#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:06:50 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179032 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/30/4123041.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_4123041
loop_
_publ_author_name
'Ishida, Yutaka'
'Kawaguchi, Hiroyuki'
_publ_section_title
;
 Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex
 to Carbon Monoxide and Isocyanide.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              141125125639001
_journal_paper_doi               10.1021/ja510317h
_journal_year                    2014
_chemical_formula_moiety         'C98 H140 K4 N4 O12 V2, 2 (C7 H8)'
_chemical_formula_sum            'C112 H156 K4 N4 O12 V2'
_chemical_formula_weight         2008.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.7738(14)
_cell_angle_beta                 100.245(2)
_cell_angle_gamma                100.191(2)
_cell_formula_units_Z            2
_cell_length_a                   13.5984(17)
_cell_length_b                   15.999(2)
_cell_length_c                   26.250(3)
_cell_measurement_reflns_used    13338
_cell_measurement_temperature    123.15
_cell_measurement_theta_max      27.4778
_cell_measurement_theta_min      3.0516
_cell_volume                     5519.8(12)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2009)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2009)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2009)'
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      123.15
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn724+ CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            68913
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.379
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9137
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Jacobson, R. (1998). REQAB. Private communication to the 
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            Dark_red
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2148
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.386
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1241
_refine_ls_number_reflns         25184
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0746P)²+2.6155P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1622
_reflns_number_gt                19304
_reflns_number_total             25184
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja510317h_si_002.cif
_cod_data_source_block           (ONO)VN-IV-dimer-Complex2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 
;
_cod_database_code               4123041
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
V1 V 0.45535(3) 0.99802(3) 0.039248(15) 0.02094(10) Uani 1 1 d .
N1 N 0.52683(14) 0.92972(13) 0.01217(8) 0.0231(4) Uani 1 1 d .
O1 O 0.51657(13) 1.05489(13) 0.10444(6) 0.0337(4) Uani 1 1 d .
C1 C 0.53184(18) 1.06500(16) 0.15669(9) 0.0241(5) Uani 1 1 d .
C2 C 0.62638(18) 1.10685(16) 0.18624(9) 0.0245(5) Uani 1 1 d .
C3 C 0.63351(18) 1.11714(16) 0.23996(9) 0.0259(5) Uani 1 1 d .
H1 H 0.6966 1.1448 0.2602 0.031 Uiso 1 1 calc R
C4 C 0.55332(19) 1.08915(16) 0.26569(9) 0.0273(5) Uani 1 1 d .
C5 C 0.46237(18) 1.04786(16) 0.23539(9) 0.0259(5) Uani 1 1 d .
H2 H 0.4064 1.0280 0.2517 0.031 Uiso 1 1 calc R
C6 C 0.45061(18) 1.03461(15) 0.18204(9) 0.0226(5) Uani 1 1 d .
C7 C 0.71648(18) 1.14494(16) 0.16077(9) 0.0272(5) Uani 1 1 d .
C8 C 0.74264(19) 1.07965(17) 0.12366(10) 0.0314(6) Uani 1 1 d .
H3 H 0.7986 1.1069 0.1074 0.047 Uiso 1 1 calc R
H4 H 0.6829 1.0581 0.0967 0.047 Uiso 1 1 calc R
H5 H 0.7631 1.0323 0.1431 0.047 Uiso 1 1 calc R
C9 C 0.81329(19) 1.17725(19) 0.20098(10) 0.0346(6) Uani 1 1 d .
H6 H 0.8312 1.1303 0.2216 0.052 Uiso 1 1 calc R
H7 H 0.8016 1.2226 0.2238 0.052 Uiso 1 1 calc R
H8 H 0.8691 1.1995 0.1832 0.052 Uiso 1 1 calc R
C10 C 0.6891(2) 1.22069(18) 0.13092(11) 0.0356(6) Uani 1 1 d .
H9 H 0.6756 1.2636 0.1549 0.053 Uiso 1 1 calc R
H10 H 0.6282 1.2015 0.1042 0.053 Uiso 1 1 calc R
H11 H 0.7458 1.2456 0.1145 0.053 Uiso 1 1 calc R
C11 C 0.5655(2) 1.10198(19) 0.32380(10) 0.0351(6) Uani 1 1 d .
H12 H 0.5533 1.1587 0.3328 0.053 Uiso 1 1 calc R
H13 H 0.6347 1.0970 0.3401 0.053 Uiso 1 1 calc R
H14 H 0.5165 1.0586 0.3363 0.053 Uiso 1 1 calc R
C12 C 0.35129(18) 0.98573(16) 0.15108(9) 0.0247(5) Uani 1 1 d .
H15 H 0.3663 0.9378 0.1309 0.030 Uiso 1 1 calc R
H16 H 0.3086 0.9610 0.1757 0.030 Uiso 1 1 calc R
N2 N 0.31284(14) 0.95050(12) 0.03946(7) 0.0207(4) Uani 1 1 d .
C13 C 0.26879(17) 1.01589(14) 0.06037(9) 0.0207(5) Uani 1 1 d .
C14 C 0.28988(17) 1.03612(15) 0.11409(9) 0.0218(5) Uani 1 1 d .
C15 C 0.24903(17) 1.10193(15) 0.13397(9) 0.0240(5) Uani 1 1 d .
H17 H 0.2645 1.1161 0.1703 0.029 Uiso 1 1 calc R
C16 C 0.18676(18) 1.14719(15) 0.10250(9) 0.0241(5) Uani 1 1 d .
C17 C 0.16663(17) 1.12542(15) 0.04917(9) 0.0228(5) Uani 1 1 d .
H18 H 0.1235 1.1550 0.0269 0.027 Uiso 1 1 calc R
C18 C 0.20734(16) 1.06216(14) 0.02748(8) 0.0193(4) Uani 1 1 d .
C19 C 0.13856(19) 1.21750(16) 0.12295(10) 0.0278(5) Uani 1 1 d .
C20 C 0.1710(2) 1.2356(2) 0.18164(10) 0.0426(7) Uani 1 1 d .
H19 H 0.1389 1.2815 0.1929 0.064 Uiso 1 1 calc R
H20 H 0.2451 1.2529 0.1905 0.064 Uiso 1 1 calc R
H21 H 0.1497 1.1841 0.1992 0.064 Uiso 1 1 calc R
C21 C 0.1711(2) 1.29947(17) 0.09703(12) 0.0378(6) Uani 1 1 d .
H22 H 0.1494 1.2898 0.0593 0.057 Uiso 1 1 calc R
H23 H 0.2453 1.3166 0.1055 0.057 Uiso 1 1 calc R
H24 H 0.1395 1.3446 0.1096 0.057 Uiso 1 1 calc R
C22 C 0.0223(2) 1.19055(18) 0.11022(11) 0.0356(6) Uani 1 1 d .
H25 H 0.0000 1.1797 0.0726 0.053 Uiso 1 1 calc R
H26 H -0.0091 1.2361 0.1224 0.053 Uiso 1 1 calc R
H27 H 0.0018 1.1386 0.1275 0.053 Uiso 1 1 calc R
C23 C 0.24955(17) 0.87053(14) 0.02649(9) 0.0213(5) Uani 1 1 d .
C24 C 0.28331(19) 0.80576(15) 0.00100(10) 0.0267(5) Uani 1 1 d .
H28 H 0.3490 0.8167 -0.0078 0.032 Uiso 1 1 calc R
C25 C 0.2226(2) 0.72620(16) -0.01149(10) 0.0302(5) Uani 1 1 d .
H29 H 0.2478 0.6837 -0.0287 0.036 Uiso 1 1 calc R
C26 C 0.1254(2) 0.70658(16) 0.00044(11) 0.0312(6) Uani 1 1 d .
C27 C 0.09175(19) 0.77072(16) 0.02575(10) 0.0301(6) Uani 1 1 d .
H30 H 0.0261 0.7595 0.0346 0.036 Uiso 1 1 calc R
C28 C 0.15204(18) 0.85091(16) 0.03841(9) 0.0254(5) Uani 1 1 d .
H31 H 0.1265 0.8933 0.0555 0.030 Uiso 1 1 calc R
C29 C 0.0584(2) 0.62013(18) -0.01529(13) 0.0436(7) Uani 1 1 d .
H32 H 0.0257 0.6000 0.0136 0.065 Uiso 1 1 calc R
H33 H 0.1001 0.5797 -0.0241 0.065 Uiso 1 1 calc R
H34 H 0.0062 0.6248 -0.0455 0.065 Uiso 1 1 calc R
C30 C 0.18924(18) 1.04258(15) -0.03065(9) 0.0234(5) Uani 1 1 d .
H35 H 0.2546 1.0355 -0.0402 0.028 Uiso 1 1 calc R
H36 H 0.1420 0.9873 -0.0390 0.028 Uiso 1 1 calc R
O2 O 0.29577(12) 1.21145(11) -0.03495(6) 0.0267(4) Uani 1 1 d .
C31 C 0.20439(17) 1.19164(15) -0.06361(9) 0.0228(5) Uani 1 1 d .
C32 C 0.15996(18) 1.25067(16) -0.09587(9) 0.0255(5) Uani 1 1 d .
C33 C 0.06614(19) 1.22250(17) -0.12879(10) 0.0296(5) Uani 1 1 d .
H37 H 0.0379 1.2618 -0.1507 0.035 Uiso 1 1 calc R
C34 C 0.01209(18) 1.13940(17) -0.13093(9) 0.0276(5) Uani 1 1 d .
C35 C 0.05336(18) 1.08375(16) -0.09782(9) 0.0255(5) Uani 1 1 d .
H38 H 0.0166 1.0274 -0.0978 0.031 Uiso 1 1 calc R
C36 C 0.14661(17) 1.10739(15) -0.06461(9) 0.0222(5) Uani 1 1 d .
C37 C 0.2161(2) 1.34275(17) -0.09544(10) 0.0327(6) Uani 1 1 d .
C38 C 0.2416(2) 1.38390(17) -0.03966(11) 0.0377(6) Uani 1 1 d .
H39 H 0.1784 1.3878 -0.0274 0.057 Uiso 1 1 calc R
H40 H 0.2822 1.4411 -0.0392 0.057 Uiso 1 1 calc R
H41 H 0.2803 1.3490 -0.0168 0.057 Uiso 1 1 calc R
C39 C 0.3138(2) 1.34353(18) -0.11721(11) 0.0395(7) Uani 1 1 d .
H42 H 0.3592 1.3133 -0.0946 0.059 Uiso 1 1 calc R
H43 H 0.3478 1.4025 -0.1188 0.059 Uiso 1 1 calc R
H44 H 0.2966 1.3153 -0.1522 0.059 Uiso 1 1 calc R
C40 C 0.1529(3) 1.39924(19) -0.12846(13) 0.0484(8) Uani 1 1 d .
H45 H 0.1403 1.3786 -0.1650 0.073 Uiso 1 1 calc R
H46 H 0.1903 1.4580 -0.1245 0.073 Uiso 1 1 calc R
H47 H 0.0879 1.3971 -0.1169 0.073 Uiso 1 1 calc R
C41 C -0.0893(2) 1.11318(19) -0.16716(11) 0.0398(7) Uani 1 1 d .
H48 H -0.1103 1.0512 -0.1686 0.060 Uiso 1 1 calc R
H49 H -0.0831 1.1312 -0.2020 0.060 Uiso 1 1 calc R
H50 H -0.1404 1.1402 -0.1544 0.060 Uiso 1 1 calc R
K1 K 0.40927(4) 1.19830(3) 0.05063(2) 0.02699(12) Uani 1 1 d .
C42 C 0.4711(2) 1.2953(2) 0.18390(12) 0.0454(7) Uani 1 1 d .
H51 H 0.5399 1.2855 0.1971 0.068 Uiso 1 1 calc R
H52 H 0.4218 1.2431 0.1852 0.068 Uiso 1 1 calc R
H53 H 0.4564 1.3411 0.2054 0.068 Uiso 1 1 calc R
O3 O 0.46394(15) 1.31886(13) 0.13182(8) 0.0403(5) Uani 1 1 d .
C43 C 0.5324(2) 1.39444(18) 0.12660(12) 0.0417(7) Uani 1 1 d .
H54 H 0.6031 1.3873 0.1398 0.050 Uiso 1 1 calc R
H55 H 0.5182 1.4423 0.1472 0.050 Uiso 1 1 calc R
C44 C 0.5202(2) 1.41316(18) 0.07069(12) 0.0438(7) Uani 1 1 d .
H56 H 0.4484 1.4164 0.0569 0.053 Uiso 1 1 calc R
H57 H 0.5629 1.4687 0.0669 0.053 Uiso 1 1 calc R
O4 O 0.54968(15) 1.34800(12) 0.04258(8) 0.0365(4) Uani 1 1 d .
C45 C 0.5498(2) 1.3664(2) -0.00999(12) 0.0473(8) Uani 1 1 d .
H58 H 0.4835 1.3792 -0.0256 0.071 Uiso 1 1 calc R
H59 H 0.5627 1.3171 -0.0291 0.071 Uiso 1 1 calc R
H60 H 0.6031 1.4157 -0.0115 0.071 Uiso 1 1 calc R
K2 K 0.63125(4) 0.87400(4) 0.10205(2) 0.03183(13) Uani 1 1 d .
C46 C 0.7980(3) 0.8977(2) 0.22817(15) 0.0630(10) Uani 1 1 d .
H61 H 0.7977 0.9589 0.2311 0.094 Uiso 1 1 calc R
H62 H 0.8460 0.8870 0.2060 0.094 Uiso 1 1 calc R
H63 H 0.8187 0.8779 0.2627 0.094 Uiso 1 1 calc R
O5 O 0.69961(16) 0.85371(14) 0.20607(8) 0.0451(5) Uani 1 1 d .
C47 C 0.6240(3) 0.8703(2) 0.23424(12) 0.0547(9) Uani 1 1 d .
H64 H 0.6136 0.9296 0.2303 0.066 Uiso 1 1 calc R
H65 H 0.6464 0.8630 0.2716 0.066 Uiso 1 1 calc R
C48 C 0.5272(3) 0.8103(3) 0.21404(13) 0.0573(9) Uani 1 1 d .
H66 H 0.5378 0.7510 0.2177 0.069 Uiso 1 1 calc R
H67 H 0.4749 0.8199 0.2343 0.069 Uiso 1 1 calc R
O6 O 0.49385(15) 0.82327(13) 0.16102(8) 0.0406(5) Uani 1 1 d .
C49 C 0.3994(3) 0.7679(2) 0.13934(15) 0.0561(9) Uani 1 1 d .
H68 H 0.4086 0.7086 0.1406 0.084 Uiso 1 1 calc R
H69 H 0.3777 0.7807 0.1032 0.084 Uiso 1 1 calc R
H70 H 0.3474 0.7767 0.1594 0.084 Uiso 1 1 calc R
V2 V 0.04656(3) 0.51486(3) 0.461671(15) 0.02064(10) Uani 1 1 d .
N3 N 0.01944(14) 0.42534(12) 0.50133(8) 0.0226(4) Uani 1 1 d .
O7 O -0.01823(13) 0.49602(13) 0.39118(7) 0.0354(4) Uani 1 1 d .
C50 C -0.02337(18) 0.47820(16) 0.34011(9) 0.0241(5) Uani 1 1 d .
C51 C -0.11486(18) 0.43735(15) 0.30736(9) 0.0241(5) Uani 1 1 d .
C52 C -0.11296(18) 0.42340(16) 0.25460(9) 0.0255(5) Uani 1 1 d .
H71 H -0.1742 0.3968 0.2323 0.031 Uiso 1 1 calc R
C53 C -0.02666(19) 0.44625(16) 0.23312(9) 0.0257(5) Uani 1 1 d .
C54 C 0.06170(18) 0.48579(16) 0.26612(9) 0.0253(5) Uani 1 1 d .
H72 H 0.1220 0.5015 0.2524 0.030 Uiso 1 1 calc R
C55 C 0.06478(17) 0.50323(15) 0.31865(9) 0.0234(5) Uani 1 1 d .
C56 C -0.21114(18) 0.40110(17) 0.32860(10) 0.0286(5) Uani 1 1 d .
C57 C -0.2405(2) 0.4651(2) 0.36475(12) 0.0430(7) Uani 1 1 d .
H73 H -0.3039 0.4399 0.3757 0.064 Uiso 1 1 calc R
H74 H -0.2502 0.5164 0.3465 0.064 Uiso 1 1 calc R
H75 H -0.1863 0.4803 0.3953 0.064 Uiso 1 1 calc R
C58 C -0.3036(2) 0.3715(2) 0.28524(11) 0.0398(7) Uani 1 1 d .
H76 H -0.2907 0.3249 0.2637 0.060 Uiso 1 1 calc R
H77 H -0.3156 0.4190 0.2638 0.060 Uiso 1 1 calc R
H78 H -0.3636 0.3515 0.3005 0.060 Uiso 1 1 calc R
C59 C -0.1894(2) 0.3238(2) 0.35888(12) 0.0428(7) Uani 1 1 d .
H79 H -0.1300 0.3413 0.3867 0.064 Uiso 1 1 calc R
H80 H -0.1756 0.2803 0.3353 0.064 Uiso 1 1 calc R
H81 H -0.2486 0.3003 0.3739 0.064 Uiso 1 1 calc R
C60 C -0.0281(2) 0.42594(18) 0.17630(10) 0.0333(6) Uani 1 1 d .
H82 H -0.0042 0.3722 0.1722 0.050 Uiso 1 1 calc R
H83 H 0.0166 0.4718 0.1631 0.050 Uiso 1 1 calc R
H84 H -0.0976 0.4206 0.1568 0.050 Uiso 1 1 calc R
C61 C 0.16232(17) 0.54801(15) 0.35295(9) 0.0239(5) Uani 1 1 d .
H85 H 0.1462 0.5916 0.3761 0.029 Uiso 1 1 calc R
H86 H 0.2072 0.5779 0.3308 0.029 Uiso 1 1 calc R
N4 N 0.19159(14) 0.55775(12) 0.46595(7) 0.0206(4) Uani 1 1 d .
C62 C 0.23427(16) 0.49620(14) 0.44020(9) 0.0200(4) Uani 1 1 d .
C63 C 0.21987(16) 0.48955(14) 0.38594(9) 0.0204(5) Uani 1 1 d .
C64 C 0.26274(17) 0.42921(15) 0.36149(9) 0.0227(5) Uani 1 1 d .
H87 H 0.2508 0.4235 0.3247 0.027 Uiso 1 1 calc R
C65 C 0.32198(17) 0.37769(15) 0.38943(9) 0.0222(5) Uani 1 1 d .
C66 C 0.33552(17) 0.38580(15) 0.44354(9) 0.0221(5) Uani 1 1 d .
H88 H 0.3754 0.3508 0.4634 0.027 Uiso 1 1 calc R
C67 C 0.29272(16) 0.44324(14) 0.46931(9) 0.0197(4) Uani 1 1 d .
C68 C 0.37232(19) 0.31319(16) 0.36392(9) 0.0264(5) Uani 1 1 d .
