#------------------------------------------------------------------------------
#$Date: 2019-11-25 08:25:36 +0200 (Mon, 25 Nov 2019) $
#$Revision: 240506 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/98/4129854.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_4129854
loop_
_publ_author_name
'Brewitz, Lennart'
'Arteaga, Fernando Arteaga'
'Yin, Liang'
'Alagiri, Kaliyamoorthy'
'Kumagai, Naoya'
'Shibasaki, Masakatsu'
_publ_section_title
;
 Direct Catalytic Asymmetric Mannich-Type Reaction of α- and
 β-Fluorinated Amides.
;
_journal_issue                   50
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15929
_journal_page_last               15939
_journal_paper_doi               10.1021/jacs.5b11064
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         'C59.88 H52.33 Cu F9 N2 O2.38 P3'
_chemical_formula_sum            'C59.88 H52.33 Cu F9 N2 O2.38 P3'
_chemical_formula_weight         1165.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 96.477(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   18.2815(3)
_cell_length_b                   18.3875(3)
_cell_length_c                   33.1185(6)
_cell_measurement_reflns_used    89852
_cell_measurement_temperature    93
_cell_measurement_theta_max      68.39
_cell_measurement_theta_min      3.42
_cell_volume                     11061.8(4)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            127441
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.687
_diffrn_reflns_theta_max         68.254
_diffrn_reflns_theta_min         3.420
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.032
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.600
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             4797.20
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.90
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1401
_refine_ls_number_reflns         20229
_refine_ls_number_restraints     111
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0747
_refine_ls_shift/su_max          0.012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1355P)²+3.5828P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2173
_refine_ls_wR_factor_ref         0.2349
_reflns_number_gt                13968
_reflns_number_total             20229
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja5b11064_si_008.cif
_cod_data_source_block           20140724Yin
_cod_database_code               4129854
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+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_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.51473(3) 0.87694(3) 0.16394(2) 0.04052(18) Uani 1 4 d .
Cu2 Cu 0.50257(3) 1.25405(3) 0.34678(2) 0.04439(19) Uani 1 4 d .
P1 P 0.48087(6) 0.92200(6) 0.10130(3) 0.0389(2) Uani 1 4 d .
P2 P 0.61148(6) 0.94671(5) 0.18445(3) 0.0364(2) Uani 1 4 d .
P3 P 0.40241(6) 1.18498(6) 0.32929(3) 0.0395(3) Uani 1 4 d .
P4 P 0.53140(6) 1.22217(6) 0.41290(3) 0.0448(3) Uani 1 4 d .
P5 P 0.36388(7) 0.45017(6) 0.19070(4) 0.0569(3) Uani 1 4 d .
P6 P 0.86891(10) 0.16873(8) 0.20501(5) 0.0770(5) Uani 1 4 d .
F1 F 0.61933(18) 0.56106(15) 0.14980(10) 0.0795(9) Uani 1 4 d .
F2 F 0.5789(2) 0.65035(17) 0.11257(9) 0.0901(11) Uani 1 4 d .
F3 F 0.65854(17) 0.66887(15) 0.16436(10) 0.0743(8) Uani 1 4 d .
F4 F 0.41714(19) 1.48651(18) 0.37506(10) 0.0853(10) Uani 1 4 d .
F5 F 0.34656(15) 1.44787(17) 0.32359(11) 0.0822(10) Uani 1 4 d .
F6 F 0.37361(16) 1.56153(16) 0.32908(10) 0.0768(9) Uani 1 4 d .
F7 F 0.2905(2) 0.4153(2) 0.20097(15) 0.1291(16) Uani 1 4 d .
F8 F 0.4386(2) 0.4871(2) 0.18394(15) 0.1219(15) Uani 1 4 d .
F9 F 0.3613(3) 0.50594(17) 0.22778(10) 0.1065(14) Uani 1 4 d .
F10 F 0.3650(2) 0.39459(16) 0.15466(10) 0.0892(11) Uani 1 4 d .
F11 F 0.4066(2) 0.39463(17) 0.22118(12) 0.1104(14) Uani 1 4 d .
F12 F 0.3239(3) 0.50749(18) 0.16168(11) 0.1145(15) Uani 1 4 d .
F13 F 0.8462(3) 0.10539(18) 0.23630(14) 0.1195(15) Uani 1 4 d .
F14 F 0.8822(4) 0.2301(2) 0.17482(17) 0.171(3) Uani 1 4 d .
F15 F 0.7853(3) 0.1799(4) 0.19250(14) 0.179(3) Uani 1 4 d .
F16 F 0.9477(2) 0.1503(3) 0.22060(14) 0.158(2) Uani 1 4 d .
F17 F 0.8727(2) 0.11132(19) 0.17058(11) 0.1019(12) Uani 1 4 d .
F18 F 0.8643(3) 0.22257(17) 0.24138(12) 0.1154(15) Uani 1 4 d .
O1 O 0.54036(18) 0.76640(15) 0.16432(9) 0.0509(8) Uani 1 4 d .
O2 O 0.47690(16) 1.36470(16) 0.33947(9) 0.0477(7) Uani 1 4 d .
O3 O 0.1713(3) 1.1113(3) 0.56836(16) 0.0833(16) Uani 0.764(4) 4 d .
O4 O 0.4338(10) 1.2949(10) 0.5645(6) 0.083(5) Uiso 0.202(4) 4 d .
O5 O 0.6716(5) 1.2588(4) 0.5959(3) 0.147(3) Uiso 0.798(4) 4 d .
O6 O 0.1671(8) 0.8499(7) 0.4789(4) 0.129(3) Uiso 0.553(9) 4 d .
O7 O 0.2139(7) 0.7423(7) 0.4796(4) 0.112(4) Uiso 0.447(9) 4 d .
N1 N 0.43893(19) 0.85504(18) 0.20212(10) 0.0422(8) Uani 1 4 d .
N2 N 0.4517(2) 0.72368(18) 0.20162(11) 0.0463(9) Uani 1 4 d .
N3 N 0.57493(18) 1.26624(18) 0.30476(10) 0.0406(8) Uani 1 4 d .
N4 N 0.54973(18) 1.39439(18) 0.29081(10) 0.0407(8) Uani 1 4 d .
C1 C 0.5955(2) 1.0252(2) 0.09765(11) 0.0358(9) Uani 1 4 d .
C2 C 0.5579(2) 0.9664(2) 0.07941(12) 0.0386(9) Uani 1 4 d .
C3 C 0.5867(2) 0.9316(2) 0.04632(12) 0.0465(10) Uani 1 4 d .
C4 C 0.6495(3) 0.9540(3) 0.03217(13) 0.0494(11) Uani 1 4 d .
C5 C 0.6893(2) 1.0134(3) 0.04991(13) 0.0467(10) Uani 1 4 d .
C6 C 0.7558(3) 1.0367(3) 0.03629(15) 0.0594(13) Uani 1 4 d .
C7 C 0.7937(3) 1.0948(3) 0.05407(15) 0.0606(13) Uani 1 4 d .
C8 C 0.7686(2) 1.1309(3) 0.08670(14) 0.0544(12) Uani 1 4 d .
C9 C 0.7025(2) 1.1100(2) 0.10040(13) 0.0440(10) Uani 1 4 d .
C10 C 0.6619(2) 1.0512(2) 0.08234(12) 0.0399(9) Uani 1 4 d .
C11 C 0.5690(2) 1.0657(2) 0.13236(12) 0.0362(9) Uani 1 4 d .
C12 C 0.5768(2) 1.0377(2) 0.17146(11) 0.0343(8) Uani 1 4 d .
C13 C 0.5457(2) 1.0766(2) 0.20252(12) 0.0380(9) Uani 1 4 d .
C14 C 0.5110(2) 1.1420(2) 0.19525(12) 0.0407(9) Uani 1 4 d .
C15 C 0.5056(2) 1.1737(2) 0.15653(12) 0.0371(9) Uani 1 4 d .
C16 C 0.4704(2) 1.2412(2) 0.14805(14) 0.0441(10) Uani 1 4 d .
C17 C 0.4641(2) 1.2709(2) 0.10983(14) 0.0478(11) Uani 1 4 d .
C18 C 0.4935(2) 1.2336(2) 0.07818(14) 0.0466(10) Uani 1 4 d .
C19 C 0.5282(2) 1.1681(2) 0.08541(12) 0.0392(9) Uani 1 4 d .
C20 C 0.5346(2) 1.1352(2) 0.12439(12) 0.0361(9) Uani 1 4 d .
C21 C 0.4049(2) 0.9863(2) 0.09722(12) 0.0405(9) Uani 1 4 d .
C22 C 0.4016(2) 1.0482(2) 0.07314(13) 0.0435(10) Uani 1 4 d .
C23 C 0.3412(3) 1.0949(3) 0.07249(14) 0.0547(12) Uani 1 4 d .
C24 C 0.2841(3) 1.0791(3) 0.09416(15) 0.0641(15) Uani 1 4 d .
C25 C 0.2865(3) 1.0168(3) 0.11732(15) 0.0660(15) Uani 1 4 d .
C26 C 0.3465(2) 0.9709(3) 0.11924(13) 0.0528(11) Uani 1 4 d .
C27 C 0.4487(2) 0.8534(2) 0.06316(12) 0.0425(10) Uani 1 4 d .
C28 C 0.3937(3) 0.8667(2) 0.03196(13) 0.0483(11) Uani 1 4 d .
C29 C 0.3705(3) 0.8116(3) 0.00491(14) 0.0514(11) Uani 1 4 d .
C30 C 0.4013(3) 0.7425(3) 0.00943(14) 0.0486(11) Uani 1 4 d .
C31 C 0.4555(3) 0.7297(3) 0.04029(14) 0.0514(11) Uani 1 4 d .
C32 C 0.4791(2) 0.7839(2) 0.06799(13) 0.0468(10) Uani 1 4 d .
C33 C 0.6933(2) 0.9284(2) 0.15919(12) 0.0392(9) Uani 1 4 d .
C34 C 0.7522(2) 0.9759(2) 0.15938(12) 0.0443(10) Uani 1 4 d .
C35 C 0.8133(3) 0.9574(3) 0.14024(13) 0.0519(11) Uani 1 4 d .
C36 C 0.8167(3) 0.8893(3) 0.12218(14) 0.0566(13) Uani 1 4 d .
C37 C 0.7591(3) 0.8418(3) 0.12287(15) 0.0601(13) Uani 1 4 d .
C38 C 0.6966(3) 0.8604(2) 0.14107(13) 0.0503(11) Uani 1 4 d .
C39 C 0.6497(2) 0.9541(2) 0.23782(12) 0.0361(9) Uani 1 4 d .
C40 C 0.6445(2) 0.8947(2) 0.26229(13) 0.0415(9) Uani 1 4 d .
C41 C 0.6742(2) 0.8953(2) 0.30262(13) 0.0452(10) Uani 1 4 d .
C42 C 0.7073(2) 0.9578(2) 0.31908(13) 0.0464(10) Uani 1 4 d .
C43 C 0.7144(2) 1.0174(2) 0.29514(13) 0.0434(10) Uani 1 4 d .
C44 C 0.6865(2) 1.0166(2) 0.25391(12) 0.0399(9) Uani 1 4 d .
C45 C 0.4185(2) 0.7890(2) 0.21253(13) 0.0432(10) Uani 1 4 d .
C46 C 0.3612(3) 0.7742(2) 0.23560(14) 0.0506(11) Uani 1 4 d .
C47 C 0.3224(3) 0.8310(3) 0.24949(16) 0.0605(13) Uani 1 4 d .
C48 C 0.3435(3) 0.9014(3) 0.23984(15) 0.0569(12) Uani 1 4 d .
C49 C 0.4008(3) 0.9111(2) 0.21709(13) 0.0477(11) Uani 1 4 d .
C50 C 0.4135(3) 0.6606(2) 0.21824(17) 0.0611(14) Uani 1 4 d .
C51 C 0.3525(3) 0.6945(3) 0.24110(17) 0.0643(14) Uani 1 4 d .
C52 C 0.5094(3) 0.7161(2) 0.18035(14) 0.0475(11) Uani 1 4 d .
C53 C 0.5371(3) 0.6383(2) 0.17681(15) 0.0562(13) Uani 1 4 d .
C54 C 0.5986(3) 0.6315(3) 0.15100(17) 0.0656(15) Uani 1 4 d .
C55 C 0.4464(2) 1.0761(2) 0.38773(13) 0.0432(10) Uani 1 4 d .
C56 C 0.4384(2) 1.0963(2) 0.34709(13) 0.0415(10) Uani 1 4 d .
C57 C 0.4719(2) 1.0535(2) 0.31838(13) 0.0452(10) Uani 1 4 d .
C58 C 0.5088(3) 0.9914(3) 0.32997(14) 0.0529(11) Uani 1 4 d .
C59 C 0.5153(2) 0.9670(3) 0.37057(15) 0.0510(11) Uani 1 4 d .
C60 C 0.5525(3) 0.9009(3) 0.38236(16) 0.0606(13) Uani 1 4 d .
C61 C 0.5577(3) 0.8785(3) 0.42204(17) 0.0627(14) Uani 1 4 d .
C62 C 0.5260(3) 0.9191(3) 0.45081(16) 0.0564(13) Uani 1 4 d .
C63 C 0.4898(2) 0.9834(3) 0.44053(14) 0.0499(11) Uani 1 4 d .
C64 C 0.4833(2) 1.0094(2) 0.40000(13) 0.0443(10) Uani 1 4 d .
C65 C 0.4173(2) 1.1209(2) 0.42002(13) 0.0436(10) Uani 1 4 d .
C66 C 0.4519(2) 1.1844(3) 0.43513(13) 0.0458(10) Uani 1 4 d .
C67 C 0.4215(3) 1.2239(3) 0.46617(14) 0.0506(11) Uani 1 4 d .
C68 C 0.3586(3) 1.2016(3) 0.48074(14) 0.0524(11) Uani 1 4 d .
C69 C 0.3213(2) 1.1378(3) 0.46598(14) 0.0508(11) Uani 1 4 d .
C70 C 0.2538(3) 1.1155(3) 0.47953(15) 0.0570(13) Uani 1 4 d .
C71 C 0.2180(3) 1.0560(3) 0.46355(17) 0.0632(14) Uani 1 4 d .
C72 C 0.2465(3) 1.0156(3) 0.43274(16) 0.0582(13) Uani 1 4 d .
C73 C 0.3114(2) 1.0354(3) 0.41894(14) 0.0493(11) Uani 1 4 d .
C74 C 0.3504(2) 1.0973(2) 0.43520(13) 0.0453(10) Uani 1 4 d .
C75 C 0.3627(2) 1.1701(2) 0.27741(12) 0.0399(9) Uani 1 4 d .
C76 C 0.3617(2) 1.2295(2) 0.25102(13) 0.0415(9) Uani 1 4 d .
C77 C 0.3274(2) 1.2244(3) 0.21149(13) 0.0457(10) Uani 1 4 d .
C78 C 0.2962(3) 1.1607(3) 0.19746(14) 0.0529(12) Uani 1 4 d .
C79 C 0.2965(3) 1.1003(3) 0.22262(15) 0.0532(12) Uani 1 4 d .
C80 C 0.3289(2) 1.1052(2) 0.26271(13) 0.0449(10) Uani 1 4 d .
C81 C 0.3212(2) 1.2072(2) 0.35386(12) 0.0398(9) Uani 1 4 d .
C82 C 0.2612(2) 1.1601(2) 0.35440(13) 0.0458(10) Uani 1 4 d .
C83 C 0.2009(3) 1.1807(3) 0.37292(14) 0.0537(12) Uani 1 4 d .
C84 C 0.1986(3) 1.2488(3) 0.39071(16) 0.0586(13) Uani 1 4 d .
C85 C 0.2570(3) 1.2965(3) 0.38985(15) 0.0579(12) Uani 1 4 d .
C86 C 0.3184(3) 1.2756(3) 0.37139(14) 0.0499(11) Uani 1 4 d .
C87 C 0.6034(2) 1.1548(2) 0.42574(13) 0.0455(10) Uani 1 4 d .
C88 C 0.6547(3) 1.1435(3) 0.39885(14) 0.0552(12) Uani 1 4 d .
C89 C 0.7091(3) 1.0894(3) 0.40630(15) 0.0602(13) Uani 1 4 d .
C90 C 0.7102(3) 1.0469(3) 0.44071(16) 0.0603(13) Uani 1 4 d .
C91 C 0.6603(3) 1.0589(3) 0.46798(17) 0.0602(13) Uani 1 4 d .
C92 C 0.6072(3) 1.1133(3) 0.46073(15) 0.0553(12) Uani 1 4 d .
C93 C 0.5579(3) 1.2998(3) 0.44581(15) 0.0527(11) Uani 1 4 d .
C94 C 0.6127(3) 1.2981(3) 0.47804(19) 0.0840(19) Uani 1 4 d .
C95 C 0.6305(4) 1.3589(4) 0.5013(2) 0.107(3) Uani 1 4 d .
C96 C 0.5933(3) 1.4235(3) 0.4933(2) 0.0833(18) Uani 1 4 d .
C97 C 0.5390(3) 1.4267(3) 0.46081(17) 0.0659(14) Uani 1 4 d .
C98 C 0.5219(3) 1.3662(3) 0.43724(15) 0.0559(12) Uani 1 4 d .
C99 C 0.5886(2) 1.3285(2) 0.28617(12) 0.0386(9) Uani 1 4 d .
C100 C 0.6417(2) 1.3384(2) 0.26026(12) 0.0428(10) Uani 1 4 d .
C101 C 0.6855(3) 1.2810(2) 0.25244(13) 0.0509(11) Uani 1 4 d .
C102 C 0.6719(3) 1.2145(2) 0.27039(14) 0.0506(11) Uani 1 4 d .
C103 C 0.6175(2) 1.2097(2) 0.29521(13) 0.0447(10) Uani 1 4 d .
C104 C 0.6422(3) 1.4157(3) 0.24562(14) 0.0536(12) Uani 1 4 d .
C105 C 0.5765(2) 1.4501(2) 0.26277(14) 0.0492(11) Uani 1 4 d .
C106 C 0.4982(2) 1.4085(2) 0.31531(13) 0.0417(10) Uani 1 4 d .
C107 C 0.4664(2) 1.4843(2) 0.31211(14) 0.0477(11) Uani 1 4 d .
C108 C 0.4012(3) 1.4937(3) 0.33463(18) 0.0642(14) Uani 1 4 d .
C109 C 0.1069(5) 1.0924(4) 0.5849(2) 0.081(2) Uani 0.764(4) 4 d .
C110 C 0.1208(4) 1.1151(4) 0.6283(2) 0.074(2) Uani 0.764(4) 4 d .
