7) . .
C12' Er1 C19' C18' 77.4(9) . .
C1 Er1 C19' C18' -136.7(8) . .
C13' Er1 C19' C18' 37.7(8) . .
B5 Er1 C19' C18' -89.6(11) . .
C11' Er1 C19' C18' 114.8(11) . .
C3 Er1 C19' C18' -76.2(8) . .
B6 Er1 C19' C18' -135.4(8) . .
C24' O1' C21' C22' -8(3) . .
Er2 O1' C21' C22' 175.6(18) . .
O1' C21' C22' C23' 10(4) . .
C21' C22' C23' C24' -8(4) . .
C22' C23' C24' O1' 3(4) . .
C21' O1' C24' C23' 3(3) . .
Er2 O1' C24' C23' 179.6(17) . .