C69 C 0.3496(2) 0.3118(2) 0.30471(10) 0.0432(7) Uani 1 1 d .
H89 H 0.3753 0.3682 0.2936 0.065 Uiso 1 1 calc R
H90 H 0.2760 0.2969 0.2922 0.065 Uiso 1 1 calc R
H91 H 0.3830 0.2696 0.2903 0.065 Uiso 1 1 calc R
C70 C 0.48772(19) 0.33636(18) 0.38212(11) 0.0328(6) Uani 1 1 d .
H92 H 0.5202 0.2941 0.3670 0.049 Uiso 1 1 calc R
H93 H 0.5040 0.3370 0.4200 0.049 Uiso 1 1 calc R
H94 H 0.5128 0.3928 0.3709 0.049 Uiso 1 1 calc R
C71 C 0.3334(2) 0.22404(17) 0.38044(12) 0.0387(7) Uani 1 1 d .
H95 H 0.2594 0.2098 0.3696 0.058 Uiso 1 1 calc R
H96 H 0.3514 0.2231 0.4182 0.058 Uiso 1 1 calc R
H97 H 0.3647 0.1823 0.3640 0.058 Uiso 1 1 calc R
C72 C 0.25687(17) 0.63572(14) 0.48270(9) 0.0208(5) Uani 1 1 d .
C73 C 0.22514(18) 0.69696(15) 0.51214(9) 0.0252(5) Uani 1 1 d .
H98 H 0.1597 0.6850 0.5212 0.030 Uiso 1 1 calc R
C74 C 0.28809(19) 0.77486(16) 0.52819(10) 0.0282(5) Uani 1 1 d .
H99 H 0.2647 0.8150 0.5483 0.034 Uiso 1 1 calc R
C75 C 0.38434(19) 0.79615(15) 0.51583(9) 0.0256(5) Uani 1 1 d .
C76 C 0.41585(19) 0.73513(16) 0.48677(10) 0.0270(5) Uani 1 1 d .
H100 H 0.4813 0.7477 0.4777 0.032 Uiso 1 1 calc R
C77 C 0.35435(17) 0.65615(15) 0.47051(9) 0.0235(5) Uani 1 1 d .
H101 H 0.3786 0.6158 0.4510 0.028 Uiso 1 1 calc R
C78 C 0.4531(2) 0.88054(16) 0.53384(11) 0.0339(6) Uani 1 1 d .
H102 H 0.4126 0.9212 0.5437 0.051 Uiso 1 1 calc R
H103 H 0.4869 0.9023 0.5057 0.051 Uiso 1 1 calc R
H104 H 0.5043 0.8730 0.5638 0.051 Uiso 1 1 calc R
C79 C 0.30613(18) 0.45003(15) 0.52799(9) 0.0226(5) Uani 1 1 d .
H105 H 0.3540 0.5036 0.5410 0.027 Uiso 1 1 calc R
H106 H 0.2398 0.4549 0.5372 0.027 Uiso 1 1 calc R
O8 O 0.19472(12) 0.28132(11) 0.51757(6) 0.0257(4) Uani 1 1 d .
C80 C 0.28376(17) 0.29454(15) 0.54880(9) 0.0220(5) Uani 1 1 d .
C81 C 0.32278(18) 0.22783(15) 0.57664(9) 0.0230(5) Uani 1 1 d .
C82 C 0.41453(18) 0.24858(16) 0.61214(9) 0.0268(5) Uani 1 1 d .
H107 H 0.4390 0.2046 0.6313 0.032 Uiso 1 1 calc R
C83 C 0.47166(19) 0.33082(16) 0.62073(10) 0.0274(5) Uani 1 1 d .
C84 C 0.43595(18) 0.39396(16) 0.59197(9) 0.0247(5) Uani 1 1 d .
H108 H 0.4753 0.4499 0.5965 0.030 Uiso 1 1 calc R
C85 C 0.34428(17) 0.37824(15) 0.55659(9) 0.0216(5) Uani 1 1 d .
C86 C 0.26302(19) 0.13650(16) 0.56743(10) 0.0288(5) Uani 1 1 d .
C87 C 0.2466(2) 0.10771(17) 0.50951(10) 0.0340(6) Uani 1 1 d .
H109 H 0.2111 0.1470 0.4887 0.051 Uiso 1 1 calc R
H110 H 0.2057 0.0502 0.5035 0.051 Uiso 1 1 calc R
H111 H 0.3126 0.1077 0.4995 0.051 Uiso 1 1 calc R
C88 C 0.1601(2) 0.13275(17) 0.58473(11) 0.0342(6) Uani 1 1 d .
H112 H 0.1716 0.1489 0.6219 0.051 Uiso 1 1 calc R
H113 H 0.1206 0.0747 0.5780 0.051 Uiso 1 1 calc R
H114 H 0.1224 0.1722 0.5653 0.051 Uiso 1 1 calc R
C89 C 0.3187(2) 0.07276(17) 0.59808(12) 0.0376(6) Uani 1 1 d .
H115 H 0.3856 0.0751 0.5885 0.056 Uiso 1 1 calc R
H116 H 0.2787 0.0152 0.5899 0.056 Uiso 1 1 calc R
H117 H 0.3274 0.0874 0.6353 0.056 Uiso 1 1 calc R
C90 C 0.5707(2) 0.34900(19) 0.65941(11) 0.0399(7) Uani 1 1 d .
H118 H 0.6215 0.3225 0.6461 0.060 Uiso 1 1 calc R
H119 H 0.5599 0.3257 0.6925 0.060 Uiso 1 1 calc R
H120 H 0.5948 0.4106 0.6647 0.060 Uiso 1 1 calc R
K3 K 0.09125(4) 0.31214(3) 0.43376(2) 0.02666(12) Uani 1 1 d .
C91 C 0.0413(2) 0.2543(2) 0.29626(11) 0.0416(7) Uani 1 1 d .
H121 H 0.0459 0.2147 0.2679 0.062 Uiso 1 1 calc R
H122 H 0.0994 0.3015 0.3011 0.062 Uiso 1 1 calc R
H123 H -0.0220 0.2764 0.2877 0.062 Uiso 1 1 calc R
O9 O 0.04193(14) 0.21105(12) 0.34268(7) 0.0370(4) Uani 1 1 d .
C92 C -0.0407(2) 0.14141(18) 0.33802(12) 0.0411(7) Uani 1 1 d .
H124 H -0.0348 0.0983 0.3114 0.049 Uiso 1 1 calc R
H125 H -0.1057 0.1613 0.3271 0.049 Uiso 1 1 calc R
C93 C -0.0391(3) 0.10336(19) 0.38865(13) 0.0473(8) Uani 1 1 d .
H126 H -0.0940 0.0527 0.3854 0.057 Uiso 1 1 calc R
H127 H 0.0268 0.0850 0.3999 0.057 Uiso 1 1 calc R
O10 O -0.05292(16) 0.16420(12) 0.42596(8) 0.0423(5) Uani 1 1 d .
C94 C -0.0580(2) 0.1312(2) 0.47475(13) 0.0499(8) Uani 1 1 d .
H128 H -0.1192 0.0873 0.4719 0.075 Uiso 1 1 calc R
H129 H -0.0606 0.1771 0.4998 0.075 Uiso 1 1 calc R
H130 H 0.0023 0.1063 0.4865 0.075 Uiso 1 1 calc R
K4 K -0.11148(4) 0.65197(4) 0.41079(2) 0.02973(13) Uani 1 1 d .
C95 C -0.2733(3) 0.6632(3) 0.28340(14) 0.0623(10) Uani 1 1 d .
H131 H -0.2905 0.6956 0.2530 0.093 Uiso 1 1 calc R
H132 H -0.3233 0.6644 0.3060 0.093 Uiso 1 1 calc R
H133 H -0.2739 0.6042 0.2720 0.093 Uiso 1 1 calc R
O11 O -0.17459(16) 0.70026(15) 0.31128(8) 0.0460(5) Uani 1 1 d .
C96 C -0.0973(3) 0.6974(2) 0.28152(12) 0.0515(8) Uani 1 1 d .
H134 H -0.1187 0.7163 0.2464 0.062 Uiso 1 1 calc R
H135 H -0.0854 0.6384 0.2780 0.062 Uiso 1 1 calc R
C97 C -0.0016(3) 0.7548(2) 0.30852(12) 0.0522(8) Uani 1 1 d .
H136 H 0.0524 0.7555 0.2876 0.063 Uiso 1 1 calc R
H137 H -0.0139 0.8135 0.3127 0.063 Uiso 1 1 calc R
O12 O 0.02970(15) 0.72420(13) 0.35792(8) 0.0425(5) Uani 1 1 d .
C98 C 0.1224(3) 0.7739(2) 0.38482(16) 0.0651(11) Uani 1 1 d .
H138 H 0.1759 0.7722 0.3644 0.098 Uiso 1 1 calc R
H139 H 0.1417 0.7509 0.4186 0.098 Uiso 1 1 calc R
H140 H 0.1137 0.8329 0.3901 0.098 Uiso 1 1 calc R
C99 C 0.2173(3) 0.6200(2) 0.18192(14) 0.0486(8) Uani 1 1 d .
C100 C 0.1895(3) 0.6149(3) 0.12829(16) 0.0683(11) Uani 1 1 d .
H141 H 0.1423 0.6475 0.1120 0.082 Uiso 1 1 calc R
C101 C 0.2304(4) 0.5628(3) 0.09904(17) 0.0784(13) Uani 1 1 d .
H142 H 0.2108 0.5592 0.0623 0.094 Uiso 1 1 calc R
C102 C 0.2987(4) 0.5161(3) 0.12155(18) 0.0746(13) Uani 1 1 d .
H143 H 0.3277 0.4812 0.1008 0.089 Uiso 1 1 calc R
C103 C 0.3254(3) 0.5199(3) 0.17506(19) 0.0705(12) Uani 1 1 d .
H144 H 0.3714 0.4862 0.1913 0.085 Uiso 1 1 calc R
C104 C 0.2853(2) 0.5723(2) 0.20449(14) 0.0519(8) Uani 1 1 d .
H145 H 0.3049 0.5756 0.2412 0.062 Uiso 1 1 calc R
C105 C 0.1731(4) 0.6777(3) 0.21415(19) 0.0834(14) Uani 1 1 d .
H146 H 0.1062 0.6487 0.2193 0.125 Uiso 1 1 calc R
H147 H 0.1659 0.7298 0.1962 0.125 Uiso 1 1 calc R
H148 H 0.2183 0.6924 0.2479 0.125 Uiso 1 1 calc R
C106 C 0.2368(2) 0.98061(19) 0.32474(12) 0.0415(7) Uani 1 1 d .
C107 C 0.2764(2) 0.91937(19) 0.30139(12) 0.0420(7) Uani 1 1 d .
H149 H 0.2581 0.9077 0.2649 0.050 Uiso 1 1 calc R
C108 C 0.3418(2) 0.8749(2) 0.33007(14) 0.0488(8) Uani 1 1 d .
H150 H 0.3696 0.8338 0.3131 0.059 Uiso 1 1 calc R
C109 C 0.3676(3) 0.8894(2) 0.38360(14) 0.0523(8) Uani 1 1 d .
H151 H 0.4122 0.8580 0.4035 0.063 Uiso 1 1 calc R
C110 C 0.3276(3) 0.9500(2) 0.40750(13) 0.0511(8) Uani 1 1 d .
H152 H 0.3444 0.9603 0.4441 0.061 Uiso 1 1 calc R
C111 C 0.2636(3) 0.9956(2) 0.37854(13) 0.0497(8) Uani 1 1 d .
H153 H 0.2372 1.0377 0.3954 0.060 Uiso 1 1 calc R
C112 C 0.1675(3) 1.0316(3) 0.29337(15) 0.0707(12) Uani 1 1 d .
H154 H 0.1944 1.0489 0.2623 0.106 Uiso 1 1 calc R
H155 H 0.1637 1.0823 0.3143 0.106 Uiso 1 1 calc R
H156 H 0.0994 0.9967 0.2831 0.106 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'
N N 0.0061 0.0033 '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'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
N1 V1 N1 89.59(9) . 2_675
N1 V1 O1 116.41(9) . .
N1 V1 O1 109.68(9) 2_675 .
N1 V1 N2 116.49(8) . .
N1 V1 N2 113.55(8) 2_675 .
O1 V1 N2 109.65(8) . .
N1 V1 V1 45.28(6) . 2_675
N1 V1 V1 44.30(6) 2_675 2_675
O1 V1 V1 123.37(6) . 2_675
N2 V1 V1 126.55(6) . 2_675
N1 V1 K1 146.16(7) . .
N1 V1 K1 59.89(6) 2_675 .
O1 V1 K1 67.01(6) . .
N2 V1 K1 90.83(6) . .
V1 V1 K1 102.93(2) 2_675 .
N1 V1 K2 49.76(6) . .
N1 V1 K2 127.48(6) 2_675 .
O1 V1 K2 72.84(6) . .
N2 V1 K2 114.20(6) . .
V1 V1 K2 88.92(2) 2_675 .
K1 V1 K2 138.045(18) . .
V1 N1 V1 90.41(9) . 2_675
V1 N1 N1 45.70(6) . 2_675
V1 N1 N1 44.71(6) 2_675 2_675
V1 N1 K2 100.81(8) . .
V1 N1 K2 141.97(9) 2_675 .
N1 N1 K2 134.08(12) 2_675 .
V1 N1 K1 164.51(10) . 2_675
V1 N1 K1 87.53(7) 2_675 2_675
N1 N1 K1 130.33(12) 2_675 2_675
K2 N1 K1 90.15(6) . 2_675
C1 O1 V1 154.03(17) . .
C1 O1 K1 111.87(15) . .
V1 O1 K1 79.66(6) . .
O1 C1 C6 118.7(2) . .
O1 C1 C2 121.6(2) . .
C6 C1 C2 119.7(2) . .
C3 C2 C1 117.3(2) . .
C3 C2 C7 120.4(2) . .
C1 C2 C7 122.2(2) . .
C4 C3 C2 123.9(2) . .
C4 C3 H1 118.0 . .
C2 C3 H1 118.0 . .
C5 C4 C3 116.9(2) . .
C5 C4 C11 121.5(2) . .
C3 C4 C11 121.5(2) . .
C6 C5 C4 122.1(2) . .
C6 C5 H2 119.0 . .
C4 C5 H2 119.0 . .
C5 C6 C1 120.1(2) . .
C5 C6 C12 120.0(2) . .
C1 C6 C12 119.9(2) . .
C10 C7 C9 107.7(2) . .
C10 C7 C8 109.5(2) . .
C9 C7 C8 106.8(2) . .
C10 C7 C2 108.6(2) . .
C9 C7 C2 112.1(2) . .
C8 C7 C2 112.1(2) . .
C7 C8 H3 109.5 . .
C7 C8 H4 109.5 . .
H3 C8 H4 109.5 . .
C7 C8 H5 109.5 . .
H3 C8 H5 109.5 . .
H4 C8 H5 109.5 . .
C7 C9 H6 109.5 . .
C7 C9 H7 109.5 . .
H6 C9 H7 109.5 . .
C7 C9 H8 109.5 . .
H6 C9 H8 109.5 . .
H7 C9 H8 109.5 . .
C7 C10 H9 109.5 . .
C7 C10 H10 109.5 . .
H9 C10 H10 109.5 . .
C7 C10 H11 109.5 . .
H9 C10 H11 109.5 . .
H10 C10 H11 109.5 . .
C4 C11 H12 109.5 . .
C4 C11 H13 109.5 . .
H12 C11 H13 109.5 . .
C4 C11 H14 109.5 . .
H12 C11 H14 109.5 . .
H13 C11 H14 109.5 . .
C14 C12 C6 116.1(2) . .
C14 C12 H15 108.3 . .
C6 C12 H15 108.3 . .
C14 C12 H16 108.3 . .
C6 C12 H16 108.3 . .
H15 C12 H16 107.4 . .
C23 N2 C13 116.71(18) . .
C23 N2 V1 135.59(15) . .
C13 N2 V1 107.64(14) . .
C14 C13 C18 119.5(2) . .
C14 C13 N2 119.5(2) . .
C18 C13 N2 120.9(2) . .
C14 C13 K1 86.42(13) . .
C18 C13 K1 73.41(12) . .
N2 C13 K1 108.45(13) . .
C15 C14 C13 119.1(2) . .
C15 C14 C12 119.4(2) . .
C13 C14 C12 121.4(2) . .
C15 C14 K1 82.74(14) . .
C13 C14 K1 69.59(13) . .
C12 C14 K1 120.64(14) . .
C16 C15 C14 122.4(2) . .
C16 C15 H17 118.8 . .
C14 C15 H17 118.8 . .
C15 C16 C17 117.3(2) . .
C15 C16 C19 123.8(2) . .
C17 C16 C19 118.9(2) . .
C15 C16 K1 80.33(14) . .
C17 C16 K1 69.42(13) . .
C19 C16 K1 120.41(15) . .
C18 C17 C16 122.5(2) . .
C18 C17 K1 71.47(13) . .
C16 C17 K1 87.15(14) . .
C18 C17 H18 118.8 . .
C16 C17 H18 118.8 . .
K1 C17 H18 112.4 . .
C17 C18 C13 119.2(2) . .
C17 C18 C30 121.8(2) . .
C13 C18 C30 119.1(2) . .
C17 C18 K1 83.73(13) . .
C13 C18 K1 81.07(13) . .
C30 C18 K1 104.08(14) . .
C16 C19 C21 109.1(2) . .
C16 C19 C20 112.4(2) . .
C21 C19 C20 108.0(2) . .
C16 C19 C22 109.1(2) . .
C21 C19 C22 109.9(2) . .
C20 C19 C22 108.4(2) . .
C19 C20 H19 109.5 . .
C19 C20 H20 109.5 . .
H19 C20 H20 109.5 . .
C19 C20 H21 109.5 . .
H19 C20 H21 109.5 . .
H20 C20 H21 109.5 . .
C19 C21 H22 109.5 . .
C19 C21 H23 109.5 . .
H22 C21 H23 109.5 . .
C19 C21 H24 109.5 . .
H22 C21 H24 109.5 . .
H23 C21 H24 109.5 . .
C19 C22 H25 109.5 . .
C19 C22 H26 109.5 . .
H25 C22 H26 109.5 . .
C19 C22 H27 109.5 . .
H25 C22 H27 109.5 . .
H26 C22 H27 109.5 . .
C28 C23 C24 117.0(2) . .
C28 C23 N2 122.8(2) . .
C24 C23 N2 120.3(2) . .
C25 C24 C23 121.1(2) . .
C25 C24 H28 119.4 . .
C23 C24 H28 119.4 . .
C24 C25 C26 122.0(2) . .
C24 C25 H29 119.0 . .
C26 C25 H29 119.0 . .
C27 C26 C25 117.0(2) . .
C27 C26 C29 121.7(2) . .
C25 C26 C29 121.2(2) . .
C28 C27 C26 121.5(2) . .
C28 C27 H30 119.3 . .
C26 C27 H30 119.3 . .
C27 C28 C23 121.4(2) . .
C27 C28 H31 119.3 . .