C111 C 0.1670(4) 1.1849(4) 0.6286(2) 0.0695(19) Uani 0.764(4) 4 d .
C112 C 0.2109(5) 1.1685(4) 0.5928(2) 0.080(2) Uani 0.764(4) 4 d .
C113 C -0.0135(15) 0.9687(8) 0.5113(4) 0.090(7) Uiso 0.236(4) 4 d .
C114 C 0.2041(10) 0.7835(9) 0.4708(5) 0.119(3) Uiso 0.553(9) 4 d .
C116 C 0.1781(9) 0.7318(7) 0.5025(4) 0.097(3) Uiso 0.553(9) 4 d .
C117 C 0.6941(7) 1.1849(6) 0.6078(4) 0.153(4) Uiso 0.798(4) 4 d .
C118 C 0.6447(6) 1.1626(5) 0.6354(3) 0.122(3) Uiso 0.798(4) 4 d .
C119 C 0.6110(6) 1.2323(5) 0.6472(3) 0.125(3) Uiso 0.798(4) 4 d .
C120 C 0.5968(6) 1.2718(6) 0.6066(3) 0.116(3) Uiso 0.798(4) 4 d .
C121 C 0.1565(9) 0.7724(8) 0.5337(4) 0.119(4) Uiso 0.553(9) 4 d .
C122 C 0.1211(8) 0.8390(8) 0.5110(5) 0.111(4) Uiso 0.553(9) 4 d .
C123 C 0.4544(16) 1.2897(13) 0.6066(6) 0.083(6) Uiso 0.202(4) 4 d .
C124 C 0.4902(16) 1.3628(14) 0.6151(7) 0.081(6) Uiso 0.202(4) 4 d .
C125 C 0.5288(14) 1.3766(14) 0.5804(7) 0.076(6) Uiso 0.202(4) 4 d .
C126 C 0.4868(13) 1.3310(14) 0.5486(6) 0.071(6) Uiso 0.202(4) 4 d .
C127 C -0.014(2) 0.9699(15) 0.5560(5) 0.138(9) Uiso 0.236(4) 4 d .
C128 C 0.2085(11) 0.7572(10) 0.5192(5) 0.107(4) Uiso 0.447(9) 4 d .
C129 C 0.1477(12) 0.8103(11) 0.5216(6) 0.128(4) Uiso 0.447(9) 4 d .
C130 C 0.1474(13) 0.8613(11) 0.4849(7) 0.120(4) Uiso 0.447(9) 4 d .
C131 C 0.2095(11) 0.8175(9) 0.4670(6) 0.105(4) Uiso 0.447(9) 4 d .
C132 C -0.038(2) 1.0414(19) 0.5754(8) 0.166(11) Uiso 0.236(4) 4 d .
H3 H 0.56093 0.89125 0.0337 0.0559 Uiso 1 4 calc R
H4 H 0.66695 0.92924 0.00997 0.0592 Uiso 1 4 calc R
H6 H 0.77451 1.01178 0.01452 0.0713 Uiso 1 4 calc R
H7 H 0.83769 1.11062 0.04398 0.0727 Uiso 1 4 calc R
H8 H 0.79642 1.16971 0.09962 0.0653 Uiso 1 4 calc R
H9 H 0.68465 1.13566 0.12217 0.0528 Uiso 1 4 calc R
H10A H 0.63627 1.41789 0.21556 0.0643 Uiso 1 4 calc R
H10B H 0.6885 1.44054 0.25609 0.0643 Uiso 1 4 calc R
H10C H 0.59143 1.49518 0.2778 0.0591 Uiso 1 4 calc R
H10D H 0.53734 1.46206 0.24064 0.0591 Uiso 1 4 calc R
H10E H 0.50485 1.51938 0.32276 0.0573 Uiso 1 4 calc R
H10F H 0.4521 1.49583 0.2831 0.0573 Uiso 1 4 calc R
H10G H 0.0978 1.03942 0.5827 0.0969 Uiso 0.764(4) 4 calc R
H10H H 0.06388 1.11849 0.57093 0.0969 Uiso 0.764(4) 4 calc R
H11A H 0.14791 1.07668 0.64476 0.0887 Uiso 0.764(4) 4 calc R
H11B H 0.07375 1.12453 0.63957 0.0887 Uiso 0.764(4) 4 calc R
H11C H 0.13579 1.22871 0.62363 0.0834 Uiso 0.764(4) 4 calc R
H11D H 0.19955 1.19073 0.6544 0.0834 Uiso 0.764(4) 4 calc R
H11E H 0.21484 1.2128 0.57616 0.0962 Uiso 0.764(4) 4 calc R
H11F H 0.26115 1.15194 0.60287 0.0962 Uiso 0.764(4) 4 calc R
H13 H 0.54912 1.05659 0.22911 0.0456 Uiso 1 4 calc R
H14 H 0.4904 1.16616 0.21666 0.0488 Uiso 1 4 calc R
H16 H 0.45064 1.26668 0.16931 0.0529 Uiso 1 4 calc R
H17 H 0.44004 1.31627 0.10472 0.0573 Uiso 1 4 calc R
H18 H 0.48926 1.25398 0.05167 0.0559 Uiso 1 4 calc R
H19 H 0.54844 1.14415 0.06382 0.0471 Uiso 1 4 calc R
H22 H 0.4403 1.05885 0.05717 0.0522 Uiso 1 4 calc R
H23 H 0.33986 1.13816 0.05675 0.0656 Uiso 1 4 calc R
H24 H 0.24289 1.11082 0.09328 0.0769 Uiso 1 4 calc R
H25 H 0.24646 1.00525 0.13213 0.0792 Uiso 1 4 calc R
H26 H 0.34787 0.92857 0.13574 0.0633 Uiso 1 4 calc R
H28 H 0.37186 0.91353 0.029 0.0579 Uiso 1 4 calc R
H29 H 0.33323 0.82115 -0.01684 0.0617 Uiso 1 4 calc R
H30 H 0.38473 0.70463 -0.00885 0.0583 Uiso 1 4 calc R
H31 H 0.47757 0.68289 0.04294 0.0617 Uiso 1 4 calc R
H32 H 0.51562 0.77372 0.09001 0.0562 Uiso 1 4 calc R
H34 H 0.75073 1.02158 0.17271 0.0531 Uiso 1 4 calc R
H35 H 0.85263 0.99098 0.13948 0.0623 Uiso 1 4 calc R
H36 H 0.85872 0.87585 0.10944 0.0680 Uiso 1 4 calc R
H37 H 0.76181 0.79529 0.11068 0.0721 Uiso 1 4 calc R
H38 H 0.65686 0.82718 0.14111 0.0604 Uiso 1 4 calc R
H40 H 0.62001 0.85234 0.25138 0.0498 Uiso 1 4 calc R
H41 H 0.67188 0.85303 0.31888 0.0542 Uiso 1 4 calc R
H42 H 0.72523 0.95938 0.34714 0.0556 Uiso 1 4 calc R
H43 H 0.73848 1.0597 0.30651 0.0521 Uiso 1 4 calc R
H44 H 0.69235 1.05761 0.23713 0.0479 Uiso 1 4 calc R
H47 H 0.28269 0.82288 0.2651 0.0726 Uiso 1 4 calc R
H48 H 0.31826 0.94224 0.24903 0.0683 Uiso 1 4 calc R
H49 H 0.41475 0.95945 0.21136 0.0572 Uiso 1 4 calc R
H50A H 0.44815 0.63177 0.23702 0.0733 Uiso 1 4 calc R
H50B H 0.39179 0.6285 0.19603 0.0733 Uiso 1 4 calc R
H51A H 0.30315 0.67807 0.22923 0.0772 Uiso 1 4 calc R
H51B H 0.35953 0.68129 0.27026 0.0772 Uiso 1 4 calc R
H53A H 0.55392 0.61973 0.20436 0.0675 Uiso 1 4 calc R
H53B H 0.49565 0.6073 0.16521 0.0675 Uiso 1 4 calc R
H57 H 0.46843 1.06853 0.29079 0.0542 Uiso 1 4 calc R
H58 H 0.53058 0.96378 0.31025 0.0635 Uiso 1 4 calc R
H60 H 0.57371 0.87242 0.36275 0.0727 Uiso 1 4 calc R
H61 H 0.58326 0.83492 0.42992 0.0752 Uiso 1 4 calc R
H62 H 0.52915 0.90216 0.47806 0.0677 Uiso 1 4 calc R
H63 H 0.46907 1.01061 0.46083 0.0599 Uiso 1 4 calc R
H67 H 0.44559 1.26658 0.47694 0.0607 Uiso 1 4 calc R
H68 H 0.33921 1.22948 0.50124 0.0628 Uiso 1 4 calc R
H70 H 0.23362 1.14259 0.50002 0.0684 Uiso 1 4 calc R
H71 H 0.17329 1.04134 0.47317 0.0758 Uiso 1 4 calc R
H72 H 0.22049 0.97424 0.42148 0.0699 Uiso 1 4 calc R
H73 H 0.33038 1.00755 0.39833 0.0592 Uiso 1 4 calc R
H76 H 0.38465 1.27379 0.26019 0.0498 Uiso 1 4 calc R
H77 H 0.32562 1.26565 0.19414 0.0548 Uiso 1 4 calc R
H78 H 0.27413 1.15747 0.17015 0.0635 Uiso 1 4 calc R
H79 H 0.2747 1.05604 0.21262 0.0638 Uiso 1 4 calc R
H80 H 0.3281 1.06436 0.28022 0.0539 Uiso 1 4 calc R
H82 H 0.26219 1.11368 0.3419 0.0549 Uiso 1 4 calc R
H83 H 0.16066 1.1482 0.37353 0.0645 Uiso 1 4 calc R
H84 H 0.15683 1.26269 0.40355 0.0703 Uiso 1 4 calc R
H85 H 0.25508 1.3433 0.40181 0.0694 Uiso 1 4 calc R
H86 H 0.35855 1.30822 0.37078 0.0598 Uiso 1 4 calc R
H88 H 0.65336 1.17259 0.37506 0.0663 Uiso 1 4 calc R
H89 H 0.74465 1.08217 0.38784 0.0723 Uiso 1 4 calc R
H90 H 0.74562 1.00915 0.44553 0.0724 Uiso 1 4 calc R
H91 H 0.66195 1.03012 0.49188 0.0722 Uiso 1 4 calc R
H92 H 0.57343 1.12189 0.48 0.0663 Uiso 1 4 calc R
H94 H 0.63864 1.25404 0.48431 0.1008 Uiso 1 4 calc R
H95 H 0.66888 1.35641 0.52307 0.1278 Uiso 1 4 calc R
H96 H 0.60481 1.46497 0.50994 0.1000 Uiso 1 4 calc R
H97 H 0.51341 1.47104 0.45469 0.0791 Uiso 1 4 calc R
H98 H 0.48488 1.36952 0.41473 0.0671 Uiso 1 4 calc R
H101 H 0.72377 1.28628 0.23546 0.0610 Uiso 1 4 calc R
H102 H 0.70023 1.17281 0.26534 0.0607 Uiso 1 4 calc R
H103 H 0.60877 1.16356 0.30664 0.0537 Uiso 1 4 calc R
H12A H 0.48954 1.24936 0.61333 0.0994 Uiso 0.202(4) 4 calc R
H12B H 0.41107 1.28323 0.62169 0.0994 Uiso 0.202(4) 4 calc R
H12C H 0.45277 1.40086 0.61781 0.0970 Uiso 0.202(4) 4 calc R
H12D H 0.5248 1.36141 0.64034 0.0970 Uiso 0.202(4) 4 calc R
H12E H 0.5809 1.36095 0.58538 0.0911 Uiso 0.202(4) 4 calc R
H12F H 0.52687 1.42869 0.57284 0.0911 Uiso 0.202(4) 4 calc R
H12G H 0.46485 1.36242 0.52615 0.0857 Uiso 0.202(4) 4 calc R
H12H H 0.52045 1.29615 0.53739 0.0857 Uiso 0.202(4) 4 calc R
H11G H 0.69043 1.15243 0.58377 0.1831 Uiso 0.798(4) 4 calc R
H11H H 0.74545 1.18419 0.62098 0.1831 Uiso 0.798(4) 4 calc R
H11I H 0.64538 1.25995 0.66679 0.1496 Uiso 0.798(4) 4 calc R
H11J H 0.56465 1.22354 0.65928 0.1496 Uiso 0.798(4) 4 calc R
H12I H 0.55833 1.24823 0.58757 0.1394 Uiso 0.798(4) 4 calc R
H12J H 0.58563 1.32408 0.60957 0.1394 Uiso 0.798(4) 4 calc R
H11K H 0.13639 0.70201 0.49008 0.1169 Uiso 0.553(9) 4 calc R
H11L H 0.21864 0.69868 0.51287 0.1169 Uiso 0.553(9) 4 calc R
H11M H 0.67111 1.13799 0.6593 0.1469 Uiso 0.798(4) 4 calc R
H11N H 0.60674 1.12925 0.62213 0.1469 Uiso 0.798(4) 4 calc R
H11O H 0.25819 0.78966 0.47472 0.1431 Uiso 0.553(9) 4 calc R
H11P H 0.18891 0.76601 0.44285 0.1431 Uiso 0.553(9) 4 calc R
H12K H 0.1558 0.83844 0.54721 0.1534 Uiso 0.447(9) 4 calc R
H12L H 0.09993 0.78463 0.52084 0.1534 Uiso 0.447(9) 4 calc R
H12M H 0.06958 0.82884 0.49986 0.1336 Uiso 0.553(9) 4 calc R
H12N H 0.12211 0.88202 0.52903 0.1336 Uiso 0.553(9) 4 calc R
H12O H 0.25547 0.77784 0.53209 0.1282 Uiso 0.447(9) 4 calc R
H12P H 0.19829 0.71195 0.5338 0.1282 Uiso 0.447(9) 4 calc R
H13A H 0.16192 0.91176 0.49247 0.1444 Uiso 0.447(9) 4 calc R
H13B H 0.10011 0.86089 0.46701 0.1444 Uiso 0.447(9) 4 calc R
H13C H 0.20098 0.81952 0.437 0.1266 Uiso 0.447(9) 4 calc R
H13D H 0.25735 0.84127 0.47554 0.1266 Uiso 0.447(9) 4 calc R
H11Q H -0.06477 0.95927 0.49938 0.1080 Uiso 0.236(4) 4 calc R
H11R H 0.01585 0.92586 0.50489 0.1080 Uiso 0.236(4) 4 calc R
H12Q H 0.03636 0.95803 0.56855 0.1655 Uiso 0.236(4) 4 calc R
H12R H -0.04684 0.93052 0.56336 0.1655 Uiso 0.236(4) 4 calc R
H13E H -0.03603 1.03514 0.60492 0.2491 Uiso 0.236(4) 4 calc R
H13F H -0.0051 1.08096 0.56943 0.2491 Uiso 0.236(4) 4 calc R
H13G H -0.08864 1.05334 0.56423 0.2491 Uiso 0.236(4) 4 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 0.0181 0.0091
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cu Cu -1.9646 0.5888
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0727 0.0534
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0311 0.0180
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0492 0.0322
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.2955 0.4335
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
P1 Cu1 P2 101.25(4) yes .
P1 Cu1 O1 113.69(9) yes .
P1 Cu1 N1 120.86(10) yes .
P2 Cu1 O1 112.91(9) yes .
P2 Cu1 N1 120.08(10) yes .
O1 Cu1 N1 88.36(13) yes .
P3 Cu2 P4 101.31(5) yes .
P3 Cu2 O2 110.68(9) yes .
P3 Cu2 N3 117.29(10) yes .
P4 Cu2 O2 112.74(9) yes .
P4 Cu2 N3 126.09(10) yes .
O2 Cu2 N3 88.19(13) yes .
Cu1 P1 C2 112.42(13) yes .
Cu1 P1 C21 115.82(14) yes .
Cu1 P1 C27 114.49(14) yes .
C2 P1 C21 107.13(19) yes .
C2 P1 C27 103.48(19) yes .
C21 P1 C27 102.28(18) yes .
Cu1 P2 C12 102.32(13) yes .
Cu1 P2 C33 114.65(13) yes .
Cu1 P2 C39 122.73(14) yes .
C12 P2 C33 110.03(18) yes .
C12 P2 C39 104.13(17) yes .
C33 P2 C39 102.28(18) yes .
Cu2 P3 C56 99.65(13) yes .
Cu2 P3 C75 123.90(14) yes .
Cu2 P3 C81 116.09(13) yes .
C56 P3 C75 105.23(19) yes .
C56 P3 C81 109.72(19) yes .
C75 P3 C81 101.45(18) yes .
Cu2 P4 C66 112.06(14) yes .
Cu2 P4 C87 118.91(15) yes .
Cu2 P4 C93 112.97(16) yes .
C66 P4 C87 103.5(2) yes .
C66 P4 C93 103.0(2) yes .
C87 P4 C93 104.8(2) yes .
F7 P5 F8 175.5(3) yes .
F7 P5 F9 89.7(2) yes .
F7 P5 F10 89.0(2) yes .
F7 P5 F11 88.3(2) yes .
F7 P5 F12 93.3(2) yes .
F8 P5 F9 86.2(2) yes .
F8 P5 F10 95.0(2) yes .
F8 P5 F11 89.7(2) yes .
F8 P5 F12 88.5(2) yes .
F9 P5 F10 178.8(2) yes .
F9 P5 F11 88.81(19) yes .
F9 P5 F12 89.28(19) yes .
F10 P5 F11 90.99(19) yes .
F10 P5 F12 90.96(19) yes .
F11 P5 F12 177.5(2) yes .
F13 P6 F14 174.4(3) yes .
F13 P6 F15 87.2(3) yes .
F13 P6 F16 85.7(3) yes .
F13 P6 F17 91.0(2) yes .
F13 P6 F18 85.6(2) yes .
F14 P6 F15 87.3(4) yes .
F14 P6 F16 99.9(4) yes .
F14 P6 F17 89.9(2) yes .
F14 P6 F18 93.6(2) yes .
F15 P6 F16 172.9(3) yes .
F15 P6 F17 91.0(3) yes .
F15 P6 F18 89.1(3) yes .
F16 P6 F17 88.8(3) yes .
F16 P6 F18 90.6(3) yes .
F17 P6 F18 176.6(2) yes .
Cu1 O1 C52 128.2(3) yes .
Cu2 O2 C106 128.9(3) yes .
C109 O3 C112 110.2(6) yes .
C123 O4 C126 107.4(19) yes .
C117 O5 C120 109.1(8) yes .
C114 O6 C122 110.2(13) yes .
C128 O7 C131 94.5(13) yes .