C23 C28 H31 119.3 . .
C26 C29 H32 109.5 . .
C26 C29 H33 109.5 . .
H32 C29 H33 109.5 . .
C26 C29 H34 109.5 . .
H32 C29 H34 109.5 . .
H33 C29 H34 109.5 . .
C36 C30 C18 116.82(19) . .
C36 C30 K2 71.92(12) . 2_675
C18 C30 K2 120.61(14) . 2_675
C36 C30 H35 108.1 . .
C18 C30 H35 108.1 . .
K2 C30 H35 36.7 2_675 .
C36 C30 H36 108.1 . .
C18 C30 H36 108.1 . .
K2 C30 H36 125.2 2_675 .
H35 C30 H36 107.3 . .
C31 O2 K1 146.96(15) . .
C31 O2 K2 90.42(13) . 2_675
K1 O2 K2 103.56(6) . 2_675
O2 C31 C32 122.5(2) . .
O2 C31 C36 120.0(2) . .
C32 C31 C36 117.5(2) . .
O2 C31 K2 63.12(12) . 2_675
C32 C31 K2 114.44(15) . 2_675
C36 C31 K2 91.37(14) . 2_675
C33 C32 C31 119.0(2) . .
C33 C32 C37 120.7(2) . .
C31 C32 C37 120.3(2) . .
C34 C33 C32 123.0(2) . .
C34 C33 H37 118.5 . .
C32 C33 H37 118.5 . .
C35 C34 C33 117.5(2) . .
C35 C34 C41 122.0(2) . .
C33 C34 C41 120.4(2) . .
C34 C35 C36 122.3(2) . .
C34 C35 H38 118.9 . .
C36 C35 H38 118.9 . .
C35 C36 C31 120.5(2) . .
C35 C36 C30 119.7(2) . .
C31 C36 C30 119.8(2) . .
C35 C36 K2 124.10(15) . 2_675
C31 C36 K2 62.98(12) . 2_675
C30 C36 K2 82.28(13) . 2_675
C32 C37 C39 109.3(2) . .
C32 C37 C40 113.1(2) . .
C39 C37 C40 107.5(2) . .
C32 C37 C38 109.9(2) . .
C39 C37 C38 110.4(2) . .
C40 C37 C38 106.5(2) . .
C37 C38 H39 109.5 . .
C37 C38 H40 109.5 . .
H39 C38 H40 109.5 . .
C37 C38 H41 109.5 . .
H39 C38 H41 109.5 . .
H40 C38 H41 109.5 . .
C37 C39 H42 109.5 . .
C37 C39 H43 109.5 . .
H42 C39 H43 109.5 . .
C37 C39 H44 109.5 . .
H42 C39 H44 109.5 . .
H43 C39 H44 109.5 . .
C37 C40 H45 109.5 . .
C37 C40 H46 109.5 . .
H45 C40 H46 109.5 . .
C37 C40 H47 109.5 . .
H45 C40 H47 109.5 . .
H46 C40 H47 109.5 . .
C34 C41 H48 109.5 . .
C34 C41 H49 109.5 . .
H48 C41 H49 109.5 . .
C34 C41 H50 109.5 . .
H48 C41 H50 109.5 . .
H49 C41 H50 109.5 . .
O2 K1 O3 125.63(6) . .
O2 K1 O4 94.12(6) . .
O3 K1 O4 60.73(6) . .
O2 K1 N1 81.44(6) . 2_675
O3 K1 N1 146.90(6) . 2_675
O4 K1 N1 103.07(6) . 2_675
O2 K1 C18 65.89(6) . .
O3 K1 C18 125.68(6) . .
O4 K1 C18 159.26(6) . .
N1 K1 C18 80.27(6) 2_675 .
O2 K1 O1 136.28(5) . .
O3 K1 O1 97.95(6) . .
O4 K1 O1 112.29(5) . .
N1 K1 O1 59.59(5) 2_675 .
C18 K1 O1 87.23(5) . .
O2 K1 C13 89.04(6) . .
O3 K1 C13 121.29(6) . .
O4 K1 C13 173.78(6) . .
N1 K1 C13 72.08(6) 2_675 .
C18 K1 C13 25.52(6) . .
O1 K1 C13 62.05(5) . .
O2 K1 C17 66.42(6) . .
O3 K1 C17 103.93(6) . .
O4 K1 C17 142.79(6) . .
N1 K1 C17 104.74(6) 2_675 .
C18 K1 C17 24.80(6) . .
O1 K1 C17 102.98(5) . .
C13 K1 C17 43.42(6) . .
O2 K1 V1 102.97(4) . .
O3 K1 V1 131.26(5) . .
O4 K1 V1 124.88(4) . .
N1 K1 V1 32.58(4) 2_675 .
C18 K1 V1 68.10(4) . .
O1 K1 V1 33.33(3) . .
C13 K1 V1 49.03(4) . .
C17 K1 V1 91.27(4) . .
O2 K1 C14 108.84(6) . .
O3 K1 C14 97.92(6) . .
O4 K1 C14 155.59(6) . .
N1 K1 C14 88.82(6) 2_675 .
C18 K1 C14 43.03(5) . .
O1 K1 C14 55.70(5) . .
C13 K1 C14 23.98(5) . .
C17 K1 C14 48.68(6) . .
V1 K1 C14 58.86(4) . .
O2 K1 C44 96.02(7) . .
O3 K1 C44 42.70(7) . .
O4 K1 C44 22.99(6) . .
N1 K1 C44 126.04(7) 2_675 .
C18 K1 C44 147.01(7) . .
O1 K1 C44 121.97(6) . .
C13 K1 C44 161.69(7) . .
C17 K1 C44 123.58(7) . .
V1 K1 C44 144.85(6) . .
C14 K1 C44 140.30(7) . .
O2 K1 C16 87.24(6) . .
O3 K1 C16 83.10(6) . .
O4 K1 C16 136.08(6) . .
N1 K1 C16 120.47(6) 2_675 .
C18 K1 C16 42.64(6) . .
O1 K1 C16 95.64(5) . .
C13 K1 C16 49.36(6) . .
C17 K1 C16 23.43(5) . .
V1 K1 C16 97.20(4) . .
C14 K1 C16 41.13(6) . .
C44 K1 C16 113.16(7) . .
O3 C42 H51 109.5 . .
O3 C42 H52 109.5 . .
H51 C42 H52 109.5 . .
O3 C42 H53 109.5 . .
H51 C42 H53 109.5 . .
H52 C42 H53 109.5 . .
C43 O3 C42 113.1(2) . .
C43 O3 K1 118.51(16) . .
C42 O3 K1 120.99(17) . .
O3 C43 C44 109.1(2) . .
O3 C43 H54 109.9 . .
C44 C43 H54 109.9 . .
O3 C43 H55 109.9 . .
C44 C43 H55 109.9 . .
H54 C43 H55 108.3 . .
O4 C44 C43 109.2(2) . .
O4 C44 K1 51.33(12) . .
C43 C44 K1 83.51(16) . .
O4 C44 H56 109.8 . .
C43 C44 H56 109.8 . .
K1 C44 H56 78.6 . .
O4 C44 H57 109.8 . .
C43 C44 H57 109.8 . .
K1 C44 H57 160.7 . .
H56 C44 H57 108.3 . .
C44 O4 C45 112.0(2) . .
C44 O4 K1 105.68(16) . .
C45 O4 K1 111.53(17) . .
O4 C45 H58 109.5 . .
O4 C45 H59 109.5 . .
H58 C45 H59 109.5 . .
O4 C45 H60 109.5 . .
H58 C45 H60 109.5 . .
H59 C45 H60 109.5 . .
O2 K2 O6 131.19(6) 2_675 .
O2 K2 O5 116.53(6) 2_675 .
O6 K2 O5 61.61(6) . .
O2 K2 N1 82.56(6) 2_675 .
O6 K2 N1 106.63(6) . .
O5 K2 N1 160.91(6) . .
O2 K2 C31 26.46(6) 2_675 2_675
O6 K2 C31 137.95(7) . 2_675
O5 K2 C31 96.15(6) . 2_675
N1 K2 C31 102.03(6) . 2_675
O2 K2 C36 45.48(5) 2_675 2_675
O6 K2 C36 156.21(6) . 2_675
O5 K2 C36 97.44(6) . 2_675
N1 K2 C36 96.47(6) . 2_675
C31 K2 C36 25.65(6) 2_675 2_675
O2 K2 C30 53.86(5) 2_675 2_675
O6 K2 C30 174.95(6) . 2_675
O5 K2 C30 117.20(6) . 2_675
N1 K2 C30 73.08(6) . 2_675
C31 K2 C30 46.17(6) 2_675 2_675
C36 K2 C30 25.80(5) 2_675 2_675
O2 K2 C47 136.38(7) 2_675 .
O6 K2 C47 42.73(8) . .
O5 K2 C47 22.80(7) . .
N1 K2 C47 139.20(7) . .
C31 K2 C47 118.70(7) 2_675 .
C36 K2 C47 119.04(7) 2_675 .
C30 K2 C47 134.67(8) 2_675 .
O2 K2 V1 112.00(4) 2_675 .
O6 K2 V1 86.44(5) . .
O5 K2 V1 131.47(5) . .
N1 K2 V1 29.43(4) . .
C31 K2 V1 129.79(5) 2_675 .
C36 K2 V1 117.13(4) 2_675 .
C30 K2 V1 91.35(4) 2_675 .
C47 K2 V1 110.39(6) . .
O2 K2 K1 37.33(4) 2_675 2_675
O6 K2 K1 123.24(5) . 2_675
O5 K2 K1 152.22(5) . 2_675
N1 K2 K1 46.38(4) . 2_675
C31 K2 K1 61.42(5) 2_675 2_675
C36 K2 K1 69.75(4) 2_675 2_675
C30 K2 K1 60.35(4) 2_675 2_675
C47 K2 K1 161.69(7) . 2_675
V1 K2 K1 75.430(15) . 2_675
O5 C46 H61 109.5 . .
O5 C46 H62 109.5 . .
H61 C46 H62 109.5 . .
O5 C46 H63 109.5 . .
H61 C46 H63 109.5 . .
H62 C46 H63 109.5 . .
C46 O5 C47 113.0(3) . .
C46 O5 K2 116.8(2) . .
C47 O5 K2 108.25(17) . .
O5 C47 C48 109.2(3) . .
O5 C47 K2 48.95(13) . .
C48 C47 K2 81.36(17) . .
O5 C47 H64 109.8 . .
C48 C47 H64 109.8 . .
K2 C47 H64 83.3 . .
O5 C47 H65 109.8 . .
C48 C47 H65 109.8 . .
K2 C47 H65 158.8 . .
H64 C47 H65 108.3 . .
O6 C48 C47 109.4(3) . .
O6 C48 H66 109.8 . .
C47 C48 H66 109.8 . .
O6 C48 H67 109.8 . .
C47 C48 H67 109.8 . .
H66 C48 H67 108.2 . .
C48 O6 C49 112.2(3) . .
C48 O6 K2 119.32(18) . .
C49 O6 K2 120.64(19) . .
O6 C49 H68 109.5 . .
O6 C49 H69 109.5 . .
H68 C49 H69 109.5 . .
O6 C49 H70 109.5 . .
H68 C49 H70 109.5 . .
H69 C49 H70 109.5 . .
N3 V2 N3 89.15(9) 2_566 .
N3 V2 O7 112.00(9) 2_566 .
N3 V2 O7 114.77(9) . .
N3 V2 N4 116.73(8) 2_566 .
N3 V2 N4 113.62(8) . .
O7 V2 N4 109.49(8) . .
N3 V2 V2 44.97(7) 2_566 2_566
N3 V2 V2 44.18(6) . 2_566
O7 V2 V2 123.86(6) . 2_566
N4 V2 V2 126.64(6) . 2_566
N3 V2 K4 54.98(7) 2_566 .
N3 V2 K4 128.83(6) . .
O7 V2 K4 61.56(6) . .
N4 V2 K4 114.93(6) . .
V2 V2 K4 92.48(2) 2_566 .
N3 V2 K3 144.37(7) 2_566 .
N3 V2 K3 56.36(6) . .
O7 V2 K3 79.36(6) . .
N4 V2 K3 88.14(6) . .
V2 V2 K3 100.07(2) 2_566 .
K4 V2 K3 139.057(18) . .
V2 N3 V2 90.85(9) 2_566 .
V2 N3 N3 45.84(6) 2_566 2_566
V2 N3 N3 45.02(7) . 2_566
V2 N3 K4 93.97(8) 2_566 2_566
V2 N3 K4 140.65(9) . 2_566
N3 N3 K4 127.13(12) 2_566 2_566
V2 N3 K3 170.03(10) 2_566 .
V2 N3 K3 92.16(8) . .
N3 N3 K3 136.37(12) 2_566 .
K4 N3 K3 89.72(6) 2_566 .
C50 O7 V2 155.23(16) . .
C50 O7 K4 111.81(15) . .
V2 O7 K4 85.50(7) . .
O7 C50 C55 118.6(2) . .
O7 C50 C51 122.0(2) . .
C55 C50 C51 119.4(2) . .
C52 C51 C50 117.6(2) . .
C52 C51 C56 119.8(2) . .
C50 C51 C56 122.3(2) . .
C53 C52 C51 123.6(2) . .
C53 C52 H71 118.2 . .
C51 C52 H71 118.2 . .
C54 C53 C52 117.4(2) . .
C54 C53 C60 121.3(2) . .
C52 C53 C60 121.2(2) . .
C53 C54 C55 122.0(2) . .
C53 C54 H72 119.0 . .
C55 C54 H72 119.0 . .
C54 C55 C50 119.9(2) . .
C54 C55 C61 120.2(2) . .
C50 C55 C61 119.9(2) . .
C57 C56 C58 107.1(2) . .
C57 C56 C59 108.8(2) . .
C58 C56 C59 108.2(2) . .
C57 C56 C51 112.9(2) . .
C58 C56 C51 112.3(2) . .
C59 C56 C51 107.4(2) . .
C56 C57 H73 109.5 . .
C56 C57 H74 109.5 . .
H73 C57 H74 109.5 . .
C56 C57 H75 109.5 . .
H73 C57 H75 109.5 . .
H74 C57 H75 109.5 . .
C56 C58 H76 109.5 . .
C56 C58 H77 109.5 . .
H76 C58 H77 109.5 . .
C56 C58 H78 109.5 . .
H76 C58 H78 109.5 . .
H77 C58 H78 109.5 . .
C56 C59 H79 109.5 . .
C56 C59 H80 109.5 . .
H79 C59 H80 109.5 . .
C56 C59 H81 109.5 . .
H79 C59 H81 109.5 . .
H80 C59 H81 109.5 . .
C53 C60 H82 109.5 . .
C53 C60 H83 109.5 . .
H82 C60 H83 109.5 . .
C53 C60 H84 109.5 . .
H82 C60 H84 109.5 . .
H83 C60 H84 109.5 . .
C55 C61 C63 114.34(19) . .
C55 C61 H85 108.7 . .
C63 C61 H85 108.7 . .
C55 C61 H86 108.7 . .
C63 C61 H86 108.7 . .
H85 C61 H86 107.6 . .
C72 N4 C62 115.95(18) . .
C72 N4 V2 134.67(15) . .
C62 N4 V2 108.92(14) . .
C63 C62 C67 119.5(2) . .
C63 C62 N4 120.1(2) . .
C67 C62 N4 120.4(2) . .
C63 C62 K3 87.87(13) . .
C67 C62 K3 73.39(12) . .
N4 C62 K3 109.84(13) . .
C62 C63 C64 119.2(2) . .
C62 C63 C61 121.6(2) . .
C64 C63 C61 119.2(2) . .
C62 C63 K3 68.23(12) . .
C64 C63 K3 83.37(13) . .
C61 C63 K3 120.77(14) . .
C65 C64 C63 122.1(2) . .
C65 C64 H87 118.9 . .
C63 C64 H87 118.9 . .
C64 C65 C66 117.5(2) . .
C64 C65 C68 123.3(2) . .
C66 C65 C68 119.1(2) . .
C64 C65 K3 80.37(13) . .
C66 C65 K3 68.15(13) . .
C68 C65 K3 120.96(14) . .
C67 C66 C65 122.3(2) . .
C67 C66 K3 70.81(13) . .
C65 C66 K3 88.57(14) . .
C67 C66 H88 118.9 . .
C65 C66 H88 118.9 . .
K3 C66 H88 111.5 . .
C66 C67 C62 119.3(2) . .
C66 C67 C79 121.7(2) . .
C62 C67 C79 118.9(2) . .
C66 C67 K3 84.28(13) . .
C62 C67 K3 80.86(13) . .
C79 C67 K3 104.22(14) . .
C69 C68 C70 108.2(2) . .
C69 C68 C65 112.6(2) . .
C70 C68 C65 109.0(2) . .
C69 C68 C71 108.6(2) . .
C70 C68 C71 109.4(2) . .
C65 C68 C71 109.0(2) . .
C68 C69 H89 109.5 . .
C68 C69 H90 109.5 . .
H89 C69 H90 109.5 . .
C68 C69 H91 109.5 . .
H89 C69 H91 109.5 . .
H90 C69 H91 109.5 . .
C68 C70 H92 109.5 . .
C68 C70 H93 109.5 . .
H92 C70 H93 109.5 . .
C68 C70 H94 109.5 . .
H92 C70 H94 109.5 . .
H93 C70 H94 109.5 . .
C68 C71 H95 109.5 . .
C68 C71 H96 109.5 . .
H95 C71 H96 109.5 . .
C68 C71 H97 109.5 . .
H95 C71 H97 109.5 . .
H96 C71 H97 109.5 . .
C73 C72 C77 117.5(2) . .
C73 C72 N4 120.2(2) . .
C77 C72 N4 122.3(2) . .
C74 C73 C72 120.8(2) . .
C74 C73 H98 119.6 . .
C72 C73 H98 119.6 . .
C73 C74 C75 122.2(2) . .
C73 C74 H99 118.9 . .
C75 C74 H99 118.9 . .
C74 C75 C76 116.9(2) . .
C74 C75 C78 122.0(2) . .
C76 C75 C78 121.0(2) . .
C75 C76 C77 122.0(2) . .
C75 C76 H100 119.0 . .
C77 C76 H100 119.0 . .
C76 C77 C72 120.6(2) . .
C76 C77 H101 119.7 . .
C72 C77 H101 119.7 . .
C75 C78 H102 109.5 . .
C75 C78 H103 109.5 . .
H102 C78 H103 109.5 . .
C75 C78 H104 109.5 . .
H102 C78 H104 109.5 . .
H103 C78 H104 109.5 . .
C85 C79 C67 117.00(19) . .
C85 C79 K4 72.26(12) . 2_566
C67 C79 K4 119.93(14) . 2_566
C85 C79 H105 108.0 . .
C67 C79 H105 108.0 . .
K4 C79 H105 125.7 2_566 .
C85 C79 H106 108.0 . .
C67 C79 H106 108.0 . .
K4 C79 H106 36.4 2_566 .
H105 C79 H106 107.3 . .
C80 O8 K3 147.42(15) . .
C80 O8 K4 91.13(13) . 2_566
K3 O8 K4 103.79(6) . 2_566
O8 C80 C85 119.7(2) . .
O8 C80 C81 122.4(2) . .
C85 C80 C81 117.9(2) . .
O8 C80 K4 62.70(11) . 2_566
C85 C80 K4 93.42(14) . 2_566
C81 C80 K4 113.15(15) . 2_566
C82 C81 C80 118.7(2) . .
C82 C81 C86 121.6(2) . .
C80 C81 C86 119.7(2) . .
C83 C82 C81 123.0(2) . .
C83 C82 H107 118.5 . .
C81 C82 H107 118.5 . .
C84 C83 C82 117.9(2) . .
C84 C83 C90 121.7(2) . .
C82 C83 C90 120.4(2) . .
C83 C84 C85 122.2(2) . .
C83 C84 H108 118.9 . .
C85 C84 H108 118.9 . .
C84 C85 C80 120.1(2) . .
C84 C85 C79 120.3(2) . .
C80 C85 C79 119.6(2) . .
C84 C85 K4 124.72(15) . 2_566
C80 C85 K4 61.61(12) . 2_566
C79 C85 K4 82.59(13) . 2_566
C81 C86 C88 109.1(2) . .
C81 C86 C89 112.6(2) . .
C88 C86 C89 107.8(2) . .
C81 C86 C87 109.7(2) . .
C88 C86 C87 110.3(2) . .
C89 C86 C87 107.2(2) . .
C86 C87 H109 109.5 . .
C86 C87 H110 109.5 . .
H109 C87 H110 109.5 . .
C86 C87 H111 109.5 . .
H109 C87 H111 109.5 . .
H110 C87 H111 109.5 . .
C86 C88 H112 109.5 . .
C86 C88 H113 109.5 . .
H112 C88 H113 109.5 . .
C86 C88 H114 109.5 . .
H112 C88 H114 109.5 . .
H113 C88 H114 109.5 . .
C86 C89 H115 109.5 . .
C86 C89 H116 109.5 . .
H115 C89 H116 109.5 . .
C86 C89 H117 109.5 . .
H115 C89 H117 109.5 . .
H116 C89 H117 109.5 . .
C83 C90 H118 109.5 . .
C83 C90 H119 109.5 . .
H118 C90 H119 109.5 . .
C83 C90 H120 109.5 . .
H118 C90 H120 109.5 . .
H119 C90 H120 109.5 . .
O8 K3 O9 126.74(6) . .
O8 K3 O10 95.35(6) . .
O9 K3 O10 60.59(6) . .
O8 K3 N3 82.56(6) . .
O9 K3 N3 145.15(6) . .
O10 K3 N3 102.88(6) . .
O8 K3 C67 66.15(6) . .
O9 K3 C67 125.21(6) . .
O10 K3 C67 160.65(6) . .
N3 K3 C67 81.14(6) . .
O8 K3 C62 89.34(6) . .
O9 K3 C62 120.53(6) . .
O10 K3 C62 172.66(6) . .
N3 K3 C62 72.10(6) . .
C67 K3 C62 25.75(6) . .
O8 K3 C66 67.00(6) . .
O9 K3 C66 103.52(6) . .
O10 K3 C66 143.57(6) . .
N3 K3 C66 105.81(6) . .
C67 K3 C66 24.91(6) . .
C62 K3 C66 43.72(6) . .
O8 K3 C63 109.14(6) . .
O9 K3 C63 97.15(6) . .
O10 K3 C63 154.27(6) . .
N3 K3 C63 88.39(6) . .
C67 K3 C63 43.04(6) . .
C62 K3 C63 23.91(5) . .
C66 K3 C63 48.72(6) . .
O8 K3 V2 102.29(4) . .
O9 K3 V2 130.83(5) . .
O10 K3 V2 124.44(5) . .
N3 K3 V2 31.48(4) . .
C67 K3 V2 67.94(4) . .
C62 K3 V2 48.75(4) . .
C66 K3 V2 91.23(4) . .
C63 K3 V2 58.86(4) . .
O8 K3 C65 87.90(6) . .
O9 K3 C65 82.82(6) . .
O10 K3 C65 136.35(6) . .
N3 K3 C65 120.68(6) . .
C67 K3 C65 42.48(5) . .
C62 K3 C65 49.29(6) . .
C66 K3 C65 23.28(5) . .
C63 K3 C65 40.94(5) . .
V2 K3 C65 96.93(4) . .
O8 K3 K4 39.36(4) . 2_566
O9 K3 K4 152.06(5) . 2_566
O10 K3 K4 93.49(5) . 2_566
N3 K3 K4 44.61(4) . 2_566
C67 K3 K4 75.94(4) . 2_566
C62 K3 K4 86.56(4) . 2_566
C66 K3 K4 91.43(4) . 2_566
C63 K3 K4 110.34(4) . 2_566
V2 K3 K4 71.123(14) . 2_566
C65 K3 K4 114.65(4) . 2_566
O9 C91 H121 109.5 . .
O9 C91 H122 109.5 . .
H121 C91 H122 109.5 . .
O9 C91 H123 109.5 . .
H121 C91 H123 109.5 . .
H122 C91 H123 109.5 . .
C91 O9 C92 112.1(2) . .
C91 O9 K3 116.13(16) . .
C92 O9 K3 117.61(16) . .
O9 C92 C93 109.0(2) . .
O9 C92 H124 109.9 . .
C93 C92 H124 109.9 . .
O9 C92 H125 109.9 . .
C93 C92 H125 109.9 . .
H124 C92 H125 108.3 . .
O10 C93 C92 109.5(2) . .
O10 C93 H126 109.8 . .
C92 C93 H126 109.8 . .
O10 C93 H127 109.8 . .
C92 C93 H127 109.8 . .
H126 C93 H127 108.2 . .
C94 O10 C93 113.0(2) . .
C94 O10 K3 111.74(18) . .
C93 O10 K3 111.86(17) . .
O10 C94 H128 109.5 . .
O10 C94 H129 109.5 . .
H128 C94 H129 109.5 . .
O10 C94 H130 109.5 . .
H128 C94 H130 109.5 . .
H129 C94 H130 109.5 . .
O8 K4 O12 130.55(6) 2_566 .
O8 K4 O11 114.03(6) 2_566 .
O12 K4 O11 61.23(6) . .
O8 K4 N3 81.16(5) 2_566 2_566
O12 K4 N3 110.50(6) . 2_566
O11 K4 N3 164.76(6) . 2_566
O8 K4 C80 26.17(5) 2_566 2_566
O12 K4 C80 135.77(7) . 2_566
O11 K4 C80 93.68(6) . 2_566
N3 K4 C80 100.46(6) 2_566 2_566
O8 K4 O7 139.55(5) 2_566 .
O12 K4 O7 81.23(6) . .
O11 K4 O7 102.93(6) . .
N3 K4 O7 62.19(5) 2_566 .
C80 K4 O7 142.48(6) 2_566 .
O8 K4 C85 44.32(5) 2_566 2_566
O12 K4 C85 153.67(6) . 2_566
O11 K4 C85 95.70(6) . 2_566
N3 K4 C85 94.76(6) 2_566 2_566
C80 K4 C85 24.97(6) 2_566 2_566
O7 K4 C85 118.64(6) . 2_566
O8 K4 V2 112.20(4) 2_566 .
O12 K4 V2 90.15(5) . .
O11 K4 V2 133.71(5) . .
N3 K4 V2 31.06(4) 2_566 .
C80 K4 V2 129.23(5) 2_566 .
O7 K4 V2 32.94(3) . .
C85 K4 V2 115.98(4) 2_566 .
O8 K4 C79 52.33(5) 2_566 2_566
O12 K4 C79 176.05(6) . 2_566
O11 K4 C79 115.60(6) . 2_566
N3 K4 C79 71.99(6) 2_566 2_566
C80 K4 C79 45.06(6) 2_566 2_566
O7 K4 C79 97.58(5) . 2_566
C85 K4 C79 25.15(5) 2_566 2_566
V2 K4 C79 90.84(4) . 2_566
O8 K4 C96 133.23(7) 2_566 .
O12 K4 C96 42.35(7) . .
O11 K4 C96 22.33(7) . .
N3 K4 C96 143.89(7) 2_566 .
C80 K4 C96 115.62(7) 2_566 .
O7 K4 C96 86.64(7) . .
C85 K4 C96 117.24(7) 2_566 .
V2 K4 C96 113.74(6) . .
C79 K4 C96 133.97(7) 2_566 .
O8 K4 K3 36.85(4) 2_566 2_566
O12 K4 K3 124.50(5) . 2_566
O11 K4 K3 149.41(5) . 2_566
N3 K4 K3 45.68(4) 2_566 2_566
C80 K4 K3 60.83(5) 2_566 2_566
O7 K4 K3 107.64(4) . 2_566
C85 K4 K3 68.66(4) 2_566 2_566
V2 K4 K3 76.451(15) . 2_566
C79 K4 K3 59.45(4) 2_566 2_566
C96 K4 K3 160.05(6) . 2_566
O11 C95 H131 109.5 . .
O11 C95 H132 109.5 . .
H131 C95 H132 109.5 . .
O11 C95 H133 109.5 . .
H131 C95 H133 109.5 . .
H132 C95 H133 109.5 . .
C96 O11 C95 112.6(3) . .
C96 O11 K4 109.76(17) . .
C95 O11 K4 119.25(19) . .
O11 C96 C97 108.7(3) . .
O11 C96 K4 47.91(13) . .
C97 C96 K4 80.81(17) . .
O11 C96 H134 109.9 . .
C97 C96 H134 109.9 . .
K4 C96 H134 157.8 . .
O11 C96 H135 109.9 . .
C97 C96 H135 109.9 . .
K4 C96 H135 84.7 . .
H134 C96 H135 108.3 . .
O12 C97 C96 108.8(3) . .
O12 C97 H136 109.9 . .
C96 C97 H136 109.9 . .
O12 C97 H137 109.9 . .
C96 C97 H137 109.9 . .
H136 C97 H137 108.3 . .
C98 O12 C97 111.8(3) . .
C98 O12 K4 120.1(2) . .
C97 O12 K4 119.42(18) . .
O12 C98 H138 109.5 . .
O12 C98 H139 109.5 . .
H138 C98 H139 109.5 . .
O12 C98 H140 109.5 . .
H138 C98 H140 109.5 . .
H139 C98 H140 109.5 . .
C104 C99 C100 119.0(4) . .
C104 C99 C105 121.2(4) . .
C100 C99 C105 119.8(4) . .
C101 C100 C99 119.7(4) . .
C101 C100 H141 120.1 . .
C99 C100 H141 120.1 . .
C102 C101 C100 121.2(4) . .
C102 C101 H142 119.4 . .
C100 C101 H142 119.4 . .
C101 C102 C103 119.3(4) . .
C101 C102 H143 120.3 . .
C103 C102 H143 120.3 . .
C104 C103 C102 119.8(4) . .
C104 C103 H144 120.1 . .
C102 C103 H144 120.1 . .
C103 C104 C99 121.0(4) . .
C103 C104 H145 119.5 . .
C99 C104 H145 119.5 . .
C99 C105 H146 109.5 . .
C99 C105 H147 109.5 . .
H146 C105 H147 109.5 . .
C99 C105 H148 109.5 . .
H146 C105 H148 109.5 . .
H147 C105 H148 109.5 . .
C107 C106 C111 118.3(3) . .
C107 C106 C112 121.3(3) . .
C111 C106 C112 120.4(3) . .
C108 C107 C106 121.0(3) . .
C108 C107 H149 119.5 . .
C106 C107 H149 119.5 . .
C107 C108 C109 120.6(3) . .
C107 C108 H150 119.7 . .
C109 C108 H150 119.7 . .
C110 C109 C108 119.0(3) . .
C110 C109 H151 120.5 . .
C108 C109 H151 120.5 . .
C111 C110 C109 120.3(3) . .
C111 C110 H152 119.9 . .
C109 C110 H152 119.9 . .
C110 C111 C106 120.8(3) . .
C110 C111 H153 119.6 . .
C106 C111 H153 119.6 . .
C106 C112 H154 109.5 . .
C106 C112 H155 109.5 . .
H154 C112 H155 109.5 . .
C106 C112 H156 109.5 . .
H154 C112 H156 109.5 . .
H155 C112 H156 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 N1 1.794(2) .
V1 N1 1.825(2) 2_675
V1 O1 1.8915(17) .
V1 N2 1.9535(19) .
V1 V1 2.5682(8) 2_675
V1 K1 3.3863(8) .
V1 K2 3.5856(7) .
N1 V1 1.825(2) 2_675
N1 N1 2.550(4) 2_675
N1 K2 2.786(2) .
N1 K1 2.932(2) 2_675
O1 C1 1.350(3) .
O1 K1 3.169(2) .
C1 C6 1.411(3) .
C1 C2 1.418(3) .
C2 C3 1.399(3) .
C2 C7 1.540(3) .
C3 C4 1.398(3) .
C3 H1 0.9500 .
C4 C5 1.388(3) .
C4 C11 1.508(3) .
C5 C6 1.386(3) .
C5 H2 0.9500 .
C6 C12 1.514(3) .
C7 C10 1.529(4) .
C7 C9 1.532(3) .
C7 C8 1.536(3) .
C8 H3 0.9800 .
C8 H4 0.9800 .
C8 H5 0.9800 .
C9 H6 0.9800 .
C9 H7 0.9800 .
C9 H8 0.9800 .
C10 H9 0.9800 .
C10 H10 0.9800 .
C10 H11 0.9800 .
C11 H12 0.9800 .
C11 H13 0.9800 .
C11 H14 0.9800 .
C12 C14 1.513(3) .
C12 H15 0.9900 .
C12 H16 0.9900 .
N2 C23 1.405(3) .
N2 C13 1.434(3) .
C13 C14 1.404(3) .
C13 C18 1.412(3) .
C13 K1 3.237(2) .
C14 C15 1.402(3) .
C14 K1 3.447(2) .
C15 C16 1.389(3) .
C15 H17 0.9500 .
C16 C17 1.398(3) .
C16 C19 1.527(3) .
C16 K1 3.512(2) .
C17 C18 1.389(3) .
C17 K1 3.292(2) .
C17 H18 0.9500 .
C18 C30 1.516(3) .
C18 K1 3.140(2) .
C19 C21 1.528(4) .
C19 C20 1.529(3) .
C19 C22 1.536(4) .
C20 H19 0.9800 .
C20 H20 0.9800 .
C20 H21 0.9800 .
C21 H22 0.9800 .
C21 H23 0.9800 .
C21 H24 0.9800 .
C22 H25 0.9800 .
C22 H26 0.9800 .
C22 H27 0.9800 .
C23 C28 1.400(3) .
C23 C24 1.402(3) .
C24 C25 1.384(3) .
C24 H28 0.9500 .
C25 C26 1.396(4) .
C25 H29 0.9500 .
C26 C27 1.391(4) .
C26 C29 1.516(4) .
C27 C28 1.390(3) .
C27 H30 0.9500 .
C28 H31 0.9500 .
C29 H32 0.9800 .
C29 H33 0.9800 .
C29 H34 0.9800 .
C30 C36 1.514(3) .
C30 K2 3.447(2) 2_675
C30 H35 0.9900 .
C30 H36 0.9900 .
O2 C31 1.313(3) .
O2 K1 2.5264(17) .
O2 K2 2.6284(18) 2_675
C31 C32 1.430(3) .
C31 C36 1.432(3) .
C31 K2 2.947(2) 2_675
C32 C33 1.399(3) .
C32 C37 1.533(3) .
C33 C34 1.395(4) .
C33 H37 0.9500 .
C34 C35 1.384(3) .
C34 C41 1.512(3) .
C35 C36 1.388(3) .
C35 H38 0.9500 .
C36 K2 3.307(2) 2_675
C37 C39 1.535(4) .
C37 C40 1.538(4) .
C37 C38 1.542(4) .
C38 H39 0.9800 .
C38 H40 0.9800 .
C38 H41 0.9800 .
C39 H42 0.9800 .
C39 H43 0.9800 .
C39 H44 0.9800 .
C40 H45 0.9800 .
C40 H46 0.9800 .
C40 H47 0.9800 .
C41 H48 0.9800 .
C41 H49 0.9800 .
C41 H50 0.9800 .
K1 O3 2.737(2) .
K1 O4 2.826(2) .
K1 N1 2.932(2) 2_675
K1 C44 3.484(3) .
C42 O3 1.421(4) .
C42 H51 0.9800 .
C42 H52 0.9800 .
C42 H53 0.9800 .
O3 C43 1.416(3) .
C43 C44 1.493(4) .
C43 H54 0.9900 .
C43 H55 0.9900 .
C44 O4 1.413(3) .
C44 H56 0.9900 .
C44 H57 0.9900 .
O4 C45 1.420(3) .
C45 H58 0.9800 .
C45 H59 0.9800 .
C45 H60 0.9800 .
K2 O2 2.6284(18) 2_675
K2 O6 2.668(2) .
K2 O5 2.772(2) .
K2 C31 2.947(2) 2_675
K2 C36 3.307(2) 2_675
K2 C30 3.447(2) 2_675
K2 C47 3.491(3) .
K2 K1 4.0503(9) 2_675
C46 O5 1.410(4) .
C46 H61 0.9800 .
C46 H62 0.9800 .
C46 H63 0.9800 .
O5 C47 1.425(4) .
C47 C48 1.486(5) .
C47 H64 0.9900 .
C47 H65 0.9900 .
C48 O6 1.419(4) .
C48 H66 0.9900 .
C48 H67 0.9900 .
O6 C49 1.437(4) .
C49 H68 0.9800 .
C49 H69 0.9800 .
C49 H70 0.9800 .
V2 N3 1.795(2) 2_566
V2 N3 1.820(2) .
V2 O7 1.8928(18) .
V2 N4 1.9520(19) .
V2 V2 2.5751(8) 2_566
V2 K4 3.4703(7) .
V2 K3 3.4834(8) .
N3 V2 1.795(2) 2_566
N3 N3 2.537(4) 2_566
N3 K4 2.849(2) 2_566
N3 K3 2.902(2) .
O7 C50 1.349(3) .
O7 K4 3.061(2) .
C50 C55 1.414(3) .
C50 C51 1.418(3) .
C51 C52 1.401(3) .
C51 C56 1.540(3) .
C52 C53 1.388(3) .
C52 H71 0.9500 .
C53 C54 1.386(3) .
C53 C60 1.513(3) .
C54 C55 1.390(3) .
C54 H72 0.9500 .
C55 C61 1.511(3) .
C56 C57 1.526(4) .
C56 C58 1.532(3) .
C56 C59 1.535(4) .
C57 H73 0.9800 .
C57 H74 0.9800 .
C57 H75 0.9800 .
C58 H76 0.9800 .
C58 H77 0.9800 .
C58 H78 0.9800 .
C59 H79 0.9800 .
C59 H80 0.9800 .
C59 H81 0.9800 .
C60 H82 0.9800 .
C60 H83 0.9800 .