Cu1 N1 C45 125.3(3) yes .
Cu1 N1 C49 119.4(3) yes .
C45 N1 C49 115.2(4) yes .
C45 N2 C50 109.5(4) yes .
C45 N2 C52 127.6(4) yes .
C50 N2 C52 122.9(4) yes .
Cu2 N3 C99 125.3(3) yes .
Cu2 N3 C103 120.6(3) yes .
C99 N3 C103 114.0(4) yes .
C99 N4 C105 108.2(3) yes .
C99 N4 C106 128.8(4) yes .
C105 N4 C106 123.0(3) yes .
C2 C1 C10 120.0(4) yes .
C2 C1 C11 122.5(4) yes .
C10 C1 C11 117.5(3) yes .
P1 C2 C1 122.5(3) yes .
P1 C2 C3 118.0(3) yes .
C1 C2 C3 118.7(4) yes .
C2 C3 C4 122.2(4) yes .
C3 C4 C5 120.8(4) yes .
C4 C5 C6 121.8(4) yes .
C4 C5 C10 119.2(4) yes .
C6 C5 C10 119.0(4) yes .
C5 C6 C7 120.8(5) yes .
C6 C7 C8 120.7(5) yes .
C7 C8 C9 119.8(4) yes .
C8 C9 C10 120.7(4) yes .
C1 C10 C5 119.1(4) yes .
C1 C10 C9 121.9(4) yes .
C5 C10 C9 118.9(4) yes .
C1 C11 C12 121.7(3) yes .
C1 C11 C20 118.4(3) yes .
C12 C11 C20 119.9(4) yes .
P2 C12 C11 123.9(3) yes .
P2 C12 C13 116.6(3) yes .
C11 C12 C13 118.8(3) yes .
C12 C13 C14 122.0(4) yes .
C13 C14 C15 120.7(4) yes .
C14 C15 C16 122.1(4) yes .
C14 C15 C20 118.8(4) yes .
C16 C15 C20 119.1(4) yes .
C15 C16 C17 121.5(4) yes .
C16 C17 C18 119.6(4) yes .
C17 C18 C19 120.4(4) yes .
C18 C19 C20 121.6(4) yes .
C11 C20 C15 119.7(4) yes .
C11 C20 C19 122.4(4) yes .
C15 C20 C19 117.8(3) yes .
P1 C21 C22 124.0(3) yes .
P1 C21 C26 117.1(3) yes .
C22 C21 C26 118.9(4) yes .
C21 C22 C23 119.7(4) yes .
C22 C23 C24 120.8(4) yes .
C23 C24 C25 119.5(5) yes .
C24 C25 C26 120.7(5) yes .
C21 C26 C25 120.4(5) yes .
P1 C27 C28 123.0(3) yes .
P1 C27 C32 117.3(3) yes .
C28 C27 C32 119.7(4) yes .
C27 C28 C29 120.0(4) yes .
C28 C29 C30 120.4(4) yes .
C29 C30 C31 119.4(4) yes .
C30 C31 C32 121.1(4) yes .
C27 C32 C31 119.4(4) yes .
P2 C33 C34 123.9(3) yes .
P2 C33 C38 116.2(3) yes .
C34 C33 C38 119.8(4) yes .
C33 C34 C35 120.5(4) yes .
C34 C35 C36 119.6(4) yes .
C35 C36 C37 119.6(5) yes .
C36 C37 C38 121.3(5) yes .
C33 C38 C37 119.0(4) yes .
P2 C39 C40 117.9(3) yes .
P2 C39 C44 122.8(3) yes .
C40 C39 C44 119.3(4) yes .
C39 C40 C41 121.2(4) yes .
C40 C41 C42 119.6(4) yes .
C41 C42 C43 120.2(4) yes .
C42 C43 C44 120.5(4) yes .
C39 C44 C43 118.9(4) yes .
N1 C45 N2 124.8(4) yes .
N1 C45 C46 124.9(4) yes .
N2 C45 C46 110.3(4) yes .
C45 C46 C47 119.0(4) yes .
C45 C46 C51 110.9(4) yes .
C47 C46 C51 130.0(5) yes .
C46 C47 C48 117.5(5) yes .
C47 C48 C49 119.7(5) yes .
N1 C49 C48 123.6(4) yes .
N2 C50 C51 105.1(4) yes .
C46 C51 C50 104.1(4) yes .
O1 C52 N2 125.1(4) yes .
O1 C52 C53 119.8(4) yes .
N2 C52 C53 115.1(4) yes .
C52 C53 C54 113.6(4) yes .
F1 C54 F2 105.6(4) yes .
F1 C54 F3 106.5(4) yes .
F1 C54 C53 109.2(4) yes .
F2 C54 F3 108.0(4) yes .
F2 C54 C53 112.7(5) yes .
F3 C54 C53 114.4(4) yes .
C56 C55 C64 119.9(4) yes .
C56 C55 C65 122.5(4) yes .
C64 C55 C65 117.5(4) yes .
P3 C56 C55 123.1(3) yes .
P3 C56 C57 116.3(3) yes .
C55 C56 C57 119.4(4) yes .
C56 C57 C58 120.9(4) yes .
C57 C58 C59 121.5(4) yes .
C58 C59 C60 121.3(5) yes .
C58 C59 C64 118.8(4) yes .
C60 C59 C64 120.0(4) yes .
C59 C60 C61 119.8(5) yes .
C60 C61 C62 120.6(5) yes .
C61 C62 C63 121.1(5) yes .
C62 C63 C64 120.6(4) yes .
C55 C64 C59 119.3(4) yes .
C55 C64 C63 122.9(4) yes .
C59 C64 C63 117.8(4) yes .
C55 C65 C66 122.3(4) yes .
C55 C65 C74 117.9(4) yes .
C66 C65 C74 119.7(4) yes .
P4 C66 C65 121.3(3) yes .
P4 C66 C67 119.2(3) yes .
C65 C66 C67 119.2(4) yes .
C66 C67 C68 121.2(4) yes .
C67 C68 C69 121.3(4) yes .
C68 C69 C70 122.1(4) yes .
C68 C69 C74 118.7(4) yes .
C70 C69 C74 119.1(4) yes .
C69 C70 C71 120.7(5) yes .
C70 C71 C72 120.6(5) yes .
C71 C72 C73 120.4(5) yes .
C72 C73 C74 120.4(4) yes .
C65 C74 C69 119.7(4) yes .
C65 C74 C73 121.3(4) yes .
C69 C74 C73 118.9(4) yes .
P3 C75 C76 116.8(3) yes .
P3 C75 C80 124.8(3) yes .
C76 C75 C80 118.2(4) yes .
C75 C76 C77 120.6(4) yes .
C76 C77 C78 120.4(4) yes .
C77 C78 C79 120.7(4) yes .
C78 C79 C80 119.5(4) yes .
C75 C80 C79 120.5(4) yes .
P3 C81 C82 123.2(3) yes .
P3 C81 C86 117.5(3) yes .
C82 C81 C86 119.2(4) yes .
C81 C82 C83 120.4(4) yes .
C82 C83 C84 120.2(4) yes .
C83 C84 C85 120.2(5) yes .
C84 C85 C86 119.7(5) yes .
C81 C86 C85 120.2(4) yes .
P4 C87 C88 118.5(3) yes .
P4 C87 C92 122.5(4) yes .
C88 C87 C92 118.9(4) yes .
C87 C88 C89 120.7(4) yes .
C88 C89 C90 119.3(5) yes .
C89 C90 C91 120.2(5) yes .
C90 C91 C92 120.2(5) yes .
C87 C92 C91 120.5(5) yes .
P4 C93 C94 124.3(4) yes .
P4 C93 C98 118.2(3) yes .
C94 C93 C98 117.4(4) yes .
C93 C94 C95 121.3(5) yes .
C94 C95 C96 120.9(6) yes .
C95 C96 C97 118.8(6) yes .
C96 C97 C98 120.4(5) yes .
C93 C98 C97 121.2(4) yes .
N3 C99 N4 124.0(4) yes .
N3 C99 C100 125.4(4) yes .
N4 C99 C100 110.6(3) yes .
C99 C100 C101 119.1(4) yes .
C99 C100 C104 110.8(4) yes .
C101 C100 C104 130.1(4) yes .
C100 C101 C102 117.3(4) yes .
C101 C102 C103 119.4(4) yes .
N3 C103 C102 124.6(4) yes .
C100 C104 C105 103.8(4) yes .
N4 C105 C104 105.9(3) yes .
O2 C106 N4 124.4(4) yes .
O2 C106 C107 120.1(4) yes .
N4 C106 C107 115.5(4) yes .
C106 C107 C108 113.4(4) yes .
F4 C108 F5 106.6(5) yes .
F4 C108 F6 105.2(4) yes .
F4 C108 C107 113.1(4) yes .
F5 C108 F6 107.0(4) yes .
F5 C108 C107 114.2(5) yes .
F6 C108 C107 110.3(4) yes .
O3 C109 C110 104.5(6) yes .
C109 C110 C111 105.9(6) yes .
C110 C111 C112 99.6(6) yes .
O3 C112 C111 107.4(6) yes .
C113 C113 C127 122.0(16) yes 3_576
O6 C114 C116 102.3(14) yes .
C114 C116 C121 108.4(12) yes .
O5 C117 C118 105.2(10) yes .
C117 C118 C119 103.5(9) yes .
C118 C119 C120 102.1(8) yes .
O5 C120 C119 93.7(8) yes .
C116 C121 C122 101.9(12) yes .
O6 C122 C121 102.8(12) yes .
O4 C123 C124 100.7(18) yes .
C123 C124 C125 104(2) yes .
C124 C125 C126 102(2) yes .
O4 C126 C125 110.1(19) yes .
C113 C127 C132 117(2) yes .
O7 C128 C129 108.6(14) yes .
C128 C129 C130 107.1(17) yes .
C129 C130 C131 92.7(15) yes .
O7 C131 C130 113.8(16) yes .
C2 C3 H3 118.882 no .
C4 C3 H3 118.912 no .
C3 C4 H4 119.610 no .
C5 C4 H4 119.615 no .
C5 C6 H6 119.600 no .
C7 C6 H6 119.593 no .
C6 C7 H7 119.650 no .
C8 C7 H7 119.650 no .
C7 C8 H8 120.108 no .
C9 C8 H8 120.095 no .
C8 C9 H9 119.664 no .
C10 C9 H9 119.659 no .
C12 C13 H13 119.000 no .
C14 C13 H13 119.004 no .
C13 C14 H14 119.663 no .
C15 C14 H14 119.660 no .
C15 C16 H16 119.254 no .
C17 C16 H16 119.270 no .
C16 C17 H17 120.184 no .
C18 C17 H17 120.200 no .
C17 C18 H18 119.804 no .
C19 C18 H18 119.813 no .
C18 C19 H19 119.221 no .
C20 C19 H19 119.227 no .
C21 C22 H22 120.163 no .
C23 C22 H22 120.146 no .
C22 C23 H23 119.582 no .
C24 C23 H23 119.587 no .
C23 C24 H24 120.272 no .
C25 C24 H24 120.270 no .
C24 C25 H25 119.663 no .
C26 C25 H25 119.661 no .
C21 C26 H26 119.799 no .
C25 C26 H26 119.792 no .
C27 C28 H28 120.018 no .
C29 C28 H28 120.013 no .
C28 C29 H29 119.803 no .
C30 C29 H29 119.786 no .
C29 C30 H30 120.309 no .
C31 C30 H30 120.302 no .
C30 C31 H31 119.450 no .
C32 C31 H31 119.441 no .
C27 C32 H32 120.295 no .
C31 C32 H32 120.291 no .
C33 C34 H34 119.747 no .
C35 C34 H34 119.760 no .
C34 C35 H35 120.175 no .
C36 C35 H35 120.189 no .
C35 C36 H36 120.177 no .
C37 C36 H36 120.188 no .
C36 C37 H37 119.327 no .
C38 C37 H37 119.334 no .
C33 C38 H38 120.472 no .
C37 C38 H38 120.489 no .
C39 C40 H40 119.382 no .
C41 C40 H40 119.376 no .
C40 C41 H41 120.172 no .
C42 C41 H41 120.209 no .
C41 C42 H42 119.877 no .
C43 C42 H42 119.891 no .
C42 C43 H43 119.741 no .
C44 C43 H43 119.725 no .
C39 C44 H44 120.517 no .
C43 C44 H44 120.543 no .
C46 C47 H47 121.226 no .
C48 C47 H47 121.238 no .
C47 C48 H48 120.158 no .
C49 C48 H48 120.153 no .
N1 C49 H49 118.193 no .
C48 C49 H49 118.200 no .
N2 C50 H50A 110.729 no .
N2 C50 H50B 110.739 no .
C51 C50 H50A 110.720 no .
C51 C50 H50B 110.719 no .
H50A C50 H50B 108.826 no .
C46 C51 H51A 110.936 no .
C46 C51 H51B 110.921 no .
C50 C51 H51A 110.928 no .
C50 C51 H51B 110.927 no .
H51A C51 H51B 108.946 no .
C52 C53 H53A 108.857 no .
C52 C53 H53B 108.849 no .
C54 C53 H53A 108.849 no .
C54 C53 H53B 108.835 no .
H53A C53 H53B 107.705 no .
C56 C57 H57 119.564 no .
C58 C57 H57 119.573 no .
C57 C58 H58 119.224 no .
C59 C58 H58 119.239 no .
C59 C60 H60 120.084 no .
C61 C60 H60 120.069 no .
C60 C61 H61 119.700 no .
C62 C61 H61 119.714 no .
C61 C62 H62 119.425 no .
C63 C62 H62 119.433 no .
C62 C63 H63 119.669 no .
C64 C63 H63 119.690 no .
C66 C67 H67 119.398 no .
C68 C67 H67 119.379 no .
C67 C68 H68 119.321 no .
C69 C68 H68 119.330 no .
C69 C70 H70 119.670 no .
C71 C70 H70 119.676 no .
C70 C71 H71 119.709 no .
C72 C71 H71 119.695 no .
C71 C72 H72 119.812 no .
C73 C72 H72 119.784 no .
C72 C73 H73 119.828 no .
C74 C73 H73 119.812 no .
C75 C76 H76 119.706 no .
C77 C76 H76 119.704 no .
C76 C77 H77 119.779 no .
C78 C77 H77 119.774 no .
C77 C78 H78 119.662 no .
C79 C78 H78 119.643 no .
C78 C79 H79 120.246 no .
C80 C79 H79 120.217 no .
C75 C80 H80 119.747 no .
C79 C80 H80 119.777 no .
C81 C82 H82 119.830 no .
C83 C82 H82 119.810 no .
C82 C83 H83 119.910 no .
C84 C83 H83 119.892 no .
C83 C84 H84 119.902 no .
C85 C84 H84 119.891 no .
C84 C85 H85 120.127 no .
C86 C85 H85 120.131 no .
C81 C86 H86 119.869 no .
C85 C86 H86 119.892 no .
C87 C88 H88 119.619 no .
C89 C88 H88 119.642 no .
C88 C89 H89 120.372 no .
C90 C89 H89 120.377 no .
C89 C90 H90 119.874 no .
C91 C90 H90 119.879 no .
C90 C91 H91 119.884 no .
C92 C91 H91 119.882 no .
C87 C92 H92 119.726 no .
C91 C92 H92 119.725 no .
C93 C94 H94 119.353 no .
C95 C94 H94 119.379 no .
C94 C95 H95 119.552 no .
C96 C95 H95 119.548 no .
C95 C96 H96 120.597 no .
C97 C96 H96 120.623 no .
C96 C97 H97 119.810 no .
C98 C97 H97 119.822 no .
C93 C98 H98 119.404 no .
C97 C98 H98 119.389 no .
C100 C101 H101 121.336 no .
C102 C101 H101 121.333 no .
C101 C102 H102 120.296 no .
C103 C102 H102 120.292 no .
N3 C103 H103 117.696 no .
C102 C103 H103 117.685 no .
C100 C104 H10A 110.992 no .
C100 C104 H10B 111.000 no .
C105 C104 H10A 110.984 no .
C105 C104 H10B 110.990 no .
H10A C104 H10B 108.991 no .
N4 C105 H10C 110.555 no .
N4 C105 H10D 110.541 no .
C104 C105 H10C 110.559 no .
C104 C105 H10D 110.558 no .
H10C C105 H10D 108.707 no .
C106 C107 H10E 108.887 no .
C106 C107 H10F 108.893 no .
C108 C107 H10E 108.877 no .
C108 C107 H10F 108.885 no .
H10E C107 H10F 107.738 no .
O3 C109 H10G 110.857 no .
O3 C109 H10H 110.851 no .
C110 C109 H10G 110.853 no .
C110 C109 H10H 110.870 no .
H10G C109 H10H 108.901 no .
C109 C110 H11A 110.568 no .
C109 C110 H11B 110.562 no .
C111 C110 H11A 110.562 no .
C111 C110 H11B 110.559 no .
H11A C110 H11B 108.708 no .
C110 C111 H11C 111.867 no .
C110 C111 H11D 111.876 no .
C112 C111 H11C 111.839 no .
C112 C111 H11D 111.856 no .
H11C C111 H11D 109.577 no .
O3 C112 H11E 110.248 no .
O3 C112 H11F 110.244 no .
C111 C112 H11E 110.236 no .
C111 C112 H11F 110.215 no .
H11E C112 H11F 108.528 no .
C113 C113 H11Q 106.830 no 3_576
C113 C113 H11R 106.811 no 3_576
C127 C113 H11Q 106.821 no .
C127 C113 H11R 106.822 no .
H11Q C113 H11R 106.668 no .
O6 C114 H11O 111.310 no .
O6 C114 H11P 111.323 no .
C116 C114 H11O 111.303 no .
C116 C114 H11P 111.310 no .
H11O C114 H11P 109.223 no .
C114 C116 H11K 110.013 no .
C114 C116 H11L 110.011 no .
C121 C116 H11K 109.998 no .
C121 C116 H11L 110.010 no .
H11K C116 H11L 108.382 no .
O5 C117 H11G 110.721 no .
O5 C117 H11H 110.715 no .
C118 C117 H11G 110.698 no .
C118 C117 H11H 110.703 no .
H11G C117 H11H 108.805 no .
C117 C118 H11M 111.062 no .
C117 C118 H11N 111.076 no .
C119 C118 H11M 111.043 no .
C119 C118 H11N 111.059 no .
H11M C118 H11N 109.030 no .
C118 C119 H11I 111.342 no .
C118 C119 H11J 111.339 no .
C120 C119 H11I 111.345 no .
C120 C119 H11J 111.353 no .
H11I C119 H11J 109.216 no .
O5 C120 H12I 112.990 no .