C60 H84 0.9800 .
C61 C63 1.518(3) .
C61 H85 0.9900 .
C61 H86 0.9900 .
N4 C72 1.405(3) .
N4 C62 1.437(3) .
C62 C63 1.401(3) .
C62 C67 1.413(3) .
C62 K3 3.211(2) .
C63 C64 1.406(3) .
C63 K3 3.455(2) .
C64 C65 1.389(3) .
C64 H87 0.9500 .
C65 C66 1.398(3) .
C65 C68 1.534(3) .
C65 K3 3.537(2) .
C66 C67 1.390(3) .
C66 K3 3.283(2) .
C66 H88 0.9500 .
C67 C79 1.517(3) .
C67 K3 3.116(2) .
C68 C69 1.529(3) .
C68 C70 1.531(3) .
C68 C71 1.535(4) .
C69 H89 0.9800 .
C69 H90 0.9800 .
C69 H91 0.9800 .
C70 H92 0.9800 .
C70 H93 0.9800 .
C70 H94 0.9800 .
C71 H95 0.9800 .
C71 H96 0.9800 .
C71 H97 0.9800 .
C72 C73 1.402(3) .
C72 C77 1.404(3) .
C73 C74 1.388(3) .
C73 H98 0.9500 .
C74 C75 1.391(3) .
C74 H99 0.9500 .
C75 C76 1.392(3) .
C75 C78 1.509(3) .
C76 C77 1.394(3) .
C76 H100 0.9500 .
C77 H101 0.9500 .
C78 H102 0.9800 .
C78 H103 0.9800 .
C78 H104 0.9800 .
C79 C85 1.509(3) .
C79 K4 3.521(2) 2_566
C79 H105 0.9900 .
C79 H106 0.9900 .
O8 C80 1.315(3) .
O8 K3 2.5049(17) .
O8 K4 2.6491(18) 2_566
C80 C85 1.430(3) .
C80 C81 1.437(3) .
C80 K4 2.981(2) 2_566
C81 C82 1.399(3) .
C81 C86 1.530(3) .
C82 C83 1.394(4) .
C82 H107 0.9500 .
C83 C84 1.385(3) .
C83 C90 1.512(3) .
C84 C85 1.394(3) .
C84 H108 0.9500 .
C85 K4 3.382(2) 2_566
C86 C88 1.539(4) .
C86 C89 1.539(3) .
C86 C87 1.540(4) .
C87 H109 0.9800 .
C87 H110 0.9800 .
C87 H111 0.9800 .
C88 H112 0.9800 .
C88 H113 0.9800 .
C88 H114 0.9800 .
C89 H115 0.9800 .
C89 H116 0.9800 .
C89 H117 0.9800 .
C90 H118 0.9800 .
C90 H119 0.9800 .
C90 H120 0.9800 .
K3 O9 2.7546(19) .
K3 O10 2.770(2) .
K3 K4 4.0567(9) 2_566
C91 O9 1.419(3) .
C91 H121 0.9800 .
C91 H122 0.9800 .
C91 H123 0.9800 .
O9 C92 1.421(3) .
C92 C93 1.477(4) .
C92 H124 0.9900 .
C92 H125 0.9900 .
C93 O10 1.419(4) .
C93 H126 0.9900 .
C93 H127 0.9900 .
O10 C94 1.408(4) .
C94 H128 0.9800 .
C94 H129 0.9800 .
C94 H130 0.9800 .
K4 O8 2.6491(18) 2_566
K4 O12 2.685(2) .
K4 O11 2.778(2) .
K4 N3 2.849(2) 2_566
K4 C80 2.981(2) 2_566
K4 C85 3.382(2) 2_566
K4 C79 3.521(2) 2_566
K4 C96 3.524(3) .
K4 K3 4.0567(9) 2_566
C95 O11 1.425(4) .
C95 H131 0.9800 .
C95 H132 0.9800 .
C95 H133 0.9800 .
O11 C96 1.423(4) .
C96 C97 1.499(5) .
C96 H134 0.9900 .
C96 H135 0.9900 .
C97 O12 1.421(4) .
C97 H136 0.9900 .
C97 H137 0.9900 .
O12 C98 1.419(4) .
C98 H138 0.9800 .
C98 H139 0.9800 .
C98 H140 0.9800 .
C99 C104 1.368(5) .
C99 C100 1.387(5) .
C99 C105 1.503(5) .
C100 C101 1.368(6) .
C100 H141 0.9500 .
C101 C102 1.359(6) .
C101 H142 0.9500 .
C102 C103 1.384(6) .
C102 H143 0.9500 .
C103 C104 1.366(5) .
C103 H144 0.9500 .
C104 H145 0.9500 .
C105 H146 0.9800 .
C105 H147 0.9800 .
C105 H148 0.9800 .
C106 C107 1.375(4) .
C106 C111 1.396(4) .
C106 C112 1.506(4) .
C107 C108 1.373(4) .
C107 H149 0.9500 .
C108 C109 1.388(5) .
C108 H150 0.9500 .
C109 C110 1.378(5) .
C109 H151 0.9500 .
C110 C111 1.376(5) .
C110 H152 0.9500 .
C111 H153 0.9500 .
C112 H154 0.9800 .
C112 H155 0.9800 .
C112 H156 0.9800 .
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
N1 V1 N1 V1 0.0 2_675 2_675
O1 V1 N1 V1 -111.87(9) . 2_675
N2 V1 N1 V1 116.29(9) . 2_675
K1 V1 N1 V1 -24.29(15) . 2_675
K2 V1 N1 V1 -143.45(11) . 2_675
O1 V1 N1 N1 -111.87(9) . 2_675
N2 V1 N1 N1 116.29(9) . 2_675
V1 V1 N1 N1 0.0 2_675 2_675
K1 V1 N1 N1 -24.29(15) . 2_675
K2 V1 N1 N1 -143.45(11) . 2_675
N1 V1 N1 K2 143.45(11) 2_675 .
O1 V1 N1 K2 31.58(10) . .
N2 V1 N1 K2 -100.26(9) . .
V1 V1 N1 K2 143.45(11) 2_675 .
K1 V1 N1 K2 119.15(9) . .
N1 V1 N1 K1 -82.2(4) 2_675 2_675
O1 V1 N1 K1 165.9(4) . 2_675
N2 V1 N1 K1 34.1(4) . 2_675
V1 V1 N1 K1 -82.2(4) 2_675 2_675
K1 V1 N1 K1 -106.5(4) . 2_675
K2 V1 N1 K1 134.3(4) . 2_675
N1 V1 O1 C1 -97.8(4) . .
N1 V1 O1 C1 162.4(4) 2_675 .
N2 V1 O1 C1 37.1(4) . .
V1 V1 O1 C1 -150.0(4) 2_675 .
K1 V1 O1 C1 119.3(4) . .
K2 V1 O1 C1 -73.1(4) . .
N1 V1 O1 K1 142.81(8) . .
N1 V1 O1 K1 43.08(8) 2_675 .
N2 V1 O1 K1 -82.26(7) . .
V1 V1 O1 K1 90.66(6) 2_675 .
K2 V1 O1 K1 167.54(4) . .
V1 O1 C1 C6 -30.5(5) . .
K1 O1 C1 C6 82.0(2) . .
V1 O1 C1 C2 150.9(3) . .
K1 O1 C1 C2 -96.6(2) . .
O1 C1 C2 C3 177.5(2) . .
C6 C1 C2 C3 -1.0(3) . .
O1 C1 C2 C7 1.3(4) . .
C6 C1 C2 C7 -177.3(2) . .
C1 C2 C3 C4 -0.4(4) . .
C7 C2 C3 C4 175.9(2) . .
C2 C3 C4 C5 0.9(4) . .
C2 C3 C4 C11 180.0(2) . .
C3 C4 C5 C6 0.0(4) . .
C11 C4 C5 C6 -179.1(2) . .
C4 C5 C6 C1 -1.3(4) . .
C4 C5 C6 C12 177.3(2) . .
O1 C1 C6 C5 -176.7(2) . .
C2 C1 C6 C5 1.9(4) . .
O1 C1 C6 C12 4.7(3) . .
C2 C1 C6 C12 -176.7(2) . .
C3 C2 C7 C10 -108.3(3) . .
C1 C2 C7 C10 67.8(3) . .
C3 C2 C7 C9 10.6(3) . .
C1 C2 C7 C9 -173.3(2) . .
C3 C2 C7 C8 130.6(2) . .
C1 C2 C7 C8 -53.3(3) . .
C5 C6 C12 C14 113.3(3) . .
C1 C6 C12 C14 -68.1(3) . .
N1 V1 N2 C23 5.6(2) . .
N1 V1 N2 C23 107.7(2) 2_675 .
O1 V1 N2 C23 -129.3(2) . .
V1 V1 N2 C23 58.1(2) 2_675 .
K1 V1 N2 C23 164.9(2) . .
K2 V1 N2 C23 -49.8(2) . .
N1 V1 N2 C13 -177.48(14) . .
N1 V1 N2 C13 -75.44(16) 2_675 .
O1 V1 N2 C13 47.63(16) . .
V1 V1 N2 C13 -125.00(13) 2_675 .
K1 V1 N2 C13 -18.19(14) . .
K2 V1 N2 C13 127.09(13) . .
C23 N2 C13 C14 101.2(2) . .
V1 N2 C13 C14 -76.4(2) . .
C23 N2 C13 C18 -81.0(3) . .
V1 N2 C13 C18 101.4(2) . .
C23 N2 C13 K1 -162.29(15) . .
V1 N2 C13 K1 20.13(15) . .
C18 C13 C14 C15 0.2(3) . .
N2 C13 C14 C15 178.0(2) . .
K1 C13 C14 C15 68.8(2) . .
C18 C13 C14 C12 177.2(2) . .
N2 C13 C14 C12 -5.0(3) . .
K1 C13 C14 C12 -114.2(2) . .
C18 C13 C14 K1 -68.63(18) . .
N2 C13 C14 K1 109.21(19) . .
C6 C12 C14 C15 -65.2(3) . .
C6 C12 C14 C13 117.8(2) . .
C6 C12 C14 K1 34.3(3) . .
C13 C14 C15 C16 1.1(3) . .
C12 C14 C15 C16 -175.9(2) . .
K1 C14 C15 C16 62.9(2) . .
C14 C15 C16 C17 -0.8(4) . .
C14 C15 C16 C19 178.2(2) . .
C14 C15 C16 K1 -61.5(2) . .
C15 C16 C17 C18 -0.8(4) . .
C19 C16 C17 C18 -179.9(2) . .
K1 C16 C17 C18 65.9(2) . .
C15 C16 C17 K1 -66.7(2) . .
C19 C16 C17 K1 114.2(2) . .
C16 C17 C18 C13 2.1(3) . .
K1 C17 C18 C13 76.10(18) . .
C16 C17 C18 C30 -176.7(2) . .
K1 C17 C18 C30 -102.7(2) . .
C16 C17 C18 K1 -74.0(2) . .
C14 C13 C18 C17 -1.7(3) . .
N2 C13 C18 C17 -179.5(2) . .
K1 C13 C18 C17 -77.62(19) . .
C14 C13 C18 C30 177.1(2) . .
N2 C13 C18 C30 -0.7(3) . .
K1 C13 C18 C30 101.21(19) . .
C14 C13 C18 K1 75.89(19) . .
N2 C13 C18 K1 -101.92(19) . .
C15 C16 C19 C21 122.7(3) . .
C17 C16 C19 C21 -58.2(3) . .
K1 C16 C19 C21 23.6(3) . .
C15 C16 C19 C20 3.0(4) . .
C17 C16 C19 C20 -178.0(2) . .
K1 C16 C19 C20 -96.1(2) . .
C15 C16 C19 C22 -117.2(3) . .
C17 C16 C19 C22 61.8(3) . .
K1 C16 C19 C22 143.66(17) . .
C13 N2 C23 C28 -7.2(3) . .
V1 N2 C23 C28 169.49(18) . .
C13 N2 C23 C24 173.5(2) . .
V1 N2 C23 C24 -9.8(3) . .
C28 C23 C24 C25 -0.2(4) . .
N2 C23 C24 C25 179.1(2) . .
C23 C24 C25 C26 0.2(4) . .
C24 C25 C26 C27 -0.2(4) . .
C24 C25 C26 C29 177.7(3) . .
C25 C26 C27 C28 0.3(4) . .
C29 C26 C27 C28 -177.6(3) . .
C26 C27 C28 C23 -0.4(4) . .
C24 C23 C28 C27 0.3(4) . .
N2 C23 C28 C27 -179.0(2) . .
C17 C18 C30 C36 14.0(3) . .
C13 C18 C30 C36 -164.8(2) . .
K1 C18 C30 C36 -77.3(2) . .
C17 C18 C30 K2 98.0(2) . 2_675
C13 C18 C30 K2 -80.8(2) . 2_675
K1 C18 C30 K2 6.68(17) . 2_675
K1 O2 C31 C32 140.7(2) . .
K2 O2 C31 C32 -103.1(2) 2_675 .
K1 O2 C31 C36 -41.4(4) . .
K2 O2 C31 C36 74.8(2) 2_675 .
K1 O2 C31 K2 -116.2(3) . 2_675
O2 C31 C32 C33 174.3(2) . .
C36 C31 C32 C33 -3.7(3) . .
K2 C31 C32 C33 101.7(2) 2_675 .
O2 C31 C32 C37 -3.9(4) . .
C36 C31 C32 C37 178.1(2) . .
K2 C31 C32 C37 -76.5(2) 2_675 .
C31 C32 C33 C34 1.5(4) . .
C37 C32 C33 C34 179.7(2) . .
C32 C33 C34 C35 1.5(4) . .
C32 C33 C34 C41 179.6(2) . .
C33 C34 C35 C36 -2.1(4) . .
C41 C34 C35 C36 179.8(2) . .
C34 C35 C36 C31 -0.2(4) . .
C34 C35 C36 C30 -177.9(2) . .
C34 C35 C36 K2 -76.4(3) . 2_675
O2 C31 C36 C35 -174.9(2) . .
C32 C31 C36 C35 3.2(3) . .
K2 C31 C36 C35 -115.5(2) 2_675 .
O2 C31 C36 C30 2.8(3) . .
C32 C31 C36 C30 -179.1(2) . .
K2 C31 C36 C30 62.3(2) 2_675 .
O2 C31 C36 K2 -59.44(18) . 2_675
C32 C31 C36 K2 118.6(2) . 2_675
C18 C30 C36 C35 -119.2(2) . .
K2 C30 C36 C35 125.0(2) 2_675 .
C18 C30 C36 C31 63.1(3) . .
K2 C30 C36 C31 -52.72(18) 2_675 .
C18 C30 C36 K2 115.79(18) . 2_675
C33 C32 C37 C39 -112.5(3) . .
C31 C32 C37 C39 65.6(3) . .
C33 C32 C37 C40 7.3(4) . .
C31 C32 C37 C40 -174.6(2) . .
C33 C32 C37 C38 126.2(3) . .
C31 C32 C37 C38 -55.6(3) . .
C31 O2 K1 O3 -100.2(3) . .
K2 O2 K1 O3 147.19(6) 2_675 .
C31 O2 K1 O4 -156.7(3) . .
K2 O2 K1 O4 90.67(6) 2_675 .
C31 O2 K1 N1 100.7(3) . 2_675
K2 O2 K1 N1 -11.95(6) 2_675 2_675
C31 O2 K1 C18 17.6(3) . .
K2 O2 K1 C18 -95.06(7) 2_675 .
C31 O2 K1 O1 74.6(3) . .
K2 O2 K1 O1 -38.05(10) 2_675 .
C31 O2 K1 C13 28.7(3) . .
K2 O2 K1 C13 -83.97(6) 2_675 .
C31 O2 K1 C17 -9.6(3) . .
K2 O2 K1 C17 -122.21(7) 2_675 .
C31 O2 K1 V1 76.1(3) . .
K2 O2 K1 V1 -36.56(6) 2_675 .
C31 O2 K1 C14 14.9(3) . .
K2 O2 K1 C14 -97.74(7) 2_675 .
C31 O2 K1 C44 -133.7(3) . .
K2 O2 K1 C44 113.67(7) 2_675 .
C31 O2 K1 C16 -20.7(3) . .
K2 O2 K1 C16 -133.32(6) 2_675 .
C17 C18 K1 O2 -85.61(14) . .
C13 C18 K1 O2 153.48(14) . .
C30 C18 K1 O2 35.61(13) . .
C17 C18 K1 O3 32.06(16) . .
C13 C18 K1 O3 -88.85(14) . .
C30 C18 K1 O3 153.28(13) . .
C17 C18 K1 O4 -69.3(2) . .
C13 C18 K1 O4 169.81(16) . .
C30 C18 K1 O4 51.9(2) . .
C17 C18 K1 N1 -170.53(14) . 2_675
C13 C18 K1 N1 68.56(13) . 2_675
C30 C18 K1 N1 -49.30(14) . 2_675
C17 C18 K1 O1 129.86(14) . .
C13 C18 K1 O1 8.95(13) . .
C30 C18 K1 O1 -108.91(14) . .
C17 C18 K1 C13 120.9(2) . .
C30 C18 K1 C13 -117.9(2) . .
C13 C18 K1 C17 -120.9(2) . .
C30 C18 K1 C17 121.2(2) . .
C17 C18 K1 V1 157.96(14) . .
C13 C18 K1 V1 37.05(12) . .
C30 C18 K1 V1 -80.81(13) . .
C17 C18 K1 C14 90.68(15) . .
C13 C18 K1 C14 -30.23(12) . .
C30 C18 K1 C14 -148.10(17) . .
C17 C18 K1 C44 -24.2(2) . .
C13 C18 K1 C44 -145.11(15) . .
C30 C18 K1 C44 97.03(18) . .
C17 C18 K1 C16 28.46(12) . .
C13 C18 K1 C16 -92.45(15) . .
C30 C18 K1 C16 149.69(18) . .
C1 O1 K1 O2 -153.06(14) . .
V1 O1 K1 O2 2.65(10) . .
C1 O1 K1 O3 22.63(15) . .
V1 O1 K1 O3 178.34(6) . .
C1 O1 K1 O4 84.19(15) . .
V1 O1 K1 O4 -120.10(6) . .
C1 O1 K1 N1 176.64(16) . 2_675
V1 O1 K1 N1 -27.65(6) . 2_675
C1 O1 K1 C18 -103.02(15) . .
V1 O1 K1 C18 52.69(6) . .
C1 O1 K1 C13 -98.67(15) . .
V1 O1 K1 C13 57.04(6) . .
C1 O1 K1 C17 -83.73(15) . .
V1 O1 K1 C17 71.98(7) . .
C1 O1 K1 V1 -155.71(17) . .
C1 O1 K1 C14 -71.56(15) . .
V1 O1 K1 C14 84.15(7) . .
C1 O1 K1 C44 60.67(16) . .
V1 O1 K1 C44 -143.62(7) . .
C1 O1 K1 C16 -61.16(15) . .
V1 O1 K1 C16 94.55(6) . .
C14 C13 K1 O2 -146.34(14) . .