O5 C120 H12J 112.982 no .
C119 C120 H12I 112.981 no .
C119 C120 H12J 112.988 no .
H12I C120 H12J 110.390 no .
O6 C122 H12M 111.194 no .
O6 C122 H12N 111.196 no .
C121 C122 H12M 111.213 no .
C121 C122 H12N 111.206 no .
H12M C122 H12N 109.124 no .
O4 C123 H12A 111.623 no .
O4 C123 H12B 111.621 no .
C124 C123 H12A 111.631 no .
C124 C123 H12B 111.635 no .
H12A C123 H12B 109.428 no .
C123 C124 H12C 110.860 no .
C123 C124 H12D 110.857 no .
C125 C124 H12C 110.856 no .
C125 C124 H12D 110.865 no .
H12C C124 H12D 108.878 no .
C124 C125 H12E 111.390 no .
C124 C125 H12F 111.389 no .
C126 C125 H12E 111.417 no .
C126 C125 H12F 111.413 no .
H12E C125 H12F 109.266 no .
O4 C126 H12G 109.651 no .
O4 C126 H12H 109.645 no .
C125 C126 H12G 109.647 no .
C125 C126 H12H 109.653 no .
H12G C126 H12H 108.148 no .
C113 C127 H12Q 107.933 no .
C113 C127 H12R 107.907 no .
C132 C127 H12Q 107.933 no .
C132 C127 H12R 107.944 no .
H12Q C127 H12R 107.207 no .
O7 C128 H12O 109.959 no .
O7 C128 H12P 109.964 no .
C129 C128 H12O 109.960 no .
C129 C128 H12P 109.969 no .
H12O C128 H12P 108.339 no .
C128 C129 H12K 110.297 no .
C128 C129 H12L 110.290 no .
C130 C129 H12K 110.302 no .
C130 C129 H12L 110.301 no .
H12K C129 H12L 108.543 no .
C129 C130 H13A 113.174 no .
C129 C130 H13B 113.159 no .
C131 C130 H13A 113.159 no .
C131 C130 H13B 113.147 no .
H13A C130 H13B 110.519 no .
O7 C131 H13C 108.802 no .
O7 C131 H13D 108.794 no .
C130 C131 H13C 108.798 no .
C130 C131 H13D 108.794 no .
H13C C131 H13D 107.659 no .
C127 C132 H13E 109.462 no .
C127 C132 H13F 109.471 no .
C127 C132 H13G 109.472 no .
H13E C132 H13F 109.486 no .
H13E C132 H13G 109.468 no .
H13F C132 H13G 109.468 no .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Cu1 P1 2.2547(12) yes .
Cu1 P2 2.2281(11) yes .
Cu1 O1 2.086(3) yes .
Cu1 N1 2.019(4) yes .
Cu2 P3 2.2499(12) yes .
Cu2 P4 2.2707(12) yes .
Cu2 O2 2.096(3) yes .
Cu2 N3 2.038(4) yes .
P1 C2 1.846(4) yes .
P1 C21 1.817(4) yes .
P1 C27 1.834(4) yes .
P2 C12 1.823(4) yes .
P2 C33 1.826(4) yes .
P2 C39 1.831(4) yes .
P3 C56 1.830(4) yes .
P3 C75 1.809(4) yes .
P3 C81 1.817(4) yes .
P4 C66 1.838(4) yes .
P4 C87 1.822(4) yes .
P4 C93 1.828(5) yes .
P5 F7 1.558(5) yes .
P5 F8 1.563(4) yes .
P5 F9 1.605(4) yes .
P5 F10 1.573(3) yes .
P5 F11 1.579(4) yes .
P5 F12 1.553(4) yes .
P6 F13 1.643(4) yes .
P6 F14 1.545(5) yes .
P6 F15 1.552(5) yes .
P6 F16 1.514(5) yes .
P6 F17 1.561(4) yes .
P6 F18 1.569(4) yes .
F1 C54 1.351(6) yes .
F2 C54 1.329(6) yes .
F3 C54 1.326(6) yes .
F4 C108 1.344(7) yes .
F5 C108 1.325(6) yes .
F6 C108 1.350(6) yes .
O1 C52 1.235(5) yes .
O2 C106 1.230(5) yes .
O3 C109 1.398(11) yes .
O3 C112 1.468(9) yes .
O4 C123 1.41(3) yes .
O4 C126 1.33(3) yes .
O5 C117 1.461(14) yes .
O5 C120 1.470(14) yes .
O6 C114 1.43(2) yes .
O6 C122 1.44(2) yes .
O7 C128 1.35(2) yes .
O7 C131 1.44(2) yes .
N1 C45 1.328(5) yes .
N1 C49 1.369(6) yes .
N2 C45 1.410(5) yes .
N2 C50 1.492(6) yes .
N2 C52 1.340(6) yes .
N3 C99 1.337(5) yes .
N3 C103 1.357(6) yes .
N4 C99 1.421(5) yes .
N4 C105 1.501(6) yes .
N4 C106 1.336(6) yes .
C1 C2 1.383(5) yes .
C1 C10 1.447(6) yes .
C1 C11 1.495(6) yes .
C2 C3 1.420(6) yes .
C3 C4 1.353(6) yes .
C4 C5 1.404(6) yes .
C5 C6 1.410(7) yes .
C5 C10 1.417(6) yes .
C6 C7 1.370(7) yes .
C7 C8 1.390(7) yes .
C8 C9 1.392(6) yes .
C9 C10 1.407(6) yes .
C11 C12 1.386(5) yes .
C11 C20 1.436(5) yes .
C12 C13 1.423(6) yes .
C13 C14 1.367(6) yes .
C14 C15 1.402(6) yes .
C15 C16 1.412(6) yes .
C15 C20 1.429(6) yes .
C16 C17 1.371(6) yes .
C17 C18 1.409(7) yes .
C18 C19 1.369(6) yes .
C19 C20 1.419(6) yes .
C21 C22 1.388(6) yes .
C21 C26 1.388(6) yes .
C22 C23 1.397(6) yes .
C23 C24 1.363(7) yes .
C24 C25 1.377(8) yes .
C25 C26 1.379(7) yes .
C27 C28 1.379(6) yes .
C27 C32 1.396(6) yes .
C28 C29 1.386(6) yes .
C29 C30 1.392(6) yes .
C30 C31 1.361(6) yes .
C31 C32 1.390(6) yes .
C33 C34 1.388(6) yes .
C33 C38 1.390(6) yes .
C34 C35 1.387(6) yes .
C35 C36 1.392(7) yes .
C36 C37 1.370(7) yes .
C37 C38 1.393(7) yes .
C39 C40 1.370(6) yes .
C39 C44 1.405(5) yes .
C40 C41 1.384(6) yes .
C41 C42 1.382(6) yes .
C42 C43 1.367(6) yes .
C43 C44 1.403(6) yes .
C45 C46 1.391(7) yes .
C46 C47 1.371(7) yes .
C46 C51 1.488(6) yes .
C47 C48 1.397(7) yes .
C48 C49 1.368(7) yes .
C50 C51 1.547(8) yes .
C52 C53 1.527(6) yes .
C53 C54 1.493(8) yes .
C55 C56 1.388(6) yes .
C55 C64 1.436(6) yes .
C55 C65 1.496(6) yes .
C56 C57 1.426(6) yes .
C57 C58 1.359(6) yes .
C58 C59 1.410(7) yes .
C59 C60 1.426(7) yes .
C59 C64 1.425(7) yes .
C60 C61 1.370(8) yes .
C61 C62 1.387(8) yes .
C62 C63 1.380(6) yes .
C63 C64 1.417(6) yes .
C65 C66 1.394(6) yes .
C65 C74 1.441(6) yes .
C66 C67 1.421(7) yes .
C67 C68 1.360(7) yes .
C68 C69 1.416(7) yes .
C69 C70 1.420(7) yes .
C69 C74 1.414(7) yes .
C70 C71 1.351(7) yes .
C71 C72 1.409(8) yes .
C72 C73 1.368(7) yes .
C73 C74 1.417(6) yes .
C75 C76 1.398(6) yes .
C75 C80 1.406(6) yes .
C76 C77 1.390(6) yes .
C77 C78 1.361(6) yes .
C78 C79 1.387(7) yes .
C79 C80 1.394(6) yes .
C81 C82 1.399(6) yes .
C81 C86 1.389(6) yes .
C82 C83 1.374(7) yes .
C83 C84 1.386(7) yes .
C84 C85 1.384(7) yes .
C85 C86 1.392(7) yes .
C87 C88 1.380(7) yes .
C87 C92 1.383(7) yes .
C88 C89 1.410(7) yes .
C89 C90 1.380(7) yes .
C90 C91 1.372(8) yes .
C91 C92 1.396(7) yes .
C93 C94 1.379(7) yes .
C93 C98 1.401(7) yes .
C94 C95 1.375(9) yes .
C95 C96 1.378(9) yes .
C96 C97 1.381(8) yes .
C97 C98 1.375(7) yes .
C99 C100 1.379(6) yes .
C100 C101 1.366(6) yes .
C100 C104 1.503(6) yes .
C101 C102 1.396(6) yes .
C102 C103 1.362(7) yes .
C104 C105 1.521(7) yes .
C106 C107 1.509(6) yes .
C107 C108 1.486(7) yes .
C109 C110 1.490(11) yes .
C110 C111 1.537(10) yes .
C111 C112 1.536(11) yes .
C113 C113 1.49(2) yes 3_576
C113 C127 1.48(2) yes .
C114 C116 1.53(2) yes .
C116 C121 1.37(2) yes .
C117 C118 1.416(17) yes .
C118 C119 1.493(14) yes .
C119 C120 1.527(14) yes .
C121 C122 1.54(2) yes .
C123 C124 1.51(4) yes .
C124 C125 1.44(4) yes .
C125 C126 1.49(3) yes .
C127 C132 1.55(4) yes .
C128 C129 1.49(3) yes .
C129 C130 1.54(3) yes .
C130 C131 1.56(3) yes .
C3 H3 0.950 no .
C4 H4 0.950 no .
C6 H6 0.950 no .
C7 H7 0.950 no .
C8 H8 0.950 no .
C9 H9 0.950 no .
C13 H13 0.950 no .
C14 H14 0.950 no .
C16 H16 0.950 no .
C17 H17 0.950 no .
C18 H18 0.950 no .
C19 H19 0.950 no .
C22 H22 0.950 no .
C23 H23 0.950 no .
C24 H24 0.950 no .
C25 H25 0.950 no .
C26 H26 0.950 no .
C28 H28 0.950 no .
C29 H29 0.950 no .
C30 H30 0.950 no .
C31 H31 0.950 no .
C32 H32 0.950 no .
C34 H34 0.950 no .
C35 H35 0.950 no .
C36 H36 0.950 no .
C37 H37 0.950 no .
C38 H38 0.950 no .
C40 H40 0.950 no .
C41 H41 0.950 no .
C42 H42 0.950 no .
C43 H43 0.950 no .
C44 H44 0.950 no .
C47 H47 0.950 no .
C48 H48 0.950 no .
C49 H49 0.950 no .
C50 H50A 0.990 no .
C50 H50B 0.990 no .
C51 H51A 0.990 no .
C51 H51B 0.990 no .
C53 H53A 0.990 no .
C53 H53B 0.990 no .
C57 H57 0.950 no .
C58 H58 0.950 no .
C60 H60 0.950 no .
C61 H61 0.950 no .
C62 H62 0.950 no .
C63 H63 0.950 no .
C67 H67 0.950 no .
C68 H68 0.950 no .
C70 H70 0.950 no .
C71 H71 0.950 no .
C72 H72 0.950 no .
C73 H73 0.950 no .
C76 H76 0.950 no .
C77 H77 0.950 no .
C78 H78 0.950 no .
C79 H79 0.950 no .
C80 H80 0.950 no .
C82 H82 0.950 no .
C83 H83 0.950 no .
C84 H84 0.950 no .
C85 H85 0.950 no .
C86 H86 0.950 no .
C88 H88 0.950 no .
C89 H89 0.950 no .
C90 H90 0.950 no .
C91 H91 0.950 no .
C92 H92 0.950 no .
C94 H94 0.950 no .
C95 H95 0.950 no .
C96 H96 0.950 no .
C97 H97 0.950 no .
C98 H98 0.950 no .
C101 H101 0.950 no .
C102 H102 0.950 no .
C103 H103 0.950 no .
C104 H10A 0.990 no .
C104 H10B 0.990 no .
C105 H10C 0.990 no .
C105 H10D 0.990 no .
C107 H10E 0.990 no .
C107 H10F 0.990 no .
C109 H10G 0.990 no .
C109 H10H 0.990 no .
C110 H11A 0.990 no .
C110 H11B 0.990 no .
C111 H11C 0.990 no .
C111 H11D 0.990 no .
C112 H11E 0.990 no .
C112 H11F 0.990 no .
C113 H11Q 0.990 no .
C113 H11R 0.990 no .
C114 H11O 0.990 no .
C114 H11P 0.990 no .
C116 H11K 0.990 no .
C116 H11L 0.990 no .
C117 H11G 0.990 no .
C117 H11H 0.990 no .
C118 H11M 0.990 no .
C118 H11N 0.990 no .
C119 H11I 0.990 no .
C119 H11J 0.990 no .
C120 H12I 0.990 no .
C120 H12J 0.990 no .
C122 H12M 0.990 no .
C122 H12N 0.990 no .
C123 H12A 0.990 no .
C123 H12B 0.990 no .
C124 H12C 0.990 no .
C124 H12D 0.990 no .
C125 H12E 0.990 no .
C125 H12F 0.990 no .
C126 H12G 0.990 no .
C126 H12H 0.990 no .
C127 H12Q 0.990 no .
C127 H12R 0.990 no .
C128 H12O 0.990 no .
C128 H12P 0.990 no .
C129 H12K 0.990 no .
C129 H12L 0.990 no .
C130 H13A 0.990 no .
C130 H13B 0.990 no .
C131 H13C 0.990 no .
C131 H13D 0.990 no .
C132 H13E 0.980 no .
C132 H13F 0.980 no .
C132 H13G 0.980 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Cu1 N2 3.339(4) no .
Cu1 C38 3.506(5) no .
Cu2 N4 3.346(3) no .
Cu2 C86 3.574(5) no .
P1 C11 3.203(4) no .
P1 C12 3.476(4) no .
P2 C1 3.200(4) no .
P2 C2 3.525(4) no .
P3 C65 3.210(4) no .
P3 C66 3.520(4) no .
P4 C55 3.167(4) no .
P4 C56 3.487(4) no .
F2 O1 2.874(4) no .
F2 C31 3.425(5) no .
F2 C32 3.306(5) no .
F2 C52 2.960(6) no .
F3 O1 2.808(4) no .
F3 C52 2.965(6) no .
F4 O2 2.809(5) no .
F4 C97 3.579(6) no .
F4 C98 3.451(6) no .
F4 C106 2.972(6) no .
F5 O2 2.830(4) no .
F5 C106 2.909(5) no .
O1 C32 3.276(5) no .
O1 C38 3.499(6) no .
O1 C45 2.913(6) no .
O1 C54 2.755(6) no .
O2 C86 3.590(6) no .
O2 C98 3.250(6) no .
O2 C99 2.922(5) no .
O2 C108 2.742(6) no .
N1 C47 2.819(7) no .
N1 C52 2.986(6) no .
N2 C47 3.584(6) no .
N3 C101 2.821(6) no .
N3 C106 3.007(5) no .
N4 C101 3.583(6) no .
C1 C4 2.806(6) no .
C1 C19 2.911(6) no .
C1 C21 3.557(6) no .
C1 C22 3.572(6) no .
C1 C33 3.114(5) no .
C1 C34 3.447(5) no .
C2 C5 2.828(6) no .
C2 C12 3.301(5) no .
C2 C20 3.490(6) no .
C2 C22 3.216(6) no .
C2 C33 3.481(5) no .
C3 C10 2.788(6) no .
C3 C27 3.010(6) no .
C3 C32 3.475(6) no .
C5 C8 2.802(7) no .
C6 C9 2.782(7) no .
C7 C10 2.800(7) no .
C9 C11 2.884(6) no .
C9 C19 3.345(6) no .
C9 C20 3.289(6) no .
C9 C34 3.211(6) no .
C10 C12 3.497(6) no .
C10 C19 3.265(6) no .
C10 C20 3.236(6) no .
C10 C33 3.403(6) no .
C10 C34 3.194(5) no .
C11 C14 2.816(6) no .
C11 C21 3.422(5) no .
C11 C22 3.459(5) no .
C11 C33 3.445(5) no .
C12 C15 2.837(5) no .
C12 C34 3.468(6) no .
C12 C44 3.224(5) no .
C13 C20 2.789(6) no .
C13 C39 3.091(5) no .
C13 C44 3.123(5) no .
C15 C18 2.805(6) no .
C16 C19 2.779(6) no .
C17 C20 2.824(6) no .
C19 C22 3.188(6) no .
C20 C22 3.227(5) no .
C21 C24 2.784(7) no .
C21 C28 3.074(6) no .
C22 C25 2.757(7) no .
C23 C26 2.751(7) no .
C26 C27 3.520(6) no .
C26 C49 3.460(6) no .
C27 C30 2.780(6) no .
C28 C31 2.762(6) no .
C29 C32 2.763(6) no .
C33 C36 2.780(7) no .
C33 C44 3.546(6) no .
C34 C37 2.756(7) no .
C34 C39 3.394(6) no .
C34 C44 3.557(6) no .
C35 C38 2.783(7) no .
C39 C42 2.778(6) no .
C40 C43 2.755(6) no .
C41 C44 2.776(6) no .
C45 C48 2.692(7) no .
C46 C49 2.708(6) no .
C46 C52 3.598(7) no .
C50 C53 2.803(8) no .
C55 C58 2.806(6) no .
C55 C73 2.881(6) no .
C55 C81 3.424(6) no .
C55 C87 3.332(6) no .
C56 C59 2.828(6) no .
C56 C66 3.320(6) no .
C56 C74 3.487(6) no .
C56 C80 3.253(6) no .
C56 C82 3.478(6) no .
C57 C64 2.807(6) no .
C57 C75 3.133(6) no .
C57 C80 3.171(6) no .
C59 C62 2.786(7) no .
C60 C63 2.798(7) no .
C61 C64 2.819(7) no .
C62 C91 3.558(7) no .
C63 C65 2.900(6) no .
C63 C73 3.397(6) no .
C63 C74 3.288(6) no .
C63 C91 3.440(6) no .
C63 C92 3.231(6) no .
C64 C66 3.492(6) no .
C64 C73 3.308(6) no .
C64 C74 3.243(6) no .
C64 C87 3.504(6) no .
C64 C92 3.436(6) no .
C65 C68 2.808(7) no .
C65 C81 3.087(6) no .
C65 C82 3.461(6) no .
C65 C87 3.444(6) no .
C65 C92 3.583(6) no .
C66 C69 2.833(6) no .
C66 C81 3.416(5) no .
C66 C86 3.472(6) no .
C66 C92 3.155(6) no .
C66 C98 3.577(7) no .
C67 C74 2.803(6) no .
C67 C93 3.001(7) no .
C67 C98 3.396(7) no .
C69 C72 2.792(7) no .
C70 C73 2.789(7) no .
C71 C74 2.797(7) no .
C73 C82 3.198(6) no .
C73 C83 3.584(7) no .
C74 C81 3.361(6) no .
C74 C82 3.188(6) no .
C74 C83 3.578(6) no .
C75 C78 2.791(6) no .
C75 C82 3.323(6) no .
C76 C79 2.774(6) no .
C76 C81 3.589(6) no .
C77 C80 2.770(6) no .
C80 C81 3.570(6) no .
C80 C82 3.552(6) no .
C81 C84 2.778(7) no .
C82 C85 2.773(7) no .
C83 C86 2.772(7) no .
C87 C90 2.790(7) no .
C87 C94 3.147(7) no .
C88 C91 2.760(7) no .
C89 C92 2.770(7) no .
C92 C93 3.567(7) no .
C92 C94 3.445(7) no .
C93 C96 2.799(8) no .
C94 C97 2.750(8) no .
C95 C98 2.740(9) no .
C99 C102 2.678(6) no .
C100 C103 2.693(6) no .
C100 C106 3.598(6) no .
C105 C107 2.804(7) no .
C113 C132 3.13(4) no 3_576
F1 C43 3.458(5) no 2_645
F1 C109 3.539(8) no 4_564
F1 C110 3.317(8) no 4_564
F2 C121 3.419(16) no 4_564
F2 C122 3.541(16) no 4_564
F2 C127 3.25(3) no 4_564
F2 C129 3.47(2) no 4_564
F3 F13 3.501(6) no 2_655
F3 F18 3.345(5) no 2_655
F4 C124 3.24(3) no 3_686
F4 C125 3.03(2) no 3_686
F5 F9 3.387(5) no 1_565
F5 C25 3.525(6) no 2_555
F6 F9 3.490(5) no 1_565
F6 C79 3.451(5) no 2_555
F6 C124 3.24(3) no 3_686
F6 C125 3.50(2) no 3_686
F7 C47 3.181(7) no 2_545
F7 C48 3.316(7) no 2_545
F7 C77 3.584(6) no 1_545
F7 C118 3.546(11) no 4_464
F8 C50 3.434(6) no .
F8 C53 3.335(6) no .
F8 C105 3.486(6) no 1_545
F9 F5 3.387(5) no 1_545
F9 F6 3.490(5) no 1_545
F9 C50 3.027(6) no .
F9 C51 3.501(6) no .
F9 C107 3.231(6) no 1_545
F9 C108 3.539(7) no 1_545
F10 C16 3.437(5) no 1_545
F10 C17 3.358(6) no 1_545
F10 C132 3.53(4) no 4_564
F11 N4 3.287(5) no 1_545
F11 C76 3.324(5) no 1_545
F11 C77 3.449(6) no 1_545
F11 C105 3.409(6) no 1_545
F11 C106 3.378(6) no 1_545
F11 C107 3.498(6) no 1_545
F12 C72 3.248(6) no 2_545
F12 C73 3.466(6) no 2_545
F12 C82 3.224(6) no 2_545
F12 C83 3.398(6) no 2_545
F13 F3 3.501(6) no 2_645
F13 C44 3.451(6) no 1_545
F13 C53 3.437(7) no 2_645
F13 C104 3.541(6) no 2_635
F13 C105 3.185(6) no 2_635
F14 C41 3.321(6) no 2_645
F14 C123 2.77(3) no 4_564
F14 C124 3.41(3) no 4_564
F15 C8 3.597(7) no 1_545
F15 C9 3.494(6) no 1_545
F15 C101 3.397(7) no 1_545
F15 C102 3.545(7) no 1_545
F16 N2 3.281(6) no 2_645
F16 C50 3.069(6) no 2_645
F16 C52 3.502(7) no 2_645
F16 C53 3.385(7) no 2_645
F17 C8 3.206(6) no 1_545
F17 C34 3.317(6) no 1_545
F17 C35 3.155(6) no 1_545
F17 C123 3.28(3) no 4_564
F17 C124 3.02(3) no 4_564
F18 F3 3.345(5) no 2_645
F18 O1 3.495(5) no 2_645
F18 C40 3.171(5) no 2_645
F18 C41 3.533(5) no 2_645
F18 C52 3.273(6) no 2_645
F18 C53 3.449(6) no 2_645
F18 C101 3.498(7) no 1_545
O1 F18 3.495(5) no 2_655
O3 C70 3.455(8) no .
O4 C7 3.253(19) no 4_475
O4 C8 3.468(19) no 4_475
O4 C61 3.222(19) no 3_676
O4 C67 3.491(19) no .
O4 C68 3.415(18) no .
O7 C23 3.308(13) no 2_545
O7 C94 3.402(14) no 3_676
O7 C95 3.400(14) no 3_676
N2 F16 3.281(6) no 2_655
N2 C83 3.599(6) no 2_545
N4 F11 3.287(5) no 1_565
N4 C35 3.396(5) no 2_655
N4 C36 3.562(5) no 2_655
C4 C22 3.508(6) no 3_675
C7 O4 3.253(19) no 4_574
C8 F15 3.597(7) no 1_565
C8 F17 3.206(6) no 1_565
C8 O4 3.468(19) no 4_574
C9 F15 3.494(6) no 1_565
C16 F10 3.437(5) no 1_565
C16 C77 3.548(6) no .
C17 F10 3.358(6) no 1_565
C17 C110 3.547(9) no 4_574
C22 C4 3.508(6) no 3_675
C23 O7 3.308(13) no 2_555
C23 C116 3.526(14) no 2_555
C25 F5 3.525(6) no 2_545
C31 C122 3.516(16) no 4_564
C34 F17 3.317(6) no 1_565
C35 F17 3.155(6) no 1_565
C35 N4 3.396(5) no 2_645
C35 C105 3.596(6) no 2_645
C36 N4 3.562(5) no 2_645
C36 C99 3.504(6) no 2_645
C40 F18 3.171(5) no 2_655
C41 F14 3.321(6) no 2_655
C41 F18 3.533(5) no 2_655
C43 F1 3.458(5) no 2_655
C44 F13 3.451(6) no 1_565
C47 F7 3.181(7) no 2_555
C48 F7 3.316(7) no 2_555
C50 F8 3.434(6) no .
C50 F9 3.027(6) no .
C50 F16 3.069(6) no 2_655
C50 C83 3.493(7) no 2_545
C51 F9 3.501(6) no .
C51 C79 3.549(7) no 2_545
C52 F16 3.502(7) no 2_655
C52 F18 3.273(6) no 2_655
C53 F8 3.335(6) no .
C53 F13 3.437(7) no 2_655
C53 F16 3.385(7) no 2_655
C53 F18 3.449(6) no 2_655
C60 C123 3.53(3) no 3_676
C61 O4 3.222(19) no 3_676
C61 C123 3.24(2) no 3_676
C67 O4 3.491(19) no .
C67 C126 3.47(2) no .
C68 O4 3.415(18) no .
C70 O3 3.455(8) no .
C72 F12 3.248(6) no 2_555
C73 F12 3.466(6) no 2_555
C76 F11 3.324(5) no 1_565
C77 F7 3.584(6) no 1_565
C77 F11 3.449(6) no 1_565
C77 C16 3.548(6) no .
C79 F6 3.451(5) no 2_545
C79 C51 3.549(7) no 2_555
C82 F12 3.224(6) no 2_555
C83 F12 3.398(6) no 2_555
C83 N2 3.599(6) no 2_555
C83 C50 3.493(7) no 2_555
C94 O7 3.402(14) no 3_676
C94 C126 3.51(2) no .
C94 C128 3.41(2) no 3_676
C95 O7 3.400(14) no 3_676
C95 C125 3.39(3) no .
C95 C126 3.25(3) no .
C96 C125 3.35(3) no .
C96 C126 3.29(3) no .
C99 C36 3.504(6) no 2_655
C101 F15 3.397(7) no 1_565
C101 F18 3.498(7) no 1_565
C102 F15 3.545(7) no 1_565
C104 F13 3.541(6) no 2_665
C105 F8 3.486(6) no 1_565
C105 F11 3.409(6) no 1_565
C105 F13 3.185(6) no 2_665
C105 C35 3.596(6) no 2_655
C106 F11 3.378(6) no 1_565
C107 F9 3.231(6) no 1_565
C107 F11 3.498(6) no 1_565
C108 F9 3.539(7) no 1_565
C108 C124 3.60(3) no 3_686
C109 F1 3.539(8) no 4_465
C110 F1 3.317(8) no 4_465
C110 C17 3.547(9) no 4_475
C116 C23 3.526(14) no 2_545
C118 F7 3.546(11) no 4_565
C121 F2 3.419(16) no 4_465
C122 F2 3.541(16) no 4_465
C122 C31 3.516(16) no 4_465
C123 F14 2.77(3) no 4_465
C123 F17 3.28(3) no 4_465
C123 C60 3.53(3) no 3_676
C123 C61 3.24(2) no 3_676
C124 F4 3.24(3) no 3_686
C124 F6 3.24(3) no 3_686
C124 F14 3.41(3) no 4_465
C124 F17 3.02(3) no 4_465
C124 C108 3.60(3) no 3_686
C125 F4 3.03(2) no 3_686
C125 F6 3.50(2) no 3_686
C125 C95 3.39(3) no .
C125 C96 3.35(3) no .
C126 C67 3.47(2) no .
C126 C94 3.51(2) no .
C126 C95 3.25(3) no .
C126 C96 3.29(3) no .
C127 F2 3.25(3) no 4_465
C128 C94 3.41(2) no 3_676
C129 F2 3.47(2) no 4_465
C132 F10 3.53(4) no 4_465
Cu1 H26 3.2305 no .
Cu1 H32 3.0994 no .
Cu1 H38 2.9332 no .
Cu1 H40 3.3223 no .
Cu1 H49 2.9591 no .
Cu2 H76 3.4071 no .
Cu2 H86 3.0047 no .
Cu2 H88 3.1839 no .
Cu2 H98 3.1370 no .
Cu2 H103 2.9812 no .
P1 H3 2.8659 no .
P1 H22 2.9620 no .
P1 H26 2.8023 no .
P1 H28 2.9416 no .
P1 H32 2.8339 no .
P2 H13 2.8195 no .
P2 H34 2.9581 no .
P2 H38 2.8014 no .
P2 H40 2.8055 no .
P2 H44 2.9675 no .
P3 H57 2.8310 no .
P3 H76 2.8003 no .
P3 H80 2.9846 no .
P3 H82 2.9506 no .
P3 H86 2.8133 no .
P4 H67 2.8942 no .
P4 H88 2.8290 no .
P4 H92 2.9229 no .
P4 H94 2.9554 no .
P4 H98 2.8424 no .
F1 H53A 2.5192 no .
F1 H53B 2.5211 no .
F2 H31 2.8539 no .
F2 H32 2.6169 no .
F2 H53A 3.1750 no .
F2 H53B 2.5655 no .
F3 H37 3.5896 no .
F3 H38 3.0103 no .
F3 H53A 2.6079 no .
F3 H53B 3.1889 no .
F4 H10E 2.5619 no .
F4 H10F 3.1863 no .
F4 H86 3.4468 no .
F4 H97 3.0143 no .
F4 H98 2.7423 no .
F5 H10E 3.1814 no .
F5 H10F 2.6234 no .
F5 H86 3.0012 no .
F6 H10E 2.5523 no .
F6 H10F 2.5160 no .
O1 H32 2.4553 no .
O1 H38 2.5972 no .
O1 H40 3.4617 no .
O1 H53A 3.0032 no .
O1 H53B 3.0385 no .
O2 H10E 2.9530 no .
O2 H10F 3.0518 no .
O2 H76 3.3961 no .
O2 H86 2.7095 no .
O2 H98 2.4819 no .
O3 H11A 2.6895 no .
O3 H11B 3.1226 no .
O3 H11C 2.9504 no .
O3 H11D 3.1922 no .
O4 H12C 2.6264 no .
O4 H12D 3.1040 no .
O4 H12E 2.9612 no .
O4 H12F 2.9863 no .
O5 H11I 2.4477 no .
O5 H11J 3.0941 no .
O5 H11M 3.0568 no .
O5 H11N 2.8406 no .
O6 H11K 2.8096 no .
O6 H11L 3.1054 no .
O7 H12K 3.1312 no .
O7 H12L 2.7300 no .
O7 H13A 3.2994 no .
O7 H13B 3.0098 no .
N1 H26 2.9337 no .
N1 H40 3.5220 no .
N1 H48 3.2595 no .
N2 H51A 3.0785 no .
N2 H51B 3.0790 no .
N2 H53A 2.6672 no .
N2 H53B 2.6262 no .
N3 H88 3.1127 no .
N3 H102 3.2523 no .
N4 H10A 3.1289 no .
N4 H10B 3.0226 no .
N4 H10E 2.6964 no .
N4 H10F 2.5743 no .
C1 H3 3.2630 no .
C1 H9 2.6726 no .
C1 H19 2.5622 no .
C1 H22 3.0620 no .
C1 H34 3.5557 no .
C2 H4 3.2804 no .
C2 H19 3.3111 no .
C2 H22 2.7752 no .
C3 H32 3.5543 no .
C4 H6 2.6444 no .
C5 H3 3.2489 no .
C5 H7 3.2735 no .
C5 H9 3.2910 no .
C5 H19 3.5895 no .
C6 H4 2.6423 no .
C6 H8 3.2529 no .
C7 H9 3.2622 no .
C7 H35 3.4813 no .
C8 H6 3.2529 no .
C8 H34 3.5313 no .
C8 H35 3.3806 no .
C9 H7 3.2622 no .
C9 H19 3.0043 no .
C9 H34 2.9457 no .
C10 H4 3.2908 no .
C10 H6 3.2945 no .
C10 H8 3.2883 no .
C10 H19 2.7041 no .
C10 H34 3.2857 no .
C11 H9 2.5293 no .
C11 H13 3.2697 no .
C11 H19 2.6803 no .
C11 H22 3.2303 no .
C11 H34 3.5318 no .
C12 H9 3.2439 no .
C12 H14 3.2937 no .
C12 H34 3.1891 no .
C12 H44 2.8793 no .
C13 H44 2.8163 no .
C13 H49 3.2583 no .
C14 H16 2.6457 no .
C15 H13 3.2582 no .
C15 H17 3.2847 no .
C15 H19 3.2985 no .
C16 H14 2.6484 no .
C16 H18 3.2575 no .
C17 H19 3.2645 no .
C18 H16 3.2600 no .
C18 H22 3.4058 no .
C18 H23 3.3201 no .
C19 H9 3.0387 no .
C19 H17 3.2652 no .
C19 H22 2.6745 no .
C19 H23 3.5101 no .
C20 H9 2.7528 no .
C20 H14 3.2972 no .
C20 H16 3.3059 no .
C20 H18 3.2875 no .
C20 H22 3.0053 no .
C21 H23 3.2635 no .
C21 H25 3.2559 no .
C21 H28 2.6362 no .
C22 H19 3.2554 no .
C22 H24 3.2599 no .
C22 H26 3.2502 no .
C22 H28 2.8961 no .
C23 H25 3.2229 no .
C24 H22 3.2540 no .
C24 H26 3.2489 no .
C25 H23 3.2246 no .
C26 H22 3.2520 no .
C26 H24 3.2522 no .
C26 H28 3.2516 no .
C26 H49 3.1702 no .
C27 H3 2.4693 no .
C27 H26 3.4761 no .
C27 H29 3.2505 no .
C27 H31 3.2619 no .
C28 H3 3.0836 no .
C28 H30 3.2685 no .
C28 H32 3.2582 no .
C29 H31 3.2353 no .
C30 H28 3.2677 no .
C30 H32 3.2494 no .
C31 H3 3.5613 no .
C31 H29 3.2329 no .
C32 H3 2.7941 no .
C32 H28 3.2593 no .
C32 H30 3.2537 no .
C33 H35 3.2658 no .
C33 H37 3.2542 no .
C33 H44 3.5103 no .
C34 H9 3.3653 no .
C34 H36 3.2619 no .
C34 H38 3.2636 no .
C34 H44 3.2740 no .
C35 H37 3.2438 no .
C36 H34 3.2595 no .
C36 H38 3.2635 no .
C37 H35 3.2458 no .
C38 H34 3.2591 no .
C38 H36 3.2650 no .
C39 H13 2.6259 no .
C39 H34 3.2398 no .
C39 H41 3.2529 no .
C39 H43 3.2777 no .
C40 H13 3.5598 no .
C40 H42 3.2484 no .
C40 H44 3.2546 no .
C41 H43 3.2397 no .
C42 H40 3.2450 no .
C42 H44 3.2619 no .
C43 H13 3.5977 no .
C43 H41 3.2397 no .
C44 H13 2.6565 no .
C44 H34 3.0548 no .
C44 H40 3.2531 no .
C44 H42 3.2632 no .
C45 H47 3.2499 no .
C45 H49 3.1358 no .
C45 H50A 3.0342 no .
C45 H50B 3.0302 no .
C45 H51A 3.0290 no .
C45 H51B 3.0337 no .
C46 H48 3.2312 no .
C46 H50A 3.0609 no .
C46 H50B 3.0614 no .
C47 H49 3.2401 no .
C47 H51A 2.9039 no .
C47 H51B 2.8999 no .
C48 H26 3.4935 no .
C49 H26 2.7765 no .
C49 H47 3.2546 no .
C50 H53A 2.7631 no .
C50 H53B 2.6261 no .
C51 H47 2.8396 no .
C52 H32 3.1879 no .
C52 H50A 2.7671 no .
C52 H50B 2.7824 no .
C53 H50A 2.7141 no .
C53 H50B 2.8064 no .
C54 H32 3.5402 no .
C55 H57 3.2832 no .
C55 H63 2.6937 no .
C55 H73 2.5261 no .
C56 H58 3.2768 no .
C56 H73 3.1934 no .
C56 H80 2.8820 no .
C56 H82 3.2214 no .
C57 H80 2.7925 no .
C57 H103 3.2756 no .
C58 H60 2.6615 no .
C59 H57 3.2697 no .
C59 H61 3.2792 no .
C59 H63 3.2962 no .