C18 C13 K1 O2 -24.06(13) . .
N2 C13 K1 O2 93.66(14) . .
C14 C13 K1 O3 -14.15(16) . .
C18 C13 K1 O3 108.14(13) . .
N2 C13 K1 O3 -134.14(14) . .
C14 C13 K1 O4 93.0(6) . .
C18 C13 K1 O4 -144.7(5) . .
N2 C13 K1 O4 -27.0(6) . .
C14 C13 K1 N1 132.34(14) . 2_675
C18 C13 K1 N1 -105.37(13) . 2_675
N2 C13 K1 N1 12.35(13) . 2_675
C14 C13 K1 C18 -122.3(2) . .
N2 C13 K1 C18 117.7(2) . .
C14 C13 K1 O1 67.85(13) . .
C18 C13 K1 O1 -169.87(14) . .
N2 C13 K1 O1 -52.15(13) . .
C14 C13 K1 C17 -90.71(15) . .
C18 C13 K1 C17 31.57(12) . .
N2 C13 K1 C17 149.29(18) . .
C14 C13 K1 V1 105.48(14) . .
C18 C13 K1 V1 -132.23(15) . .
N2 C13 K1 V1 -14.51(11) . .
C18 C13 K1 C14 122.3(2) . .
N2 C13 K1 C14 -120.0(2) . .
C14 C13 K1 C44 -39.9(3) . .
C18 C13 K1 C44 82.4(3) . .
N2 C13 K1 C44 -159.9(2) . .
C14 C13 K1 C16 -59.16(13) . .
C18 C13 K1 C16 63.12(13) . .
N2 C13 K1 C16 -179.16(18) . .
C18 C17 K1 O2 83.24(14) . .
C16 C17 K1 O2 -151.05(16) . .
C18 C17 K1 O3 -153.63(13) . .
C16 C17 K1 O3 -27.92(15) . .
C18 C17 K1 O4 146.80(13) . .
C16 C17 K1 O4 -87.49(17) . .
C18 C17 K1 N1 9.66(14) . 2_675
C16 C17 K1 N1 135.37(14) . 2_675
C16 C17 K1 C18 125.7(2) . .
C18 C17 K1 O1 -51.89(14) . .
C16 C17 K1 O1 73.82(15) . .
C18 C17 K1 C13 -32.54(13) . .
C16 C17 K1 C13 93.17(16) . .
C18 C17 K1 V1 -20.38(13) . .
C16 C17 K1 V1 105.33(14) . .
C18 C17 K1 C14 -65.29(14) . .
C16 C17 K1 C14 60.42(14) . .
C18 C17 K1 C44 164.46(13) . .
C16 C17 K1 C44 -69.83(16) . .
C18 C17 K1 C16 -125.7(2) . .
N1 V1 K1 O2 78.29(12) . .
N1 V1 K1 O2 49.90(8) 2_675 .
O1 V1 K1 O2 -178.12(7) . .
N2 V1 K1 O2 -67.07(7) . .
V1 V1 K1 O2 60.84(5) 2_675 .
K2 V1 K1 O2 163.93(4) . .
N1 V1 K1 O3 -105.77(13) . .
N1 V1 K1 O3 -134.16(9) 2_675 .
O1 V1 K1 O3 -2.18(8) . .
N2 V1 K1 O3 108.87(8) . .
V1 V1 K1 O3 -123.22(6) 2_675 .
K2 V1 K1 O3 -20.13(7) . .
N1 V1 K1 O4 -26.21(13) . .
N1 V1 K1 O4 -54.61(9) 2_675 .
O1 V1 K1 O4 77.37(8) . .
N2 V1 K1 O4 -171.58(8) . .
V1 V1 K1 O4 -43.67(6) 2_675 .
K2 V1 K1 O4 59.42(6) . .
N1 V1 K1 N1 28.40(17) . 2_675
O1 V1 K1 N1 131.98(9) . 2_675
N2 V1 K1 N1 -116.97(9) . 2_675
V1 V1 K1 N1 10.94(7) 2_675 2_675
K2 V1 K1 N1 114.03(7) . 2_675
N1 V1 K1 C18 135.31(12) . .
N1 V1 K1 C18 106.92(8) 2_675 .
O1 V1 K1 C18 -121.10(7) . .
N2 V1 K1 C18 -10.06(7) . .
V1 V1 K1 C18 117.86(5) 2_675 .
K2 V1 K1 C18 -139.06(5) . .
N1 V1 K1 O1 -103.59(13) . .
N1 V1 K1 O1 -131.98(9) 2_675 .
N2 V1 K1 O1 111.05(8) . .
V1 V1 K1 O1 -121.04(6) 2_675 .
K2 V1 K1 O1 -17.95(6) . .
N1 V1 K1 C13 155.42(13) . .
N1 V1 K1 C13 127.03(9) 2_675 .
O1 V1 K1 C13 -100.99(8) . .
N2 V1 K1 C13 10.05(8) . .
V1 V1 K1 C13 137.97(6) 2_675 .
K2 V1 K1 C13 -118.95(6) . .
N1 V1 K1 C17 144.37(12) . .
N1 V1 K1 C17 115.97(8) 2_675 .
O1 V1 K1 C17 -112.05(7) . .
N2 V1 K1 C17 -1.00(7) . .
V1 V1 K1 C17 126.91(5) 2_675 .
K2 V1 K1 C17 -130.00(5) . .
N1 V1 K1 C14 -177.35(12) . .
N1 V1 K1 C14 154.26(8) 2_675 .
O1 V1 K1 C14 -73.76(7) . .
N2 V1 K1 C14 37.29(7) . .
V1 V1 K1 C14 165.20(5) 2_675 .
K2 V1 K1 C14 -91.71(5) . .
N1 V1 K1 C44 -42.65(15) . .
N1 V1 K1 C44 -71.04(12) 2_675 .
O1 V1 K1 C44 60.94(11) . .
N2 V1 K1 C44 171.99(11) . .
V1 V1 K1 C44 -60.10(10) 2_675 .
K2 V1 K1 C44 42.98(10) . .
N1 V1 K1 C16 167.10(12) . .
N1 V1 K1 C16 138.71(8) 2_675 .
O1 V1 K1 C16 -89.31(7) . .
N2 V1 K1 C16 21.74(7) . .
V1 V1 K1 C16 149.65(4) 2_675 .
K2 V1 K1 C16 -107.26(5) . .
C15 C14 K1 O2 -88.94(14) . .
C13 C14 K1 O2 35.84(15) . .
C12 C14 K1 O2 151.08(16) . .
C15 C14 K1 O3 43.05(14) . .
C13 C14 K1 O3 167.83(14) . .
C12 C14 K1 O3 -76.94(17) . .
C15 C14 K1 O4 70.4(2) . .
C13 C14 K1 O4 -164.82(15) . .
C12 C14 K1 O4 -49.6(2) . .
C15 C14 K1 N1 -169.48(14) . 2_675
C13 C14 K1 N1 -44.70(14) . 2_675
C12 C14 K1 N1 70.53(17) . 2_675
C15 C14 K1 C18 -92.52(15) . .
C13 C14 K1 C18 32.26(13) . .
C12 C14 K1 C18 147.5(2) . .
C15 C14 K1 O1 137.30(15) . .
C13 C14 K1 O1 -97.92(14) . .
C12 C14 K1 O1 17.31(15) . .
C15 C14 K1 C13 -124.8(2) . .
C12 C14 K1 C13 115.2(2) . .
C15 C14 K1 C17 -58.57(13) . .
C13 C14 K1 C17 66.21(14) . .
C12 C14 K1 C17 -178.6(2) . .
C15 C14 K1 V1 176.99(15) . .
C13 C14 K1 V1 -58.23(13) . .
C12 C14 K1 V1 57.01(16) . .
C15 C14 K1 C44 36.83(18) . .
C13 C14 K1 C44 161.61(14) . .
C12 C14 K1 C44 -83.2(2) . .
C15 C14 K1 C16 -26.86(12) . .
C13 C14 K1 C16 97.92(15) . .
C12 C14 K1 C16 -146.8(2) . .
C15 C16 K1 O2 150.47(14) . .
C17 C16 K1 O2 26.36(14) . .
C19 C16 K1 O2 -85.86(17) . .
C15 C16 K1 O3 -83.13(14) . .
C17 C16 K1 O3 152.76(15) . .
C19 C16 K1 O3 40.53(17) . .
C15 C16 K1 O4 -116.45(14) . .
C17 C16 K1 O4 119.44(15) . .
C19 C16 K1 O4 7.2(2) . .
C15 C16 K1 N1 72.08(15) . 2_675
C17 C16 K1 N1 -52.03(16) . 2_675
C19 C16 K1 N1 -164.25(16) . 2_675
C15 C16 K1 C18 93.93(16) . .
C17 C16 K1 C18 -30.18(13) . .
C19 C16 K1 C18 -142.4(2) . .
C15 C16 K1 O1 14.22(14) . .
C17 C16 K1 O1 -109.88(14) . .
C19 C16 K1 O1 137.89(17) . .
C15 C16 K1 C13 59.36(14) . .
C17 C16 K1 C13 -64.75(14) . .
C19 C16 K1 C13 -177.0(2) . .
C15 C16 K1 C17 124.1(2) . .
C19 C16 K1 C17 -112.2(2) . .
C15 C16 K1 V1 47.74(14) . .
C17 C16 K1 V1 -76.37(14) . .
C19 C16 K1 V1 171.40(16) . .
C15 C16 K1 C14 27.32(13) . .
C17 C16 K1 C14 -96.79(16) . .
C19 C16 K1 C14 151.0(2) . .
C15 C16 K1 C44 -114.16(14) . .
C17 C16 K1 C44 121.73(15) . .
C19 C16 K1 C44 9.51(19) . .
O2 K1 O3 C43 -70.9(2) . .
O4 K1 O3 C43 1.58(19) . .
N1 K1 O3 C43 68.9(2) 2_675 .
C18 K1 O3 C43 -154.96(18) . .
O1 K1 O3 C43 112.7(2) . .
C13 K1 O3 C43 174.77(18) . .
C17 K1 O3 C43 -141.70(19) . .
V1 K1 O3 C43 113.94(19) . .
C14 K1 O3 C43 169.01(19) . .
C44 K1 O3 C43 -16.84(19) . .
C16 K1 O3 C43 -152.5(2) . .
O2 K1 O3 C42 141.27(19) . .
O4 K1 O3 C42 -146.2(2) . .
N1 K1 O3 C42 -78.9(2) 2_675 .
C18 K1 O3 C42 57.2(2) . .
O1 K1 O3 C42 -35.1(2) . .
C13 K1 O3 C42 27.0(2) . .
C17 K1 O3 C42 70.5(2) . .
V1 K1 O3 C42 -33.9(2) . .
C14 K1 O3 C42 21.2(2) . .
C44 K1 O3 C42 -164.6(2) . .
C16 K1 O3 C42 59.7(2) . .
C42 O3 C43 C44 179.3(2) . .
K1 O3 C43 C44 29.0(3) . .
O3 C43 C44 O4 -64.8(3) . .
O3 C43 C44 K1 -19.7(2) . .
O2 K1 C44 O4 -86.36(17) . .
O3 K1 C44 O4 135.1(2) . .
N1 K1 C44 O4 -2.6(2) 2_675 .
C18 K1 C44 O4 -140.07(15) . .
O1 K1 C44 O4 70.94(18) . .
C13 K1 C44 O4 168.27(18) . .
C17 K1 C44 O4 -151.97(15) . .
V1 K1 C44 O4 36.5(2) . .
C14 K1 C44 O4 144.19(15) . .
C16 K1 C44 O4 -175.92(15) . .
O2 K1 C44 C43 152.62(17) . .
O3 K1 C44 C43 14.07(15) . .
O4 K1 C44 C43 -121.0(3) . .
N1 K1 C44 C43 -123.60(17) 2_675 .
C18 K1 C44 C43 98.9(2) . .
O1 K1 C44 C43 -50.08(19) . .
C13 K1 C44 C43 47.2(3) . .
C17 K1 C44 C43 87.01(18) . .
V1 K1 C44 C43 -84.57(19) . .
C14 K1 C44 C43 23.2(2) . .
C16 K1 C44 C43 63.06(18) . .
C43 C44 O4 C45 -174.0(2) . .
K1 C44 O4 C45 121.6(2) . .
C43 C44 O4 K1 64.4(2) . .
O2 K1 O4 C44 95.70(17) . .
O3 K1 O4 C44 -33.29(16) . .
N1 K1 O4 C44 177.86(16) 2_675 .
C18 K1 O4 C44 80.8(2) . .
O1 K1 O4 C44 -119.94(16) . .
C13 K1 O4 C44 -143.9(5) . .
C17 K1 O4 C44 40.3(2) . .
V1 K1 O4 C44 -155.36(15) . .
C14 K1 O4 C44 -64.7(2) . .
C16 K1 O4 C44 5.4(2) . .
O2 K1 O4 C45 -26.22(18) . .
O3 K1 O4 C45 -155.21(19) . .
N1 K1 O4 C45 55.94(18) 2_675 .
C18 K1 O4 C45 -41.1(3) . .
O1 K1 O4 C45 118.14(18) . .
C13 K1 O4 C45 94.2(6) . .
C17 K1 O4 C45 -81.6(2) . .
V1 K1 O4 C45 82.73(18) . .
C14 K1 O4 C45 173.34(18) . .
C44 K1 O4 C45 -121.9(3) . .
C16 K1 O4 C45 -116.51(18) . .
V1 N1 K2 O2 179.48(8) . 2_675
V1 N1 K2 O2 -75.69(16) 2_675 2_675
N1 N1 K2 O2 -144.13(16) 2_675 2_675
K1 N1 K2 O2 10.49(5) 2_675 2_675
V1 N1 K2 O6 48.62(9) . .
V1 N1 K2 O6 153.45(15) 2_675 .
N1 N1 K2 O6 85.01(17) 2_675 .
K1 N1 K2 O6 -120.37(6) 2_675 .
V1 N1 K2 O5 -0.5(2) . .
V1 N1 K2 O5 104.3(2) 2_675 .
N1 N1 K2 O5 35.9(3) 2_675 .
K1 N1 K2 O5 -169.52(18) 2_675 .
V1 N1 K2 C31 -162.50(8) . 2_675
V1 N1 K2 C31 -57.67(17) 2_675 2_675
N1 N1 K2 C31 -126.10(16) 2_675 2_675
K1 N1 K2 C31 28.51(7) 2_675 2_675
V1 N1 K2 C36 -137.11(8) . 2_675
V1 N1 K2 C36 -32.28(17) 2_675 2_675
N1 N1 K2 C36 -100.71(16) 2_675 2_675
K1 N1 K2 C36 53.90(6) 2_675 2_675
V1 N1 K2 C30 -126.12(9) . 2_675
V1 N1 K2 C30 -21.29(15) 2_675 2_675
N1 N1 K2 C30 -89.72(16) 2_675 2_675
K1 N1 K2 C30 64.89(5) 2_675 2_675
V1 N1 K2 C47 14.44(15) . .
V1 N1 K2 C47 119.27(17) 2_675 .
N1 N1 K2 C47 50.8(2) 2_675 .
K1 N1 K2 C47 -154.55(11) 2_675 .
V1 N1 K2 V1 104.83(19) 2_675 .
N1 N1 K2 V1 36.40(11) 2_675 .
K1 N1 K2 V1 -168.99(11) 2_675 .
V1 N1 K2 K1 168.99(11) . 2_675
V1 N1 K2 K1 -86.18(16) 2_675 2_675
N1 N1 K2 K1 -154.61(19) 2_675 2_675
N1 V1 K2 O2 -0.56(9) . 2_675
N1 V1 K2 O2 -49.19(9) 2_675 2_675
O1 V1 K2 O2 -151.16(7) . 2_675
N2 V1 K2 O2 104.53(7) . 2_675
V1 V1 K2 O2 -25.60(5) 2_675 2_675
K1 V1 K2 O2 -133.89(5) . 2_675
N1 V1 K2 O6 -133.92(9) . .
N1 V1 K2 O6 177.45(9) 2_675 .
O1 V1 K2 O6 75.48(7) . .
N2 V1 K2 O6 -28.83(8) . .
V1 V1 K2 O6 -158.96(5) 2_675 .
K1 V1 K2 O6 92.75(5) . .
N1 V1 K2 O5 179.77(11) . .
N1 V1 K2 O5 131.13(10) 2_675 .
O1 V1 K2 O5 29.16(9) . .
N2 V1 K2 O5 -75.14(9) . .
V1 V1 K2 O5 154.72(7) 2_675 .
K1 V1 K2 O5 46.44(7) . .
N1 V1 K2 N1 -48.63(14) 2_675 .
O1 V1 K2 N1 -150.60(10) . .
N2 V1 K2 N1 105.09(10) . .
V1 V1 K2 N1 -25.04(8) 2_675 .
K1 V1 K2 N1 -133.33(9) . .
N1 V1 K2 C31 22.50(10) . 2_675
N1 V1 K2 C31 -26.13(10) 2_675 2_675
O1 V1 K2 C31 -128.10(9) . 2_675
N2 V1 K2 C31 127.59(9) . 2_675
V1 V1 K2 C31 -2.54(7) 2_675 2_675
K1 V1 K2 C31 -110.83(7) . 2_675
N1 V1 K2 C36 49.45(9) . 2_675
N1 V1 K2 C36 0.81(9) 2_675 2_675
O1 V1 K2 C36 -101.16(7) . 2_675
N2 V1 K2 C36 154.54(8) . 2_675
V1 V1 K2 C36 24.40(5) 2_675 2_675
K1 V1 K2 C36 -83.88(5) . 2_675
N1 V1 K2 C30 50.63(9) . 2_675
N1 V1 K2 C30 2.00(9) 2_675 2_675
O1 V1 K2 C30 -99.97(7) . 2_675
N2 V1 K2 C30 155.72(7) . 2_675
V1 V1 K2 C30 25.59(4) 2_675 2_675
K1 V1 K2 C30 -82.70(5) . 2_675
N1 V1 K2 C47 -169.99(11) . .
N1 V1 K2 C47 141.38(11) 2_675 .
O1 V1 K2 C47 39.41(9) . .
N2 V1 K2 C47 -64.90(9) . .
V1 V1 K2 C47 164.97(7) 2_675 .
K1 V1 K2 C47 56.68(8) . .
N1 V1 K2 K1 -8.21(8) . 2_675
N1 V1 K2 K1 -56.85(8) 2_675 2_675
O1 V1 K2 K1 -158.82(6) . 2_675
N2 V1 K2 K1 96.88(6) . 2_675
V1 V1 K2 K1 -33.256(19) 2_675 2_675
K1 V1 K2 K1 -141.54(2) . 2_675
O2 K2 O5 C46 76.9(2) 2_675 .
O6 K2 O5 C46 -158.5(2) . .
N1 K2 O5 C46 -103.0(3) . .
C31 K2 O5 C46 59.2(2) 2_675 .
C36 K2 O5 C46 33.4(2) 2_675 .
C30 K2 O5 C46 15.9(2) 2_675 .