C60 H58 2.6429 no .
C60 H62 3.2457 no .
C61 H63 3.2623 no .
C62 H60 3.2523 no .
C62 H91 3.3823 no .
C63 H61 3.2611 no .
C63 H73 3.1184 no .
C63 H91 3.5111 no .
C63 H92 3.1747 no .
C64 H58 3.2964 no .
C64 H60 3.3254 no .
C64 H62 3.2840 no .
C64 H73 2.7894 no .
C65 H63 2.5593 no .
C65 H67 3.2824 no .
C65 H73 2.6698 no .
C65 H92 3.2891 no .
C66 H63 3.3133 no .
C66 H68 3.2771 no .
C66 H86 3.4370 no .
C66 H92 2.7793 no .
C66 H98 3.5349 no .
C67 H86 3.5902 no .
C67 H92 3.3400 no .
C67 H98 3.4441 no .
C68 H70 2.6708 no .
C69 H63 3.5918 no .
C69 H67 3.2734 no .
C69 H71 3.2665 no .
C69 H73 3.2967 no .
C70 H68 2.6641 no .
C70 H72 3.2473 no .
C71 H73 3.2677 no .
C71 H83 3.4866 no .
C72 H70 3.2549 no .
C72 H82 3.5473 no .
C72 H83 3.4003 no .
C73 H63 3.0890 no .
C73 H71 3.2608 no .
C73 H82 2.9786 no .
C74 H63 2.7488 no .
C74 H68 3.2912 no .
C74 H70 3.3000 no .
C74 H72 3.2743 no .
C74 H82 3.3336 no .
C75 H57 2.6890 no .
C75 H77 3.2754 no .
C75 H79 3.2882 no .
C75 H82 3.1461 no .
C76 H78 3.2439 no .
C76 H80 3.2662 no .
C77 H79 3.2435 no .
C78 H76 3.2400 no .
C78 H80 3.2600 no .
C79 H77 3.2443 no .
C80 H57 2.7007 no .
C80 H76 3.2672 no .
C80 H78 3.2603 no .
C80 H82 3.0182 no .
C81 H80 3.5956 no .
C81 H83 3.2635 no .
C81 H85 3.2686 no .
C82 H73 3.3421 no .
C82 H80 3.3626 no .
C82 H84 3.2482 no .
C82 H86 3.2645 no .
C83 H85 3.2589 no .
C84 H82 3.2492 no .
C84 H86 3.2586 no .
C85 H83 3.2571 no .
C86 H82 3.2626 no .
C86 H84 3.2598 no .
C87 H89 3.2804 no .
C87 H91 3.2672 no .
C87 H94 2.6876 no .
C88 H90 3.2676 no .
C88 H92 3.2390 no .
C88 H94 3.5233 no .
C88 H103 3.0966 no .
C89 H91 3.2426 no .
C90 H88 3.2621 no .
C90 H92 3.2531 no .
C91 H63 3.5896 no .
C91 H89 3.2443 no .
C92 H63 3.1538 no .
C92 H88 3.2388 no .
C92 H90 3.2574 no .
C92 H94 2.7449 no .
C93 H67 2.4759 no .
C93 H92 3.4636 no .
C93 H95 3.2518 no .
C93 H97 3.2728 no .
C94 H67 3.1053 no .
C94 H92 3.3208 no .
C94 H96 3.2536 no .
C94 H98 3.2364 no .
C95 H97 3.2346 no .
C96 H94 3.2464 no .
C96 H98 3.2443 no .
C97 H67 3.4758 no .
C97 H95 3.2335 no .
C98 H67 2.7285 no .
C98 H94 3.2394 no .
C98 H96 3.2510 no .
C99 H10A 3.0643 no .
C99 H10B 2.9973 no .
C99 H10C 3.0778 no .
C99 H10D 2.9766 no .
C99 H101 3.2360 no .
C99 H103 3.1211 no .
C100 H10C 3.1009 no .
C100 H10D 2.9926 no .
C100 H102 3.2250 no .
C101 H10A 2.8960 no .
C101 H10B 2.9355 no .
C101 H103 3.2290 no .
C103 H88 2.7382 no .
C103 H101 3.2466 no .
C104 H101 2.8495 no .
C105 H10E 2.8063 no .
C105 H10F 2.5846 no .
C106 H10C 2.7317 no .
C106 H10D 2.8274 no .
C106 H76 3.5954 no .
C106 H98 3.4054 no .
C107 H10C 2.6729 no .
C107 H10D 2.8540 no .
C109 H11C 2.8370 no .
C109 H11D 3.2483 no .
C109 H11E 3.0013 no .
C109 H11F 3.0210 no .
C110 H11E 3.1369 no .
C110 H11F 2.8712 no .
C111 H10G 3.2613 no .
C111 H10H 2.8077 no .
C112 H10G 3.1409 no .
C112 H10H 2.8554 no .
C112 H11A 2.7547 no .
C112 H11B 3.1964 no .
C113 H12Q 2.9545 no 3_576
C113 H12R 3.3728 no 3_576
C113 H13E 3.4008 no .
C113 H13F 2.8150 no .
C113 H13F 2.8812 no 3_576
C113 H13G 2.8150 no .
C113 H13G 3.3108 no 3_576
C114 H12M 2.8629 no .
C114 H12N 3.1452 no .
C116 H12M 2.6626 no .
C116 H12N 3.1069 no .
C117 H11I 2.6293 no .
C117 H11J 3.1508 no .
C117 H12I 2.7553 no .
C117 H12J 3.2428 no .
C118 H12I 2.6293 no .
C118 H12J 3.2411 no .
C119 H11G 3.0610 no .
C119 H11H 2.8388 no .
C120 H11G 2.9340 no .
C120 H11H 3.1483 no .
C120 H11M 3.2267 no .
C120 H11N 2.6736 no .
C121 H11O 2.8616 no .
C121 H11P 3.1338 no .
C122 H11K 2.6357 no .
C122 H11L 3.1330 no .
C122 H11O 3.0374 no .
C122 H11P 3.0103 no .
C123 H12E 2.8155 no .
C123 H12F 3.1422 no .
C123 H12G 3.0068 no .
C123 H12H 2.7116 no .
C124 H12G 2.9294 no .
C124 H12H 2.9579 no .
C125 H12A 2.7120 no .
C125 H12B 3.1808 no .
C126 H12A 2.6127 no .
C126 H12B 3.0496 no .
C126 H12C 2.7582 no .
C126 H12D 3.0897 no .
C127 H11Q 2.7787 no 3_576
C127 H11R 2.7786 no 3_576
C128 H13A 3.0694 no .
C128 H13B 3.1277 no .
C128 H13C 2.9431 no .
C128 H13D 2.3604 no .
C129 H13C 3.0734 no .
C129 H13D 2.7134 no .
C130 H12O 2.8303 no .
C130 H12P 3.2703 no .
C131 H12K 2.9582 no .
C131 H12L 2.8911 no .
C131 H12O 2.3394 no .
C131 H12P 2.9668 no .
C132 H11Q 2.9301 no .
C132 H11Q 3.2757 no 3_576
C132 H11R 3.3864 no .
C132 H11R 2.8016 no 3_576
H3 H4 2.2816 no .
H3 H28 3.4667 no .
H3 H32 3.0303 no .
H4 H6 2.4750 no .
H6 H7 2.3097 no .
H7 H8 2.3364 no .
H8 H9 2.3386 no .
H9 H19 2.9789 no .
H9 H34 2.8644 no .
H10A H10C 2.7059 no .
H10A H10D 2.2270 no .
H10A H101 2.9346 no .
H10B H10C 2.2279 no .
H10B H10D 2.7814 no .
H10B H101 3.0046 no .
H10C H10E 2.3350 no .
H10C H10F 2.5729 no .
H10D H10E 3.0372 no .
H10D H10F 2.2991 no .
H10G H11A 2.2601 no .
H10G H11B 2.5252 no .
H10H H11A 2.8429 no .
H10H H11B 2.2628 no .
H10H H11C 2.8921 no .
H10H H11E 3.2474 no .
H11A H11C 2.8842 no .
H11A H11D 2.3072 no .
H11A H11F 2.9620 no .
H11B H11C 2.3173 no .
H11B H11D 2.5995 no .
H11C H11E 2.2712 no .
H11C H11F 2.8413 no .
H11D H11E 2.6684 no .
H11D H11F 2.2634 no .
H13 H14 2.2982 no .
H13 H44 2.6020 no .
H13 H49 3.0405 no .
H14 H16 2.4792 no .
H16 H17 2.3133 no .
H17 H18 2.3590 no .
H18 H19 2.3049 no .
H18 H23 3.4824 no .
H19 H22 2.5137 no .
H22 H23 2.3437 no .
H22 H28 3.0516 no .
H23 H24 2.3115 no .
H24 H25 2.3257 no .
H25 H26 2.3215 no .
H26 H49 2.7200 no .
H28 H29 2.3339 no .
H29 H30 2.3432 no .
H30 H31 2.3077 no .
H31 H32 2.3364 no .
H32 H38 3.0841 no .
H34 H35 2.3368 no .
H34 H44 2.5775 no .
H35 H36 2.3470 no .
H36 H37 2.3133 no .
H37 H38 2.3403 no .
H40 H41 2.3278 no .
H41 H42 2.3335 no .
H42 H43 2.3120 no .
H43 H44 2.3570 no .
H47 H48 2.3666 no .
H47 H51A 2.9566 no .
H47 H51B 2.9541 no .
H48 H49 2.2945 no .
H50A H51A 2.7684 no .
H50A H51B 2.2512 no .
H50A H53A 2.3302 no .
H50A H53B 2.6605 no .
H50B H51A 2.2511 no .
H50B H51B 2.7678 no .
H50B H53A 2.9501 no .
H50B H53B 2.2883 no .
H57 H58 2.2915 no .
H57 H80 2.5510 no .
H57 H103 3.0996 no .
H58 H60 2.4814 no .
H60 H61 2.3167 no .
H61 H62 2.3248 no .
H62 H63 2.3167 no .
H62 H91 3.3747 no .
H63 H73 3.0874 no .
H63 H91 3.5780 no .
H63 H92 2.8207 no .
H67 H68 2.2909 no .
H67 H92 3.5351 no .
H67 H94 3.5177 no .
H67 H98 2.9457 no .
H68 H70 2.5026 no .
H70 H71 2.2917 no .
H71 H72 2.3517 no .
H72 H73 2.3122 no .
H73 H82 2.8861 no .
H76 H77 2.3323 no .
H77 H78 2.3033 no .
H78 H79 2.3353 no .
H79 H80 2.3443 no .
H80 H82 2.6462 no .
H82 H83 2.3204 no .
H83 H84 2.3326 no .
H84 H85 2.3345 no .
H85 H86 2.3428 no .
H86 H98 2.8222 no .
H88 H89 2.3599 no .
H88 H103 2.3259 no .
H89 H90 2.3336 no .
H90 H91 2.3183 no .
H91 H92 2.3404 no .
H92 H94 2.7033 no .
H94 H95 2.3101 no .
H95 H96 2.3304 no .
H96 H97 2.3373 no .
H97 H98 2.3135 no .
H101 H102 2.3693 no .
H102 H103 2.2829 no .
H12A H12C 2.8734 no .
H12A H12D 2.3088 no .
H12A H12E 2.8645 no .
H12A H12G 3.5451 no .
H12A H12H 2.7759 no .
H12B H12C 2.3017 no .
H12B H12D 2.5458 no .
H12C H12E 2.7833 no .
H12C H12F 2.1841 no .
H12C H12G 3.1488 no .
H12D H12E 2.1877 no .
H12D H12F 2.5590 no .
H12E H12G 2.7223 no .
H12E H12H 2.1842 no .
H12F H12G 2.1831 no .
H12F H12H 2.7019 no .
H11G H11I 3.5577 no .
H11G H12I 3.0033 no .
H11G H11M 2.5791 no .
H11G H11N 2.1389 no .
H11H H11I 2.8662 no .
H11H H11M 2.1374 no .
H11H H11N 2.7339 no .
H11I H12I 2.9190 no .
H11I H12J 2.3891 no .
H11I H11M 2.3104 no .
H11I H11N 2.8682 no .
H11J H12I 2.4079 no .
H11J H12J 2.5333 no .
H11J H11M 2.5024 no .
H11J H11N 2.3077 no .
H12I H11M 3.5914 no .
H12I H11N 2.5790 no .
H11K H11O 2.8408 no .
H11K H11P 2.2566 no .
H11K H12M 2.6692 no .
H11K H12N 3.5726 no .
H11L H11O 2.2636 no .
H11L H11P 2.6308 no .
H11P H12M 3.2539 no .
H12K H12O 2.2402 no .
H12K H12P 2.5076 no .
H12K H13A 2.2721 no .
H12K H13B 2.7662 no .
H12K H13D 3.1745 no .
H12L H12O 2.8286 no .
H12L H12P 2.2427 no .
H12L H13A 2.8057 no .
H12L H13B 2.2684 no .
H12L H13C 3.5625 no .
H12L H13D 3.5485 no .
H12O H13A 3.1944 no .
H12O H13C 3.2848 no .
H12O H13D 2.2099 no .
H12P H13D 3.3186 no .
H13A H13C 2.6566 no .
H13A H13D 2.2932 no .
H13B H13C 2.3196 no .
H13B H13D 2.8792 no .
H11Q H11Q 2.7985 no 3_576
H11Q H11R 2.3043 no 3_576
H11Q H12Q 2.7769 no .
H11Q H12Q 2.8119 no 3_576
H11Q H12R 2.1726 no .
H11Q H13F 3.3178 no .
H11Q H13F 2.8335 no 3_576
H11Q H13G 2.8296 no .
H11R H11R 2.7986 no 3_576
H11R H12Q 2.1811 no .
H11R H12Q 3.2956 no 3_576
H11R H12R 2.3604 no .
H11R H12R 3.5627 no 3_576
H11R H13F 2.4502 no 3_576
H11R H13G 2.8008 no 3_576
H12Q H13E 2.3605 no .
H12Q H13F 2.3853 no .
H12Q H13G 2.8706 no .
H12R H13E 2.3607 no .
H12R H13F 2.8705 no .
H12R H13G 2.3853 no .
Cu2 H36 3.5664 no 2_655
P4 H36 3.5921 no 2_655
P5 H10D 3.4141 no 1_545
P5 H10F 3.3996 no 1_545
P5 H50B 3.3201 no .
P5 H77 3.4687 no 1_545
P5 H13E 3.5587 no 4_564
P6 H8 3.5911 no 1_545
P6 H10C 3.3076 no 2_635
P6 H34 3.5513 no 1_545
P6 H41 3.5402 no 2_645
P6 H53A 3.2948 no 2_645
P6 H12B 3.0771 no 4_564
F1 H10A 3.4084 no 1_545
F1 H10G 2.8826 no 4_564
F1 H11A 2.5952 no 4_564
F1 H11B 3.5201 no 4_564
F1 H42 3.3935 no 2_645
F1 H43 2.8289 no 2_645
F1 H89 2.9304 no 2_645
F1 H12Q 2.9570 no 4_564
F1 H13E 3.5288 no 4_564
F2 H89 3.4619 no 2_645
F2 H12K 2.7184 no 4_564
F2 H12L 3.3271 no 4_564
F2 H12N 3.0208 no 4_564
F2 H12Q 2.5390 no 4_564
F2 H12R 3.0509 no 4_564
F3 H43 2.8451 no 2_645
F3 H89 3.0582 no 2_645
F3 H102 3.2766 no 2_645
F4 H25 2.9933 no 2_555
F4 H12C 3.1423 no 3_686
F4 H12D 3.0543 no 3_686
F4 H12E 3.0942 no 3_686
F4 H12F 2.4613 no 3_686
F4 H12J 3.5210 no 3_686
F5 H25 2.5920 no 2_555
F5 H79 3.1159 no 2_555
F6 H25 2.8593 no 2_555
F6 H51B 2.9321 no 1_565
F6 H78 3.2285 no 2_555
F6 H79 2.9024 no 2_555
F6 H12C 3.5195 no 3_686
F6 H12D 2.4614 no 3_686
F6 H12E 3.1965 no 3_686
F6 H12F 3.5441 no 3_686
F6 H11I 3.3053 no 3_686
F6 H12J 2.9608 no 3_686
F7 H47 2.5061 no 2_545
F7 H48 2.7722 no 2_545
F7 H76 3.5799 no 1_545
F7 H77 2.8401 no 1_545
F7 H80 3.5929 no 2_545
F7 H11H 3.2481 no 4_464
F7 H11M 2.6363 no 4_464
F8 H10D 2.4970 no 1_545
F8 H10F 3.2693 no 1_545
F8 H50A 3.1824 no .
F8 H50B 2.7800 no .
F8 H53A 3.2452 no .
F8 H53B 2.5506 no .
F8 H13E 2.7398 no 4_564
F9 H10D 3.2987 no 1_545
F9 H10F 2.3369 no 1_545
F9 H50A 2.8033 no .
F9 H50B 2.5744 no .
F9 H51A 3.3408 no .
F9 H51B 3.5194 no .
F9 H79 3.4688 no 2_545
F10 H16 2.8371 no 1_545
F10 H17 2.6843 no 1_545
F10 H72 3.1710 no 2_545
F10 H77 2.8390 no 1_545
F10 H11H 2.7507 no 4_464
F10 H13C 3.4276 no 2_545
F10 H13E 2.8865 no 4_564
F10 H13G 3.3435 no 4_564
F11 H10D 2.7052 no 1_545
F11 H10F 2.8240 no 1_545
F11 H16 3.0735 no 1_545
F11 H76 2.6238 no 1_545
F11 H77 2.8843 no 1_545
F12 H50B 2.7329 no .
F12 H72 2.8483 no 2_545
F12 H73 3.2614 no 2_545
F12 H82 2.5018 no 2_545
F12 H83 2.8650 no 2_545
F12 H13E 3.4344 no 4_564
F13 H10B 3.1127 no 2_635
F13 H10C 2.3972 no 2_635
F13 H10D 3.4202 no 2_635
F13 H34 3.0041 no 1_545
F13 H43 3.3197 no 1_545
F13 H44 2.9490 no 1_545
F13 H53A 2.5414 no 2_645
F13 H102 3.1871 no 1_545
F14 H8 3.0024 no 1_545
F14 H40 3.3240 no 2_645
F14 H41 2.4852 no 2_645
F14 H60 3.0448 no 2_645
F14 H12A 3.0069 no 4_564
F14 H12B 1.9090 no 4_564
F14 H12C 3.4026 no 4_564
F14 H12D 3.4063 no 4_564
F14 H11J 3.5359 no 4_564
F15 H8 3.1112 no 1_545
F15 H9 2.9164 no 1_545
F15 H11D 3.0433 no 4_564
F15 H34 3.0348 no 1_545
F15 H41 3.3100 no 2_645
F15 H44 3.2702 no 1_545
F15 H101 2.7343 no 1_545
F15 H102 3.0168 no 1_545
F15 H12B 3.5303 no 4_564
F16 H10C 2.9424 no 2_635
F16 H10E 2.9811 no 2_635
F16 H10F 3.3887 no 2_635
F16 H50A 2.2594 no 2_645
F16 H51B 3.5481 no 2_645
F16 H53A 2.5514 no 2_645
F16 H12B 3.4899 no 4_564
F16 H12C 3.5429 no 4_564
F16 H12D 3.1528 no 4_564
F17 H8 2.8073 no 1_545
F17 H10C 2.7677 no 2_635
F17 H10E 2.7940 no 2_635
F17 H34 2.7812 no 1_545
F17 H35 2.4508 no 1_545
F17 H12B 2.6701 no 4_564
F17 H12C 2.4134 no 4_564
F17 H12D 3.1007 no 4_564
F18 H40 2.4121 no 2_645
F18 H41 3.1427 no 2_645
F18 H53A 2.9043 no 2_645
F18 H101 2.8099 no 1_545
F18 H102 3.3164 no 1_545
O2 H36 3.2846 no 2_655
O3 H30 2.7251 no 2_555
O3 H42 3.4500 no 3_676
O3 H70 2.7082 no .
O3 H71 3.4085 no .
O3 H90 2.7527 no 3_676
O4 H7 2.5088 no 4_475
O4 H8 2.9568 no 4_475
O4 H61 2.4173 no 3_676
O4 H67 2.9770 no .
O4 H68 2.8292 no .
O5 H24 2.7341 no 4_575
O5 H78 3.2986 no 4_575
O5 H95 3.0032 no .
O6 H17 3.2655 no 2_545
O6 H18 3.4142 no 2_545
O6 H71 3.5280 no .
O6 H72 3.1956 no .
O7 H4 3.4480 no 4_465
O7 H23 2.4107 no 2_545
O7 H24 3.5669 no 2_545
O7 H94 2.8245 no 3_676
O7 H95 2.8176 no 3_676
N2 H83 3.3448 no 2_545
N3 H36 3.5819 no 2_655
N4 H35 3.2773 no 2_655
N4 H36 3.5473 no 2_655
C3 H22 3.4118 no 3_675
C3 H11K 3.2730 no 4_564
C3 H12P 3.3901 no 4_564
C4 H22 3.2266 no 3_675
C4 H23 3.4222 no 3_675
C4 H28 3.1639 no 3_675
C4 H11K 3.1867 no 4_564
C4 H11L 3.1733 no 4_564
C4 H12P 3.1779 no 4_564
C5 H28 3.0370 no 3_675
C5 H29 3.2432 no 3_675
C6 H28 3.1337 no 3_675
C6 H29 3.1078 no 3_675
C6 H96 3.3852 no 2_645
C7 H29 2.9409 no 3_675
C7 H12C 3.3958 no 4_574
C7 H12G 3.4514 no 4_574
C8 H11E 3.0448 no 4_574
C8 H29 2.9367 no 3_675
C8 H12B 3.1528 no 4_574
C8 H12C 3.4579 no 4_574
C9 H11C 3.3303 no 4_574
C9 H11E 3.3701 no 4_574
C9 H29 3.0466 no 3_675
C10 H29 3.2047 no 3_675
C13 H57 3.3904 no .
C15 H11C 3.2653 no 4_574
C16 H11B 3.1406 no 4_574
C16 H11C 3.2642 no 4_574
C16 H77 3.2323 no .
C17 H10H 3.1077 no 4_574
C17 H11B 2.8712 no 4_574
C17 H11C 3.1204 no 4_574
C17 H11P 3.1266 no 2_555
C17 H13B 3.1498 no 2_555
C17 H13C 3.3553 no 2_555
C17 H13E 3.5710 no 4_574
C17 H13F 3.1148 no 4_574
C18 H10H 3.0301 no 4_574
C18 H11B 3.5242 no 4_574
C18 H11C 2.9374 no 4_574
C18 H30 3.5596 no 3_675
C18 H11K 3.1427 no 2_555
C18 H11P 3.3823 no 2_555
C18 H12M 3.2260 no 2_555
C18 H13B 3.1737 no 2_555
C18 H13F 3.4229 no 4_574
C19 H11C 2.9172 no 4_574
C19 H29 3.5934 no 3_675
C20 H11C 3.1141 no 4_574
C22 H4 2.9225 no 3_675
C22 H11K 3.5405 no 2_555
C23 H4 2.7542 no 3_675
C23 H95 3.4984 no 4_474
C23 H11K 2.9214 no 2_555
C23 H11L 3.4832 no 2_555
C23 H11P 3.2247 no 2_555
C24 H78 2.9235 no .
C24 H95 3.2038 no 4_474
C25 H78 3.1455 no .
C25 H79 3.2685 no .
C25 H85 3.3235 no 2_545
C26 H85 3.0248 no 2_545
C27 H84 2.8636 no 2_545
C28 H19 3.4605 no 3_675
C28 H84 3.0853 no 2_545
C29 H11E 3.4641 no 2_545
C29 H18 3.5533 no 3_675
C29 H19 2.9665 no 3_675
C29 H84 3.2545 no 2_545
C30 H11E 3.3891 no 2_545
C30 H18 3.0021 no 3_675
C30 H19 3.4021 no 3_675
C30 H70 3.0636 no 2_545
C30 H84 3.2039 no 2_545
C30 H12M 3.3915 no 4_564
C31 H18 3.3285 no 3_675
C31 H84 2.9845 no 2_545
C31 H12L 2.7998 no 4_564
C31 H12M 2.8159 no 4_564
C31 H11R 3.3261 no 4_564
C31 H12R 3.0447 no 4_564
C32 H84 2.7830 no 2_545
C32 H12L 3.1117 no 4_564
C33 H10B 3.3503 no 2_645
C34 H10B 2.9582 no 2_645
C34 H10C 3.3587 no 2_645
C35 H10B 3.4513 no 2_645
C35 H10C 3.1331 no 2_645
C35 H10E 3.5960 no 2_645
C37 H88 3.4967 no 2_645
C37 H12P 3.1899 no 4_564
C39 H10B 2.9523 no 2_645
C39 H58 3.4217 no .
C40 H10B 3.2894 no 2_645
C40 H58 3.0361 no .
C40 H101 3.1212 no 2_645
C41 H10B 3.4453 no 2_645
C41 H11A 3.5491 no 3_676
C41 H11D 3.0190 no 3_676
C41 H11F 3.3338 no 3_676
C41 H58 2.9485 no .
C41 H60 2.8889 no .
C41 H101 3.1015 no 2_645
C42 H10A 3.2817 no 2_645
C42 H10B 3.3157 no 2_645
C42 H11A 2.8503 no 3_676
C42 H11D 3.2852 no 3_676
C42 H11F 3.2788 no 3_676
C42 H58 3.2135 no .
C42 H60 3.3649 no .
C42 H89 3.2448 no .
C43 H10A 3.3379 no 2_645
C43 H10B 2.9503 no 2_645
C43 H11A 3.4868 no 3_676
C43 H58 3.5915 no .
C43 H89 3.2812 no .
C43 H102 3.0248 no .
C43 H103 3.3563 no .
C44 H10B 2.7311 no 2_645
C44 H102 2.9045 no .
C44 H103 3.5960 no .
C46 H11I 3.3087 no 3_676
C46 H11J 3.5908 no 3_676
C47 H11I 3.2350 no 3_676
C47 H11M 3.0631 no 3_676
C48 H79 3.1984 no .
C48 H80 3.3070 no .
C48 H11M 3.4576 no 3_676
C49 H79 3.5152 no .
C50 H83 3.1931 no 2_545
C51 H82 3.5862 no 2_545
C51 H11I 3.1595 no 3_676
C54 H43 3.4122 no 2_645
C54 H89 3.3934 no 2_645
C54 H12Q 3.2802 no 4_564
C57 H13 3.4175 no .
C58 H11N 3.5568 no 3_676
C59 H11N 2.8798 no 3_676
C60 H11F 3.5226 no 3_676
C60 H41 3.3150 no .
C60 H12A 2.8759 no 3_676
C60 H12B 3.4559 no 3_676
C60 H11J 3.3258 no 3_676
C60 H11N 2.9514 no 3_676
C61 H11F 3.5466 no 3_676
C61 H68 3.5878 no 3_676
C61 H12A 2.7241 no 3_676
C61 H12B 3.3849 no 3_676
C61 H12I 3.1436 no 3_676
C61 H11N 3.1946 no 3_676
C62 H63 3.1913 no 3_676
C62 H92 3.1714 no 3_676
C62 H11N 3.3446 no 3_676
C63 H62 3.4679 no 3_676
C63 H63 3.2704 no 3_676
C63 H92 3.5635 no 3_676
C63 H11N 3.2995 no 3_676
C64 H11N 3.0773 no 3_676
C65 H62 3.4333 no 3_676
C66 H62 3.2705 no 3_676
C67 H62 3.0366 no 3_676
C67 H12G 3.2724 no .
C67 H12H 3.1048 no .
C68 H61 3.1028 no 3_676
C68 H62 3.0142 no 3_676
C69 H62 3.2104 no 3_676
C69 H91 3.3882 no 3_676
C70 H30 3.2560 no 2_555
C70 H90 3.3769 no 3_676
C70 H91 3.1787 no 3_676
C71 H90 3.2392 no 3_676
C71 H91 2.9614 no 3_676
C71 H13A 3.0376 no .
C71 H11Q 3.1959 no 3_576
C71 H12R 3.1658 no 3_576
C71 H13G 3.1614 no 3_576
C72 H91 2.9659 no 3_676
C72 H11G 3.3633 no 3_676
C72 H13A 3.2614 no .
C72 H13D 3.5008 no .
C72 H13G 3.1637 no 3_576
C73 H91 3.1762 no 3_676
C73 H11G 3.4551 no 3_676
C74 H62 3.4172 no 3_676
C74 H91 3.3905 no 3_676
C75 H14 3.2505 no .
C75 H51A 3.0181 no 2_555
C76 H14 2.9656 no .
C76 H16 3.3806 no .
C76 H47 3.1431 no 2_555
C76 H51A 3.2934 no 2_555
C77 H14 3.1534 no .
C77 H16 2.8887 no .
C77 H47 2.8776 no 2_555
C77 H51A 3.3661 no 2_555
C77 H11I 3.4975 no 4_474
C78 H14 3.5362 no .
C78 H24 3.5968 no .
C78 H47 3.5944 no 2_555
C78 H51A 3.2084 no 2_555
C78 H51B 3.1754 no 2_555
C78 H11I 3.1838 no 4_474
C79 H25 3.5010 no .
C79 H48 3.0491 no .
C79 H49 3.4218 no .
C79 H51A 2.9253 no 2_555
C79 H51B 3.2490 no 2_555
C80 H48 3.0336 no .
C80 H51A 2.7994 no 2_555
C81 H51A 3.4087 no 2_555
C82 H50B 3.1464 no 2_555
C82 H51A 2.9035 no 2_555
C83 H50B 2.8521 no 2_555
C83 H51A 3.3759 no 2_555
C84 H26 3.5005 no 2_555
C85 H26 3.1502 no 2_555
C87 H12O 3.0541 no 3_676
C88 H37 3.2130 no 2_655
C88 H12O 3.0282 no 3_676
C89 H42 3.1252 no .
C89 H43 3.4507 no .
C89 H12K 3.0616 no 3_676
C89 H12N 3.5906 no 3_676
C89 H12O 3.2012 no 3_676
C90 H42 3.5297 no .
C90 H12K 3.2228 no 3_676
C90 H12N 3.3790 no 3_676
C90 H12O 3.3862 no 3_676
C90 H13A 3.1263 no 3_676
C90 H13D 3.4503 no 3_676
C91 H11O 3.5965 no 3_676
C91 H12O 3.3735 no 3_676
C91 H13A 3.4066 no 3_676
C91 H13D 2.9150 no 3_676
C92 H62 3.3979 no 3_676
C92 H11O 3.5526 no 3_676
C92 H12O 3.1983 no 3_676
C92 H13D 3.1786 no 3_676
C93 H36 2.8730 no 2_655
C93 H12G 3.5098 no .
C93 H12H 3.1845 no .
C94 H36 3.3246 no 2_655
C94 H12G 3.4947 no .
C94 H12H 2.7305 no .
C94 H11L 3.0650 no 3_676
C94 H11O 3.1291 no 3_676
C94 H12O 2.8381 no 3_676
C94 H12P 3.5265 no 3_676
C95 H6 3.3757 no 2_655
C95 H24 3.5226 no 4_575
C95 H12E 3.0254 no .
C95 H12F 3.4445 no .
C95 H12G 3.2269 no .
C95 H12H 2.7115 no .
C95 H11L 3.0402 no 3_676
C95 H11O 3.4462 no 3_676
C95 H12O 3.5232 no 3_676
C96 H6 2.9471 no 2_655
C96 H97 3.3599 no 3_686
C96 H12E 3.2898 no .
C96 H12F 3.0232 no .
C96 H12G 2.9210 no .
C96 H12H 3.1342 no .
C97 H36 3.2810 no 2_655
C97 H96 3.5202 no 3_686
C97 H97 3.5900 no 3_686
C97 H12F 3.0752 no 3_686
C97 H12G 2.9295 no .
C97 H12H 3.5366 no .
C98 H36 2.8194 no 2_655
C98 H12G 3.2333 no .
C98 H12H 3.5612 no .
C99 H36 3.5898 no 2_655
C101 H11D 3.3264 no 4_574
C102 H43 3.2683 no .
C102 H44 3.1246 no .
C103 H14 3.3829 no .
C103 H43 3.5288 no .
C104 H11A 3.3567 no 4_574
C105 H35 3.4320 no 2_655
C106 H35 3.3246 no 2_655
C106 H36 3.4554 no 2_655
C107 H35 3.5126 no 2_655
C107 H12C 3.3555 no 3_686
C107 H12D 3.2404 no 3_686
C108 H25 3.0347 no 2_555
C108 H12C 3.5250 no 3_686
C108 H12D 3.0608 no 3_686
C108 H12F 3.5002 no 3_686
C109 H30 3.2735 no 2_555
C109 H90 3.5201 no 3_676
C110 H10A 2.9344 no 4_475
C110 H17 3.5409 no 4_475
C110 H42 3.1536 no 3_676
C111 H9 3.3242 no 4_475
C111 H10A 3.5418 no 4_475
C111 H41 3.3212 no 3_676
C111 H42 3.3479 no 3_676
C112 H8 3.3561 no 4_475
C112 H30 3.1822 no 2_555
C112 H41 3.4491 no 3_676
C112 H42 3.2141 no 3_676
C112 H70 3.1821 no .
C113 H31 2.9895 no 4_465
C113 H71 3.0280 no 3_576
C114 H17 3.4745 no 2_545
C114 H18 3.5701 no 2_545
C114 H23 2.9083 no 2_545
C114 H94 3.1612 no 3_676
C114 H95 3.4574 no 3_676
C116 H3 3.3576 no 4_465
C116 H4 2.9801 no 4_465
C116 H18 3.3926 no 2_545
C116 H23 2.6035 no 2_545
C116 H94 3.3394 no 3_676
C116 H95 3.4216 no 3_676
C117 H72 3.5037 no 3_676
C117 H73 3.5690 no 3_676
C118 H47 3.4227 no 3_676
C118 H73 3.3695 no 3_676
C119 H47 3.4579 no 3_676
C119 H51B 3.1540 no 3_676
C120 H24 3.4994 no 4_575
C120 H95 3.5532 no .
C121 H3 3.4806 no 4_465
C121 H31 3.4205 no 4_465
C121 H32 3.4523 no 4_465
C121 H37 3.2627 no 4_465
C122 H18 3.1429 no 2_545
C122 H31 2.9655 no 4_465
C123 H7 3.3490 no 4_475
C123 H8 2.9665 no 4_475
C123 H60 3.2088 no 3_676
C123 H61 2.6456 no 3_676
C124 H7 3.4755 no 4_475
C124 H8 3.5730 no 4_475
C124 H10E 2.9825 no 3_686
C125 H7 3.5735 no 4_475
C125 H95 3.3750 no .
C125 H96 3.2778 no .
C125 H97 3.0975 no 3_686
C126 H7 2.9170 no 4_475
C126 H61 3.4148 no 3_676
C126 H67 2.6840 no .
C126 H68 3.5031 no .
C126 H95 3.5570 no .
C127 H31 2.8445 no 4_465
C127 H71 2.9712 no 3_576
C128 H4 3.5166 no 4_465
C128 H23 3.3759 no 2_545
C128 H37 3.2234 no 4_465
C128 H94 2.8170 no 3_676
C128 H95 3.4716 no 3_676
C129 H18 3.4433 no 2_545
C129 H31 3.2678 no 4_465
C130 H17 3.3122 no 2_545
C130 H18 3.3037 no 2_545
C130 H71 3.3727 no .
C130 H72 3.3375 no .
C131 H17 3.4139 no 2_545
C131 H23 3.4858 no 2_545
C131 H72 3.2694 no .