C47 K2 O5 C46 -128.9(3) . .
V1 K2 O5 C46 -103.4(2) . .
K1 K2 O5 C46 93.4(2) 2_675 .
O2 K2 O5 C47 -154.19(19) 2_675 .
O6 K2 O5 C47 -29.6(2) . .
N1 K2 O5 C47 25.8(3) . .
C31 K2 O5 C47 -171.9(2) 2_675 .
C36 K2 O5 C47 162.3(2) 2_675 .
C30 K2 O5 C47 144.8(2) 2_675 .
V1 K2 O5 C47 25.5(2) . .
K1 K2 O5 C47 -137.77(18) 2_675 .
C46 O5 C47 C48 -170.0(3) . .
K2 O5 C47 C48 59.1(3) . .
C46 O5 C47 K2 131.0(3) . .
O2 K2 C47 O5 34.4(3) 2_675 .
O6 K2 C47 O5 140.1(2) . .
N1 K2 C47 O5 -167.40(16) . .
C31 K2 C47 O5 9.2(2) 2_675 .
C36 K2 C47 O5 -20.2(2) 2_675 .
C30 K2 C47 O5 -46.1(2) 2_675 .
V1 K2 C47 O5 -159.89(18) . .
K1 K2 C47 O5 94.5(3) 2_675 .
O2 K2 C47 C48 -90.6(2) 2_675 .
O6 K2 C47 C48 15.14(18) . .
O5 K2 C47 C48 -125.0(3) . .
N1 K2 C47 C48 67.6(2) . .
C31 K2 C47 C48 -115.8(2) 2_675 .
C36 K2 C47 C48 -145.14(19) 2_675 .
C30 K2 C47 C48 -171.10(18) 2_675 .
V1 K2 C47 C48 75.1(2) . .
K1 K2 C47 C48 -30.4(3) 2_675 .
O5 C47 C48 O6 -61.6(4) . .
K2 C47 C48 O6 -20.7(2) . .
C47 C48 O6 C49 -179.0(3) . .
C47 C48 O6 K2 31.6(4) . .
O2 K2 O6 C48 100.0(2) 2_675 .
O5 K2 O6 C48 -1.7(2) . .
N1 K2 O6 C48 -165.3(2) . .
C31 K2 O6 C48 63.7(3) 2_675 .
C36 K2 O6 C48 28.9(3) 2_675 .
C30 K2 O6 C48 -79.4(8) 2_675 .
C47 K2 O6 C48 -18.1(2) . .
V1 K2 O6 C48 -143.6(2) . .
K1 K2 O6 C48 146.4(2) 2_675 .
O2 K2 O6 C49 -46.7(2) 2_675 .
O5 K2 O6 C49 -148.4(2) . .
N1 K2 O6 C49 48.0(2) . .
C31 K2 O6 C49 -83.0(2) 2_675 .
C36 K2 O6 C49 -117.8(2) 2_675 .
C30 K2 O6 C49 133.9(7) 2_675 .
C47 K2 O6 C49 -164.8(2) . .
V1 K2 O6 C49 69.7(2) . .
K1 K2 O6 C49 -0.3(2) 2_675 .
N3 V2 N3 V2 0.0 2_566 2_566
O7 V2 N3 V2 -113.94(9) . 2_566
N4 V2 N3 V2 118.98(8) . 2_566
K4 V2 N3 V2 -41.51(10) . 2_566
K3 V2 N3 V2 -170.50(10) . 2_566
O7 V2 N3 N3 -113.94(9) . 2_566
N4 V2 N3 N3 118.98(8) . 2_566
V2 V2 N3 N3 0.0 2_566 2_566
K4 V2 N3 N3 -41.51(10) . 2_566
K3 V2 N3 N3 -170.50(10) . 2_566
N3 V2 N3 K4 -97.31(16) 2_566 2_566
O7 V2 N3 K4 148.75(13) . 2_566
N4 V2 N3 K4 21.67(17) . 2_566
V2 V2 N3 K4 -97.31(16) 2_566 2_566
K4 V2 N3 K4 -138.82(10) . 2_566
K3 V2 N3 K4 92.19(14) . 2_566
N3 V2 N3 K3 170.50(10) 2_566 .
O7 V2 N3 K3 56.55(9) . .
N4 V2 N3 K3 -70.52(8) . .
V2 V2 N3 K3 170.50(10) 2_566 .
K4 V2 N3 K3 128.99(5) . .
N3 V2 O7 C50 158.6(4) 2_566 .
N3 V2 O7 C50 -101.7(4) . .
N4 V2 O7 C50 27.5(5) . .
V2 V2 O7 C50 -151.8(4) 2_566 .
K4 V2 O7 C50 135.9(4) . .
K3 V2 O7 C50 -56.7(4) . .
N3 V2 O7 K4 22.66(9) 2_566 .
N3 V2 O7 K4 122.38(8) . .
N4 V2 O7 K4 -108.47(7) . .
V2 V2 O7 K4 72.29(7) 2_566 .
K3 V2 O7 K4 167.35(4) . .
V2 O7 C50 C55 -30.6(6) . .
K4 O7 C50 C55 101.1(2) . .
V2 O7 C50 C51 151.1(3) . .
K4 O7 C50 C51 -77.2(2) . .
O7 C50 C51 C52 178.5(2) . .
C55 C50 C51 C52 0.3(3) . .
O7 C50 C51 C56 -7.3(4) . .
C55 C50 C51 C56 174.4(2) . .
C50 C51 C52 C53 0.9(4) . .
C56 C51 C52 C53 -173.4(2) . .
C51 C52 C53 C54 -0.7(4) . .
C51 C52 C53 C60 177.2(2) . .
C52 C53 C54 C55 -0.7(4) . .
C60 C53 C54 C55 -178.6(2) . .
C53 C54 C55 C50 1.9(4) . .
C53 C54 C55 C61 -178.8(2) . .
O7 C50 C55 C54 -179.9(2) . .
C51 C50 C55 C54 -1.6(4) . .
O7 C50 C55 C61 0.7(3) . .
C51 C50 C55 C61 179.1(2) . .
C52 C51 C56 C57 -135.2(3) . .
C50 C51 C56 C57 50.8(3) . .
C52 C51 C56 C58 -14.0(3) . .
C50 C51 C56 C58 172.0(2) . .
C52 C51 C56 C59 104.9(3) . .
C50 C51 C56 C59 -69.1(3) . .
C54 C55 C61 C63 -101.5(3) . .
C50 C55 C61 C63 77.9(3) . .
N3 V2 N4 C72 -16.5(2) 2_566 .
N3 V2 N4 C72 -118.2(2) . .
O7 V2 N4 C72 112.1(2) . .
V2 V2 N4 C72 -68.7(2) 2_566 .
K4 V2 N4 C72 45.2(2) . .
K3 V2 N4 C72 -169.9(2) . .
N3 V2 N4 C62 171.92(14) 2_566 .
N3 V2 N4 C62 70.26(16) . .
O7 V2 N4 C62 -59.52(16) . .
V2 V2 N4 C62 119.70(13) 2_566 .
K4 V2 N4 C62 -126.41(13) . .
K3 V2 N4 C62 18.51(14) . .
C72 N4 C62 C63 -95.4(2) . .
V2 N4 C62 C63 77.9(2) . .
C72 N4 C62 C67 83.3(3) . .
V2 N4 C62 C67 -103.4(2) . .
C72 N4 C62 K3 165.18(14) . .
V2 N4 C62 K3 -21.47(16) . .
C67 C62 C63 C64 1.0(3) . .
N4 C62 C63 C64 179.66(19) . .
K3 C62 C63 C64 -68.6(2) . .
C67 C62 C63 C61 -176.8(2) . .
N4 C62 C63 C61 1.9(3) . .
K3 C62 C63 C61 113.64(19) . .
C67 C62 C63 K3 69.53(18) . .
N4 C62 C63 K3 -111.77(19) . .
C55 C61 C63 C62 -115.6(2) . .
C55 C61 C63 C64 66.6(3) . .
C55 C61 C63 K3 -33.7(2) . .
C62 C63 C64 C65 -2.2(3) . .
C61 C63 C64 C65 175.6(2) . .
K3 C63 C64 C65 -62.7(2) . .
C63 C64 C65 C66 1.9(3) . .
C63 C64 C65 C68 -178.1(2) . .
C63 C64 C65 K3 61.0(2) . .
C64 C65 C66 C67 -0.5(3) . .
C68 C65 C66 C67 179.6(2) . .
K3 C65 C66 C67 -66.1(2) . .
C64 C65 C66 K3 65.7(2) . .
C68 C65 C66 K3 -114.27(19) . .
C65 C66 C67 C62 -0.7(3) . .
K3 C66 C67 C62 -76.15(18) . .
C65 C66 C67 C79 178.6(2) . .
K3 C66 C67 C79 103.2(2) . .
C65 C66 C67 K3 75.5(2) . .
C63 C62 C67 C66 0.4(3) . .
N4 C62 C67 C66 -178.3(2) . .
K3 C62 C67 C66 78.11(19) . .
C63 C62 C67 C79 -178.9(2) . .
N4 C62 C67 C79 2.4(3) . .
K3 C62 C67 C79 -101.26(19) . .
C63 C62 C67 K3 -77.67(19) . .
N4 C62 C67 K3 103.63(18) . .
C64 C65 C68 C69 -0.3(3) . .
C66 C65 C68 C69 179.7(2) . .
K3 C65 C68 C69 99.0(2) . .
C64 C65 C68 C70 119.8(3) . .
C66 C65 C68 C70 -60.3(3) . .
K3 C65 C68 C70 -140.92(17) . .
C64 C65 C68 C71 -120.9(3) . .
C66 C65 C68 C71 59.1(3) . .
K3 C65 C68 C71 -21.6(3) . .
C62 N4 C72 C73 -174.4(2) . .
V2 N4 C72 C73 14.4(3) . .
C62 N4 C72 C77 6.4(3) . .
V2 N4 C72 C77 -164.76(18) . .
C77 C72 C73 C74 0.4(3) . .
N4 C72 C73 C74 -178.9(2) . .
C72 C73 C74 C75 0.4(4) . .
C73 C74 C75 C76 -0.6(4) . .
C73 C74 C75 C78 -179.3(2) . .
C74 C75 C76 C77 0.1(4) . .
C78 C75 C76 C77 178.8(2) . .
C75 C76 C77 C72 0.6(4) . .
C73 C72 C77 C76 -0.8(3) . .
N4 C72 C77 C76 178.4(2) . .
C66 C67 C79 C85 -15.1(3) . .
C62 C67 C79 C85 164.3(2) . .
K3 C67 C79 C85 77.0(2) . .
C66 C67 C79 K4 -99.2(2) . 2_566
C62 C67 C79 K4 80.1(2) . 2_566
K3 C67 C79 K4 -7.19(16) . 2_566
K3 O8 C80 C85 40.8(4) . .
K4 O8 C80 C85 -77.5(2) 2_566 .
K3 O8 C80 C81 -140.4(2) . .
K4 O8 C80 C81 101.3(2) 2_566 .
K3 O8 C80 K4 118.3(3) . 2_566
O8 C80 C81 C82 -175.1(2) . .
C85 C80 C81 C82 3.8(3) . .
K4 C80 C81 C82 -103.7(2) 2_566 .
O8 C80 C81 C86 4.2(3) . .
C85 C80 C81 C86 -177.0(2) . .
K4 C80 C81 C86 75.6(2) 2_566 .
C80 C81 C82 C83 -1.9(4) . .
C86 C81 C82 C83 178.8(2) . .
C81 C82 C83 C84 -1.1(4) . .
C81 C82 C83 C90 -179.6(2) . .
C82 C83 C84 C85 2.2(4) . .
C90 C83 C84 C85 -179.3(2) . .
C83 C84 C85 C80 -0.3(4) . .
C83 C84 C85 C79 177.1(2) . .
C83 C84 C85 K4 74.2(3) . 2_566
O8 C80 C85 C84 176.1(2) . .
C81 C80 C85 C84 -2.7(3) . .
K4 C80 C85 C84 115.8(2) 2_566 .
O8 C80 C85 C79 -1.3(3) . .
C81 C80 C85 C79 179.9(2) . .
K4 C80 C85 C79 -61.6(2) 2_566 .
O8 C80 C85 K4 60.35(18) . 2_566
C81 C80 C85 K4 -118.5(2) . 2_566
C67 C79 C85 C84 118.8(2) . .
K4 C79 C85 C84 -126.1(2) 2_566 .
C67 C79 C85 C80 -63.8(3) . .
K4 C79 C85 C80 51.31(18) 2_566 .
C67 C79 C85 K4 -115.14(19) . 2_566
C82 C81 C86 C88 115.7(3) . .
C80 C81 C86 C88 -63.6(3) . .
C82 C81 C86 C89 -4.0(3) . .
C80 C81 C86 C89 176.8(2) . .
C82 C81 C86 C87 -123.3(2) . .
C80 C81 C86 C87 57.4(3) . .
C80 O8 K3 O9 99.1(3) . .
K4 O8 K3 O9 -145.92(6) 2_566 .
C80 O8 K3 O10 156.1(3) . .
K4 O8 K3 O10 -88.98(7) 2_566 .
C80 O8 K3 N3 -101.6(3) . .
K4 O8 K3 N3 13.35(6) 2_566 .
C80 O8 K3 C67 -18.1(3) . .
K4 O8 K3 C67 96.91(7) 2_566 .
C80 O8 K3 C62 -29.6(3) . .
K4 O8 K3 C62 85.38(6) 2_566 .
C80 O8 K3 C66 9.1(3) . .
K4 O8 K3 C66 124.08(7) 2_566 .
C80 O8 K3 C63 -15.9(3) . .
K4 O8 K3 C63 99.04(6) 2_566 .
C80 O8 K3 V2 -76.9(3) . .
K4 O8 K3 V2 38.02(6) 2_566 .
C80 O8 K3 C65 19.7(3) . .
K4 O8 K3 C65 134.66(6) 2_566 .
C80 O8 K3 K4 -115.0(3) . 2_566
V2 N3 K3 O8 -123.8(6) 2_566 .
V2 N3 K3 O8 128.65(8) . .
N3 N3 K3 O8 138.39(17) 2_566 .
K4 N3 K3 O8 -12.04(5) 2_566 .
V2 N3 K3 O9 26.4(7) 2_566 .
V2 N3 K3 O9 -81.12(12) . .
N3 N3 K3 O9 -71.4(2) 2_566 .
K4 N3 K3 O9 138.20(9) 2_566 .
V2 N3 K3 O10 -30.0(6) 2_566 .
V2 N3 K3 O10 -137.53(7) . .
N3 N3 K3 O10 -127.79(16) 2_566 .
K4 N3 K3 O10 81.79(6) 2_566 .
V2 N3 K3 C67 169.3(6) 2_566 .
V2 N3 K3 C67 61.75(7) . .
N3 N3 K3 C67 71.49(17) 2_566 .
K4 N3 K3 C67 -78.93(6) 2_566 .
V2 N3 K3 C62 144.4(6) 2_566 .
V2 N3 K3 C62 36.92(7) . .
N3 N3 K3 C62 46.67(16) 2_566 .
K4 N3 K3 C62 -103.76(6) 2_566 .
V2 N3 K3 C66 172.7(6) 2_566 .
V2 N3 K3 C66 65.17(8) . .
N3 N3 K3 C66 74.91(17) 2_566 .
K4 N3 K3 C66 -75.51(6) 2_566 .
V2 N3 K3 C63 126.6(6) 2_566 .
V2 N3 K3 C63 19.11(7) . .
N3 N3 K3 C63 28.86(17) 2_566 .
K4 N3 K3 C63 -121.57(6) 2_566 .
V2 N3 K3 V2 107.5(6) 2_566 .
N3 N3 K3 V2 9.75(10) 2_566 .
K4 N3 K3 V2 -140.68(9) 2_566 .
V2 N3 K3 C65 153.1(6) 2_566 .
V2 N3 K3 C65 45.56(9) . .
N3 N3 K3 C65 55.31(18) 2_566 .
K4 N3 K3 C65 -95.12(7) 2_566 .
V2 N3 K3 K4 -111.8(6) 2_566 2_566
V2 N3 K3 K4 140.68(9) . 2_566
N3 N3 K3 K4 150.4(2) 2_566 2_566
C66 C67 K3 O8 86.43(14) . .
C62 C67 K3 O8 -152.61(14) . .
C79 C67 K3 O8 -34.90(13) . .
C66 C67 K3 O9 -32.81(16) . .
C62 C67 K3 O9 88.16(14) . .
C79 C67 K3 O9 -154.14(13) . .
C66 C67 K3 O10 68.5(2) . .
C62 C67 K3 O10 -170.56(18) . .
C79 C67 K3 O10 -52.8(3) . .
C66 C67 K3 N3 172.17(14) . .
C62 C67 K3 N3 -66.87(13) . .
C79 C67 K3 N3 50.84(14) . .
C66 C67 K3 C62 -121.0(2) . .
C79 C67 K3 C62 117.7(2) . .
C62 C67 K3 C66 121.0(2) . .
C79 C67 K3 C66 -121.3(2) . .
C66 C67 K3 C63 -90.62(15) . .
C62 C67 K3 C63 30.34(12) . .
C79 C67 K3 C63 148.05(17) . .
C66 C67 K3 V2 -158.07(14) . .
C62 C67 K3 V2 -37.11(12) . .
C79 C67 K3 V2 80.60(13) . .
C66 C67 K3 C65 -28.62(12) . .
C62 C67 K3 C65 92.34(15) . .
C79 C67 K3 C65 -149.95(18) . .
C66 C67 K3 K4 126.90(14) . 2_566
C62 C67 K3 K4 -112.14(13) . 2_566
C79 C67 K3 K4 5.57(13) . 2_566
C63 C62 K3 O8 146.60(13) . .
C67 C62 K3 O8 24.89(13) . .
N4 C62 K3 O8 -92.10(14) . .
C63 C62 K3 O9 13.15(15) . .
C67 C62 K3 O9 -108.56(13) . .
N4 C62 K3 O9 134.45(14) . .
C63 C62 K3 O10 -83.5(5) . .
C67 C62 K3 O10 154.8(5) . .
N4 C62 K3 O10 37.8(6) . .
C63 C62 K3 N3 -131.01(14) . .
C67 C62 K3 N3 107.28(14) . .
N4 C62 K3 N3 -9.71(14) . .
C63 C62 K3 C67 121.7(2) . .
N4 C62 K3 C67 -117.0(2) . .
C63 C62 K3 C66 90.20(15) . .
C67 C62 K3 C66 -31.51(12) . .
N4 C62 K3 C66 -148.50(18) . .
C67 C62 K3 C63 -121.7(2) . .
N4 C62 K3 C63 121.3(2) . .
C63 C62 K3 V2 -106.35(14) . .
C67 C62 K3 V2 131.94(15) . .
N4 C62 K3 V2 14.96(11) . .
C63 C62 K3 C65 58.80(13) . .
C67 C62 K3 C65 -62.90(13) . .
N4 C62 K3 C65 -179.89(18) . .
C63 C62 K3 K4 -174.11(13) . 2_566
C67 C62 K3 K4 64.18(13) . 2_566
N4 C62 K3 K4 -52.81(14) . 2_566
C67 C66 K3 O8 -82.59(14) . .
C65 C66 K3 O8 152.35(15) . .
C67 C66 K3 O9 152.92(13) . .
C65 C66 K3 O9 27.85(15) . .
C67 C66 K3 O10 -148.73(13) . .
C65 C66 K3 O10 86.20(17) . .
C67 C66 K3 N3 -8.04(15) . .
C65 C66 K3 N3 -133.11(14) . .
C65 C66 K3 C67 -125.1(2) . .
C67 C66 K3 C62 32.62(13) . .
C65 C66 K3 C62 -92.44(16) . .
C67 C66 K3 C63 65.25(14) . .
C65 C66 K3 C63 -59.81(14) . .
C67 C66 K3 V2 20.25(13) . .
C65 C66 K3 V2 -104.81(14) . .
C67 C66 K3 C65 125.1(2) . .
C67 C66 K3 K4 -50.89(13) . 2_566
C65 C66 K3 K4 -175.96(14) . 2_566
C62 C63 K3 O8 -35.64(14) . .
C64 C63 K3 O8 89.46(14) . .
C61 C63 K3 O8 -150.42(16) . .
C62 C63 K3 O9 -168.61(13) . .
C64 C63 K3 O9 -43.51(14) . .
C61 C63 K3 O9 76.61(17) . .
C62 C63 K3 O10 163.01(15) . .
C64 C63 K3 O10 -71.9(2) . .
C61 C63 K3 O10 48.2(2) . .
C62 C63 K3 N3 45.92(13) . .
C64 C63 K3 N3 171.02(13) . .
C61 C63 K3 N3 -68.86(17) . .
C62 C63 K3 C67 -32.79(13) . .
C64 C63 K3 C67 92.31(15) . .
C61 C63 K3 C67 -147.6(2) . .
C64 C63 K3 C62 125.1(2) . .
C61 C63 K3 C62 -114.8(2) . .
C62 C63 K3 C66 -66.88(13) . .
C64 C63 K3 C66 58.22(13) . .
C61 C63 K3 C66 178.34(19) . .
C62 C63 K3 V2 57.44(12) . .
C64 C63 K3 V2 -177.46(14) . .
C61 C63 K3 V2 -57.34(15) . .
C62 C63 K3 C65 -98.30(15) . .
C64 C63 K3 C65 26.80(12) . .
C61 C63 K3 C65 146.9(2) . .
C62 C63 K3 K4 6.27(14) . 2_566
C64 C63 K3 K4 131.37(12) . 2_566
C61 C63 K3 K4 -108.51(16) . 2_566
N3 V2 K3 O8 -68.90(12) 2_566 .
N3 V2 K3 O8 -52.43(8) . .
O7 V2 K3 O8 178.00(7) . .
N4 V2 K3 O8 67.77(7) . .
V2 V2 K3 O8 -59.14(5) 2_566 .
K4 V2 K3 O8 -164.91(4) . .
N3 V2 K3 O9 115.27(12) 2_566 .
N3 V2 K3 O9 131.74(9) . .
O7 V2 K3 O9 2.17(8) . .
N4 V2 K3 O9 -108.06(8) . .
V2 V2 K3 O9 125.03(6) 2_566 .
K4 V2 K3 O9 19.26(7) . .
N3 V2 K3 O10 36.48(13) 2_566 .
N3 V2 K3 O10 52.95(9) . .
O7 V2 K3 O10 -76.62(8) . .
N4 V2 K3 O10 173.15(8) . .
V2 V2 K3 O10 46.24(6) 2_566 .
K4 V2 K3 O10 -59.53(6) . .
N3 V2 K3 N3 -16.46(18) 2_566 .
O7 V2 K3 N3 -129.56(9) . .
N4 V2 K3 N3 120.20(9) . .
V2 V2 K3 N3 -6.71(7) 2_566 .
K4 V2 K3 N3 -112.48(8) . .
N3 V2 K3 C67 -126.56(12) 2_566 .
N3 V2 K3 C67 -110.09(9) . .
O7 V2 K3 C67 120.34(7) . .
N4 V2 K3 C67 10.11(7) . .
V2 V2 K3 C67 -116.81(5) 2_566 .
K4 V2 K3 C67 137.43(5) . .
N3 V2 K3 C62 -146.96(12) 2_566 .
N3 V2 K3 C62 -130.50(9) . .
O7 V2 K3 C62 99.94(8) . .
N4 V2 K3 C62 -10.30(8) . .
V2 V2 K3 C62 -137.21(6) 2_566 .
K4 V2 K3 C62 117.02(6) . .
N3 V2 K3 C66 -135.61(12) 2_566 .
N3 V2 K3 C66 -119.15(8) . .
O7 V2 K3 C66 111.29(7) . .
N4 V2 K3 C66 1.06(7) . .
V2 V2 K3 C66 -125.86(5) 2_566 .
K4 V2 K3 C66 128.37(5) . .
N3 V2 K3 C63 -173.98(12) 2_566 .
N3 V2 K3 C63 -157.52(8) . .
O7 V2 K3 C63 72.92(7) . .
N4 V2 K3 C63 -37.32(7) . .
V2 V2 K3 C63 -164.23(5) 2_566 .
K4 V2 K3 C63 90.00(5) . .
N3 V2 K3 C65 -158.25(12) 2_566 .
N3 V2 K3 C65 -141.78(8) . .
O7 V2 K3 C65 88.65(7) . .
N4 V2 K3 C65 -21.58(7) . .
V2 V2 K3 C65 -148.49(4) 2_566 .
K4 V2 K3 C65 105.74(5) . .
N3 V2 K3 K4 -44.51(11) 2_566 2_566
N3 V2 K3 K4 -28.05(7) . 2_566
O7 V2 K3 K4 -157.61(6) . 2_566
N4 V2 K3 K4 92.15(6) . 2_566
V2 V2 K3 K4 -34.76(2) 2_566 2_566
K4 V2 K3 K4 -140.53(2) . 2_566
C64 C65 K3 O8 -150.27(14) . .
C66 C65 K3 O8 -25.31(14) . .
C68 C65 K3 O8 86.47(17) . .
C64 C65 K3 O9 82.29(14) . .
C66 C65 K3 O9 -152.75(15) . .
C68 C65 K3 O9 -40.97(17) . .
C64 C65 K3 O10 114.18(14) . .
C66 C65 K3 O10 -120.86(14) . .
C68 C65 K3 O10 -9.1(2) . .
C64 C65 K3 N3 -70.20(15) . .
C66 C65 K3 N3 54.76(16) . .
C68 C65 K3 N3 166.54(16) . .
C64 C65 K3 C67 -94.26(15) . .
C66 C65 K3 C67 30.70(13) . .
C68 C65 K3 C67 142.5(2) . .
C64 C65 K3 C62 -59.33(13) . .
C66 C65 K3 C62 65.63(14) . .
C68 C65 K3 C62 177.4(2) . .
C64 C65 K3 C66 -125.0(2) . .
C68 C65 K3 C66 111.8(2) . .
C64 C65 K3 C63 -27.39(12) . .
C66 C65 K3 C63 97.57(16) . .
C68 C65 K3 C63 -150.6(2) . .
C64 C65 K3 V2 -48.14(13) . .
C66 C65 K3 V2 76.82(14) . .
C68 C65 K3 V2 -171.40(16) . .
C64 C65 K3 K4 -120.51(13) . 2_566
C66 C65 K3 K4 4.45(15) . 2_566
C68 C65 K3 K4 116.23(16) . 2_566
O8 K3 O9 C91 -142.49(17) . .
O10 K3 O9 C91 144.2(2) . .
N3 K3 O9 C91 75.4(2) . .
C67 K3 O9 C91 -57.7(2) . .
C62 K3 O9 C91 -27.4(2) . .
C66 K3 O9 C91 -71.27(18) . .
C63 K3 O9 C91 -22.10(18) . .
V2 K3 O9 C91 32.4(2) . .
C65 K3 O9 C91 -60.55(18) . .
K4 K3 O9 C91 168.19(15) 2_566 .
O8 K3 O9 C92 80.7(2) . .
O10 K3 O9 C92 7.37(18) . .
N3 K3 O9 C92 -61.4(2) . .
C67 K3 O9 C92 165.47(18) . .
C62 K3 O9 C92 -164.26(18) . .
C66 K3 O9 C92 151.89(19) . .
C63 K3 O9 C92 -158.93(19) . .
V2 K3 O9 C92 -104.41(19) . .
C65 K3 O9 C92 162.62(19) . .
K4 K3 O9 C92 31.4(2) 2_566 .
C91 O9 C92 C93 -176.1(3) . .
K3 O9 C92 C93 -37.7(3) . .
O9 C92 C93 O10 62.6(3) . .
C92 C93 O10 C94 176.7(3) . .
C92 C93 O10 K3 -56.2(3) . .
O8 K3 O10 C94 23.6(2) . .
O9 K3 O10 C94 153.2(2) . .
N3 K3 O10 C94 -60.0(2) . .
C67 K3 O10 C94 40.1(3) . .
C62 K3 O10 C94 -106.0(5) . .
C66 K3 O10 C94 81.3(2) . .
C63 K3 O10 C94 -174.06(18) . .
V2 K3 O10 C94 -85.3(2) . .
C65 K3 O10 C94 116.2(2) . .
K4 K3 O10 C94 -15.8(2) 2_566 .
O8 K3 O10 C93 -104.17(19) . .
O9 K3 O10 C93 25.38(18) . .
N3 K3 O10 C93 172.26(18) . .
C67 K3 O10 C93 -87.7(3) . .
C62 K3 O10 C93 126.2(5) . .
C66 K3 O10 C93 -46.4(2) . .
C63 K3 O10 C93 58.2(3) . .
V2 K3 O10 C93 146.95(17) . .
C65 K3 O10 C93 -11.6(2) . .
K4 K3 O10 C93 -143.61(18) 2_566 .
C50 O7 K4 O8 155.97(14) . 2_566
V2 O7 K4 O8 -42.32(11) . 2_566
C50 O7 K4 O12 -57.63(15) . .
V2 O7 K4 O12 104.08(7) . .
C50 O7 K4 O11 0.02(16) . .
V2 O7 K4 O11 161.73(7) . .
C50 O7 K4 N3 -176.45(16) . 2_566
V2 O7 K4 N3 -14.74(6) . 2_566
C50 O7 K4 C80 114.03(16) . 2_566
V2 O7 K4 C80 -84.26(11) . 2_566
C50 O7 K4 C85 103.99(15) . 2_566
V2 O7 K4 C85 -94.30(7) . 2_566
C50 O7 K4 V2 -161.71(18) . .
C50 O7 K4 C79 118.56(15) . 2_566
V2 O7 K4 C79 -79.73(7) . 2_566
C50 O7 K4 C96 -15.37(16) . .
V2 O7 K4 C96 146.34(8) . .
C50 O7 K4 K3 178.84(14) . 2_566
V2 O7 K4 K3 -19.45(7) . 2_566
N3 V2 K4 O8 -2.28(9) 2_566 2_566
N3 V2 K4 O8 51.74(9) . 2_566
O7 V2 K4 O8 151.85(8) . 2_566
N4 V2 K4 O8 -108.55(7) . 2_566
V2 V2 K4 O8 24.20(5) 2_566 2_566
K3 V2 K4 O8 132.69(5) . 2_566
N3 V2 K4 O12 132.40(9) 2_566 .
N3 V2 K4 O12 -173.58(9) . .
O7 V2 K4 O12 -73.46(8) . .
N4 V2 K4 O12 26.14(8) . .
V2 V2 K4 O12 158.89(5) 2_566 .
K3 V2 K4 O12 -92.63(5) . .
N3 V2 K4 O11 -179.15(10) 2_566 .
N3 V2 K4 O11 -125.13(11) . .
O7 V2 K4 O11 -25.01(9) . .
N4 V2 K4 O11 74.59(9) . .
V2 V2 K4 O11 -152.66(7) 2_566 .
K3 V2 K4 O11 -44.18(8) . .
N3 V2 K4 N3 54.02(14) . 2_566
O7 V2 K4 N3 154.14(10) . 2_566
N4 V2 K4 N3 -106.26(10) . 2_566
V2 V2 K4 N3 26.49(8) 2_566 2_566
K3 V2 K4 N3 134.97(8) . 2_566
N3 V2 K4 C80 -25.61(10) 2_566 2_566
N3 V2 K4 C80 28.41(10) . 2_566
O7 V2 K4 C80 128.52(9) . 2_566
N4 V2 K4 C80 -131.88(9) . 2_566
V2 V2 K4 C80 0.87(7) 2_566 2_566
K3 V2 K4 C80 109.36(7) . 2_566
N3 V2 K4 O7 -154.14(10) 2_566 .
N3 V2 K4 O7 -100.12(10) . .
N4 V2 K4 O7 99.60(9) . .
V2 V2 K4 O7 -127.65(7) 2_566 .
K3 V2 K4 O7 -19.17(7) . .
N3 V2 K4 C85 -50.93(9) 2_566 2_566
N3 V2 K4 C85 3.09(9) . 2_566
O7 V2 K4 C85 103.21(8) . 2_566
N4 V2 K4 C85 -157.19(8) . 2_566
V2 V2 K4 C85 -24.44(5) 2_566 2_566
K3 V2 K4 C85 84.04(5) . 2_566
N3 V2 K4 C79 -51.43(8) 2_566 2_566
N3 V2 K4 C79 2.59(9) . 2_566
O7 V2 K4 C79 102.71(7) . 2_566
N4 V2 K4 C79 -157.69(7) . 2_566
V2 V2 K4 C79 -24.94(4) 2_566 2_566
K3 V2 K4 C79 83.54(5) . 2_566
N3 V2 K4 C96 168.67(10) 2_566 .
N3 V2 K4 C96 -137.31(10) . .
O7 V2 K4 C96 -37.19(9) . .
N4 V2 K4 C96 62.41(9) . .
V2 V2 K4 C96 -164.84(7) 2_566 .
K3 V2 K4 C96 -56.36(7) . .
N3 V2 K4 K3 6.81(8) 2_566 2_566
N3 V2 K4 K3 60.83(8) . 2_566
O7 V2 K4 K3 160.95(6) . 2_566
N4 V2 K4 K3 -99.45(6) . 2_566
V2 V2 K4 K3 33.295(19) 2_566 2_566
K3 V2 K4 K3 141.78(2) . 2_566
O8 K4 O11 C96 152.63(19) 2_566 .
O12 K4 O11 C96 28.08(19) . .
N3 K4 O11 C96 -32.2(4) 2_566 .
C80 K4 O11 C96 169.7(2) 2_566 .
O7 K4 O11 C96 -44.2(2) . .
C85 K4 O11 C96 -165.3(2) 2_566 .
V2 K4 O11 C96 -30.5(2) . .
C79 K4 O11 C96 -149.26(19) 2_566 .
K3 K4 O11 C96 138.02(18) 2_566 .
O8 K4 O11 C95 -75.4(2) 2_566 .
O12 K4 O11 C95 160.0(2) . .
N3 K4 O11 C95 99.7(3) 2_566 .
C80 K4 O11 C95 -58.4(2) 2_566 .
O7 K4 O11 C95 87.7(2) . .
C85 K4 O11 C95 -33.4(2) 2_566 .
V2 K4 O11 C95 101.4(2) . .
C79 K4 O11 C95 -17.3(2) 2_566 .
C96 K4 O11 C95 131.9(3) . .
K3 K4 O11 C95 -90.1(2) 2_566 .
C95 O11 C96 C97 166.9(3) . .
K4 O11 C96 C97 -57.8(3) . .
C95 O11 C96 K4 -135.3(3) . .
O8 K4 C96 O11 -35.2(2) 2_566 .
O12 K4 C96 O11 -142.2(2) . .
N3 K4 C96 O11 166.24(16) 2_566 .
C80 K4 C96 O11 -11.4(2) 2_566 .
O7 K4 C96 O11 137.1(2) . .
C85 K4 C96 O11 16.5(2) 2_566 .
V2 K4 C96 O11 156.34(18) . .
C79 K4 C96 O11 39.8(2) 2_566 .
K3 K4 C96 O11 -86.2(3) 2_566 .
O8 K4 C96 C97 90.5(2) 2_566 .
O12 K4 C96 C97 -16.51(17) . .
O11 K4 C96 C97 125.7(3) . .
N3 K4 C96 C97 -68.0(2) 2_566 .
C80 K4 C96 C97 114.29(19) 2_566 .
O7 K4 C96 C97 -97.17(19) . .
C85 K4 C96 C97 142.18(18) 2_566 .
V2 K4 C96 C97 -77.9(2) . .
C79 K4 C96 C97 165.54(17) 2_566 .
K3 K4 C96 C97 39.5(3) 2_566 .
O11 C96 C97 O12 62.0(3) . .
K4 C96 C97 O12 22.5(2) . .
C96 C97 O12 C98 177.7(3) . .
C96 C97 O12 K4 -34.7(3) . .
O8 K4 O12 C98 51.3(3) 2_566 .
O11 K4 O12 C98 149.4(2) . .
N3 K4 O12 C98 -44.7(2) 2_566 .
C80 K4 O12 C98 86.7(2) 2_566 .
O7 K4 O12 C98 -100.5(2) . .
C85 K4 O12 C98 118.1(2) 2_566 .
V2 K4 O12 C98 -68.7(2) . .
C79 K4 O12 C98 -173.2(8) 2_566 .
C96 K4 O12 C98 164.8(3) . .
K3 K4 O12 C98 4.9(2) 2_566 .
O8 K4 O12 C97 -93.7(2) 2_566 .
O11 K4 O12 C97 4.5(2) . .
N3 K4 O12 C97 170.4(2) 2_566 .
C80 K4 O12 C97 -58.2(2) 2_566 .
O7 K4 O12 C97 114.5(2) . .
C85 K4 O12 C97 -26.9(3) 2_566 .
V2 K4 O12 C97 146.4(2) . .
C79 K4 O12 C97 41.9(10) 2_566 .
C96 K4 O12 C97 19.9(2) . .
K3 K4 O12 C97 -140.0(2) 2_566 .
C104 C99 C100 C101 -0.2(6) . .
C105 C99 C100 C101 179.5(4) . .
C99 C100 C101 C102 -0.4(6) . .
C100 C101 C102 C103 1.5(7) . .
C101 C102 C103 C104 -1.9(6) . .
C102 C103 C104 C99 1.3(6) . .
C100 C99 C104 C103 -0.2(5) . .
C105 C99 C104 C103 -180.0(3) . .
C111 C106 C107 C108 -1.0(5) . .
C112 C106 C107 C108 178.1(3) . .
C106 C107 C108 C109 1.5(5) . .
C107 C108 C109 C110 -0.8(5) . .
C108 C109 C110 C111 -0.4(5) . .
C109 C110 C111 C106 0.9(5) . .
C107 C106 C111 C110 -0.2(5) . .
C112 C106 C111 C110 -179.3(3) . .