C131 H94 3.3208 no 3_676
C132 H17 2.8345 no 4_475
C132 H71 3.1801 no 3_576
C132 H72 3.3589 no 3_576
H3 C116 3.3576 no 4_564
H3 C121 3.4806 no 4_564
H3 H22 3.1439 no 3_675
H3 H11K 2.7167 no 4_564
H3 H11L 3.4600 no 4_564
H3 H12L 3.3492 no 4_564
H3 H12P 3.1472 no 4_564
H4 O7 3.4480 no 4_564
H4 C22 2.9225 no 3_675
H4 C23 2.7542 no 3_675
H4 C116 2.9801 no 4_564
H4 C128 3.5166 no 4_564
H4 H22 2.8023 no 3_675
H4 H23 2.5243 no 3_675
H4 H28 3.2126 no 3_675
H4 H95 3.5692 no 2_645
H4 H11K 2.5470 no 4_564
H4 H11L 2.5326 no 4_564
H4 H12P 2.7548 no 4_564
H6 C95 3.3757 no 2_645
H6 C96 2.9471 no 2_645
H6 H28 3.2021 no 3_675
H6 H95 3.3276 no 2_645
H6 H96 2.5822 no 2_645
H7 O4 2.5088 no 4_574
H7 C123 3.3490 no 4_574
H7 C124 3.4755 no 4_574
H7 C125 3.5735 no 4_574
H7 C126 2.9170 no 4_574
H7 H29 3.3929 no 3_675
H7 H68 3.2646 no 4_574
H7 H96 3.4482 no 2_645
H7 H12B 3.3844 no 4_574
H7 H12C 3.0478 no 4_574
H7 H12F 3.5569 no 4_574
H7 H12G 2.5116 no 4_574
H8 P6 3.5911 no 1_565
H8 F14 3.0024 no 1_565
H8 F15 3.1112 no 1_565
H8 F17 2.8073 no 1_565
H8 O4 2.9568 no 4_574
H8 C112 3.3561 no 4_574
H8 C123 2.9665 no 4_574
H8 C124 3.5730 no 4_574
H8 H11E 2.6895 no 4_574
H8 H11F 3.3463 no 4_574
H8 H29 3.4200 no 3_675
H8 H12B 2.3088 no 4_574
H8 H12C 3.1350 no 4_574
H9 F15 2.9164 no 1_565
H9 C111 3.3242 no 4_574
H9 H11C 2.6513 no 4_574
H9 H11D 3.3673 no 4_574
H9 H11E 3.2528 no 4_574
H9 H29 3.5565 no 3_675
H10A F1 3.4084 no 1_565
H10A C42 3.2817 no 2_655
H10A C43 3.3379 no 2_655
H10A C110 2.9344 no 4_574
H10A C111 3.5418 no 4_574
H10A H11A 2.3803 no 4_574
H10A H11B 2.7567 no 4_574
H10A H11D 3.1557 no 4_574
H10A H42 3.5343 no 2_655
H10A H43 3.5992 no 2_655
H10B F13 3.1127 no 2_665
H10B C33 3.3503 no 2_655
H10B C34 2.9582 no 2_655
H10B C35 3.4513 no 2_655
H10B C39 2.9523 no 2_655
H10B C40 3.2894 no 2_655
H10B C41 3.4453 no 2_655
H10B C42 3.3157 no 2_655
H10B C43 2.9503 no 2_655
H10B C44 2.7311 no 2_655
H10B H34 2.9024 no 2_655
H10B H43 3.3919 no 2_655
H10B H44 3.0526 no 2_655
H10C P6 3.3076 no 2_665
H10C F13 2.3972 no 2_665
H10C F16 2.9424 no 2_665
H10C F17 2.7677 no 2_665
H10C C34 3.3587 no 2_655
H10C C35 3.1331 no 2_655
H10C H34 3.1909 no 2_655
H10C H35 2.8151 no 2_655
H10C H53A 3.3548 no 1_565
H10D P5 3.4141 no 1_565
H10D F8 2.4970 no 1_565
H10D F9 3.2987 no 1_565
H10D F11 2.7052 no 1_565
H10D F13 3.4202 no 2_665
H10D H50A 3.5166 no 1_565
H10D H53A 3.1659 no 1_565
H10E F16 2.9811 no 2_665
H10E F17 2.7940 no 2_665
H10E C35 3.5960 no 2_655
H10E C124 2.9825 no 3_686
H10E H35 2.8089 no 2_655
H10E H50A 3.5699 no 1_565
H10E H12C 2.5062 no 3_686
H10E H12D 2.5964 no 3_686
H10F P5 3.3996 no 1_565
H10F F8 3.2693 no 1_565
H10F F9 2.3369 no 1_565
H10F F11 2.8240 no 1_565
H10F F16 3.3887 no 2_665
H10F H50A 2.9253 no 1_565
H10G F1 2.8826 no 4_465
H10G H90 3.2357 no 3_676
H10H C17 3.1077 no 4_475
H10H C18 3.0301 no 4_475
H10H H17 2.8963 no 4_475
H10H H18 2.7514 no 4_475
H10H H30 2.8380 no 2_555
H11A F1 2.5952 no 4_465
H11A C41 3.5491 no 3_676
H11A C42 2.8503 no 3_676
H11A C43 3.4868 no 3_676
H11A C104 3.3567 no 4_475
H11A H10A 2.3803 no 4_475
H11A H42 2.3979 no 3_676
H11A H43 3.5285 no 3_676
H11B F1 3.5201 no 4_465
H11B C16 3.1406 no 4_475
H11B C17 2.8712 no 4_475
H11B C18 3.5242 no 4_475
H11B H10A 2.7567 no 4_475
H11B H16 3.2461 no 4_475
H11B H17 2.8028 no 4_475
H11C C9 3.3303 no 4_475
H11C C15 3.2653 no 4_475
H11C C16 3.2642 no 4_475
H11C C17 3.1204 no 4_475
H11C C18 2.9374 no 4_475
H11C C19 2.9172 no 4_475
H11C C20 3.1141 no 4_475
H11C H9 2.6513 no 4_475
H11C H18 3.3936 no 4_475
H11C H19 3.3504 no 4_475
H11D F15 3.0433 no 4_465
H11D C41 3.0190 no 3_676
H11D C42 3.2852 no 3_676
H11D C101 3.3264 no 4_475
H11D H9 3.3673 no 4_475
H11D H10A 3.1557 no 4_475
H11D H41 2.5468 no 3_676
H11D H42 3.0867 no 3_676
H11D H101 2.7044 no 4_475
H11E C8 3.0448 no 4_475
H11E C9 3.3701 no 4_475
H11E C29 3.4641 no 2_555
H11E C30 3.3891 no 2_555
H11E H8 2.6895 no 4_475
H11E H9 3.2528 no 4_475
H11E H29 2.8656 no 2_555
H11E H30 2.7185 no 2_555
H11E H68 3.5627 no .
H11E H70 2.8876 no .
H11F C41 3.3338 no 3_676
H11F C42 3.2788 no 3_676
H11F C60 3.5226 no 3_676
H11F C61 3.5466 no 3_676
H11F H8 3.3463 no 4_475
H11F H41 2.7400 no 3_676
H11F H42 2.6267 no 3_676
H11F H60 3.1362 no 3_676
H11F H61 3.1663 no 3_676
H11F H70 3.3910 no .
H11F H90 3.3636 no 3_676
H13 C57 3.4175 no .
H13 H57 2.6602 no .
H13 H58 3.2332 no .
H13 H102 3.5903 no .
H13 H103 3.3195 no .
H14 C75 3.2505 no .
H14 C76 2.9656 no .
H14 C77 3.1534 no .
H14 C78 3.5362 no .
H14 C103 3.3829 no .
H14 H57 3.1038 no .
H14 H76 3.2189 no .
H14 H77 3.5314 no .
H14 H103 3.4800 no .
H16 F10 2.8371 no 1_565
H16 F11 3.0735 no 1_565
H16 C76 3.3806 no .
H16 C77 2.8887 no .
H16 H11B 3.2461 no 4_574
H16 H76 3.3691 no .
H16 H77 2.5148 no .
H17 F10 2.6843 no 1_565
H17 O6 3.2655 no 2_555
H17 C110 3.5409 no 4_574
H17 C114 3.4745 no 2_555
H17 C130 3.3122 no 2_555
H17 C131 3.4139 no 2_555
H17 C132 2.8345 no 4_574
H17 H10H 2.8963 no 4_574
H17 H11B 2.8028 no 4_574
H17 H11P 2.8382 no 2_555
H17 H12M 3.4559 no 2_555
H17 H13B 2.5420 no 2_555
H17 H13C 2.7849 no 2_555
H17 H13E 2.7669 no 4_574
H17 H13F 2.4914 no 4_574
H17 H13G 2.7682 no 4_574
H18 O6 3.4142 no 2_555
H18 C29 3.5533 no 3_675
H18 C30 3.0021 no 3_675
H18 C31 3.3285 no 3_675
H18 C114 3.5701 no 2_555
H18 C116 3.3926 no 2_555
H18 C122 3.1429 no 2_555
H18 C129 3.4433 no 2_555
H18 C130 3.3037 no 2_555
H18 H10H 2.7514 no 4_574
H18 H11C 3.3936 no 4_574
H18 H30 2.9384 no 3_675
H18 H31 3.4586 no 3_675
H18 H11K 2.7175 no 2_555
H18 H11P 3.2901 no 2_555
H18 H12L 2.8035 no 2_555
H18 H12M 2.3559 no 2_555
H18 H13B 2.5862 no 2_555
H18 H13F 3.0910 no 4_574
H19 C28 3.4605 no 3_675
H19 C29 2.9665 no 3_675
H19 C30 3.4021 no 3_675
H19 H11C 3.3504 no 4_574
H19 H29 2.8752 no 3_675
H22 C3 3.4118 no 3_675
H22 C4 3.2266 no 3_675
H22 H3 3.1439 no 3_675
H22 H4 2.8023 no 3_675
H22 H11K 3.2937 no 2_555
H23 O7 2.4107 no 2_555
H23 C4 3.4222 no 3_675
H23 C114 2.9083 no 2_555
H23 C116 2.6035 no 2_555
H23 C128 3.3759 no 2_555
H23 C131 3.4858 no 2_555
H23 H4 2.5243 no 3_675
H23 H95 3.1997 no 4_474
H23 H11K 2.0308 no 2_555
H23 H11L 2.6725 no 2_555
H23 H11O 3.4115 no 2_555
H23 H11P 2.4093 no 2_555
H23 H12P 3.2938 no 2_555
H23 H13C 3.4287 no 2_555
H24 O5 2.7341 no 4_474
H24 O7 3.5669 no 2_555
H24 C78 3.5968 no .
H24 C95 3.5226 no 4_474
H24 C120 3.4994 no 4_474
H24 H78 2.6861 no .
H24 H95 2.6250 no 4_474
H24 H12E 2.9888 no 4_474
H24 H12J 3.2155 no 4_474
H24 H11P 3.3861 no 2_555
H25 F4 2.9933 no 2_545
H25 F5 2.5920 no 2_545
H25 F6 2.8593 no 2_545
H25 C79 3.5010 no .
H25 C108 3.0347 no 2_545
H25 H78 3.0874 no .
H25 H79 2.8168 no .
H25 H85 3.1819 no 2_545
H26 C84 3.5005 no 2_545
H26 C85 3.1502 no 2_545
H26 H84 3.3134 no 2_545
H26 H85 2.6494 no 2_545
H28 C4 3.1639 no 3_675
H28 C5 3.0370 no 3_675
H28 C6 3.1337 no 3_675
H28 H4 3.2126 no 3_675
H28 H6 3.2021 no 3_675
H29 C5 3.2432 no 3_675
H29 C6 3.1078 no 3_675
H29 C7 2.9409 no 3_675
H29 C8 2.9367 no 3_675
H29 C9 3.0466 no 3_675
H29 C10 3.2047 no 3_675
H29 C19 3.5934 no 3_675
H29 H7 3.3929 no 3_675
H29 H8 3.4200 no 3_675
H29 H9 3.5565 no 3_675
H29 H11E 2.8656 no 2_545
H29 H19 2.8752 no 3_675
H29 H70 3.5689 no 2_545
H30 O3 2.7251 no 2_545
H30 C18 3.5596 no 3_675
H30 C70 3.2560 no 2_545
H30 C109 3.2735 no 2_545
H30 C112 3.1822 no 2_545
H30 H10H 2.8380 no 2_545
H30 H11E 2.7185 no 2_545
H30 H18 2.9384 no 3_675
H30 H70 2.4922 no 2_545
H30 H71 3.4379 no 2_545
H30 H12M 3.4150 no 4_564
H30 H11Q 3.1547 no 4_564
H30 H11R 3.3859 no 4_564
H30 H12R 3.5756 no 4_564
H31 C113 2.9895 no 4_564
H31 C121 3.4205 no 4_564
H31 C122 2.9655 no 4_564
H31 C127 2.8445 no 4_564
H31 C129 3.2678 no 4_564
H31 H18 3.4586 no 3_675
H31 H84 3.5090 no 2_545
H31 H12K 3.2690 no 4_564
H31 H12L 2.5031 no 4_564
H31 H12M 2.3352 no 4_564
H31 H12N 2.9822 no 4_564
H31 H11Q 3.0432 no 4_564
H31 H11R 2.5050 no 4_564
H31 H12Q 2.8953 no 4_564
H31 H12R 2.2524 no 4_564
H32 C121 3.4523 no 4_564
H32 H84 3.1902 no 2_545
H32 H12L 3.0937 no 4_564
H34 P6 3.5513 no 1_565
H34 F13 3.0041 no 1_565
H34 F15 3.0348 no 1_565
H34 F17 2.7812 no 1_565
H34 H10B 2.9024 no 2_645
H34 H10C 3.1909 no 2_645
H35 F17 2.4508 no 1_565
H35 N4 3.2773 no 2_645
H35 C105 3.4320 no 2_645
H35 C106 3.3246 no 2_645
H35 C107 3.5126 no 2_645
H35 H10C 2.8151 no 2_645
H35 H10E 2.8089 no 2_645
H35 H12C 2.8493 no 4_574
H36 Cu2 3.5664 no 2_645
H36 P4 3.5921 no 2_645
H36 O2 3.2846 no 2_645
H36 N3 3.5819 no 2_645
H36 N4 3.5473 no 2_645
H36 C93 2.8730 no 2_645
H36 C94 3.3246 no 2_645
H36 C97 3.2810 no 2_645
H36 C98 2.8194 no 2_645
H36 C99 3.5898 no 2_645
H36 C106 3.4554 no 2_645
H36 H98 3.0571 no 2_645
H37 C88 3.2130 no 2_645
H37 C121 3.2627 no 4_564
H37 C128 3.2234 no 4_564
H37 H88 2.7483 no 2_645
H37 H11L 3.2483 no 4_564
H37 H12O 2.9203 no 4_564
H37 H12P 2.6799 no 4_564
H40 F14 3.3240 no 2_655
H40 F18 2.4121 no 2_655
H40 H58 3.3752 no .
H40 H101 3.0888 no 2_645
H41 P6 3.5402 no 2_655
H41 F14 2.4852 no 2_655
H41 F15 3.3100 no 2_655
H41 F18 3.1427 no 2_655
H41 C60 3.3150 no .
H41 C111 3.3212 no 3_676
H41 C112 3.4491 no 3_676
H41 H11D 2.5468 no 3_676
H41 H11F 2.7400 no 3_676
H41 H58 3.2764 no .
H41 H60 2.4591 no .
H41 H101 3.0264 no 2_645
H42 F1 3.3935 no 2_655
H42 O3 3.4500 no 3_676
H42 C89 3.1252 no .
H42 C90 3.5297 no .
H42 C110 3.1536 no 3_676
H42 C111 3.3479 no 3_676
H42 C112 3.2141 no 3_676
H42 H10A 3.5343 no 2_645
H42 H11A 2.3979 no 3_676
H42 H11D 3.0867 no 3_676
H42 H11F 2.6267 no 3_676
H42 H60 3.2894 no .
H42 H89 2.6330 no .
H42 H90 3.3646 no .
H43 F1 2.8289 no 2_655
H43 F3 2.8451 no 2_655
H43 F13 3.3197 no 1_565
H43 C54 3.4122 no 2_655
H43 C89 3.4507 no .
H43 C102 3.2683 no .
H43 C103 3.5288 no .
H43 H10A 3.5992 no 2_645
H43 H10B 3.3919 no 2_645
H43 H11A 3.5285 no 3_676
H43 H88 3.5611 no .
H43 H89 2.7148 no .
H43 H102 2.5414 no .
H43 H103 3.0451 no .
H44 F13 2.9490 no 1_565
H44 F15 3.2702 no 1_565
H44 C102 3.1246 no .
H44 H10B 3.0526 no 2_645
H44 H102 2.3130 no .
H44 H103 3.4961 no .
H47 F7 2.5061 no 2_555
H47 C76 3.1431 no 2_545
H47 C77 2.8776 no 2_545
H47 C78 3.5944 no 2_545
H47 C118 3.4227 no 3_676
H47 C119 3.4579 no 3_676
H47 H76 3.2089 no 2_545
H47 H77 2.7301 no 2_545
H47 H11I 2.9100 no 3_676
H47 H11M 2.6501 no 3_676
H48 F7 2.7722 no 2_555
H48 C79 3.0491 no .
H48 C80 3.0336 no .
H48 H79 2.5000 no .
H48 H80 2.4697 no .
H48 H11M 3.3613 no 3_676
H49 C79 3.4218 no .
H49 H57 3.3651 no .
H49 H79 3.1202 no .
H49 H80 3.4995 no .
H50A F8 3.1824 no .
H50A F9 2.8033 no .
H50A F16 2.2594 no 2_655
H50A H10D 3.5166 no 1_545
H50A H10E 3.5699 no 1_545
H50A H10F 2.9253 no 1_545
H50B P5 3.3201 no .
H50B F8 2.7800 no .
H50B F9 2.5744 no .
H50B F12 2.7329 no .
H50B C82 3.1464 no 2_545
H50B C83 2.8521 no 2_545
H50B H82 2.9629 no 2_545
H50B H83 2.4206 no 2_545
H51A F9 3.3408 no .
H51A C75 3.0181 no 2_545
H51A C76 3.2934 no 2_545
H51A C77 3.3661 no 2_545
H51A C78 3.2084 no 2_545
H51A C79 2.9253 no 2_545
H51A C80 2.7994 no 2_545
H51A C81 3.4087 no 2_545
H51A C82 2.9035 no 2_545
H51A C83 3.3759 no 2_545
H51A H79 3.3745 no 2_545
H51A H80 3.1714 no 2_545
H51A H82 2.7827 no 2_545
H51A H83 3.5818 no 2_545
H51B F6 2.9321 no 1_545
H51B F9 3.5194 no .
H51B F16 3.5481 no 2_655
H51B C78 3.1754 no 2_545
H51B C79 3.2490 no 2_545
H51B C119 3.1540 no 3_676
H51B H78 3.3385 no 2_545
H51B H79 3.4585 no 2_545
H51B H12D 3.5273 no 3_676
H51B H11I 2.3588 no 3_676
H51B H11J 3.1144 no 3_676
H53A P6 3.2948 no 2_655
H53A F8 3.2452 no .
H53A F13 2.5414 no 2_655
H53A F16 2.5514 no 2_655
H53A F18 2.9043 no 2_655
H53A H10C 3.3548 no 1_545
H53A H10D 3.1659 no 1_545
H53B F8 2.5506 no .
H53B H83 3.0904 no 2_545
H53B H12Q 3.5752 no 4_564
H53B H12R 3.4458 no 4_564
H53B H13E 3.3047 no 4_564
H57 C13 3.3904 no .
H57 H13 2.6602 no .
H57 H14 3.1038 no .
H57 H49 3.3651 no .
H58 C39 3.4217 no .
H58 C40 3.0361 no .
H58 C41 2.9485 no .
H58 C42 3.2135 no .
H58 C43 3.5915 no .
H58 H13 3.2332 no .
H58 H40 3.3752 no .
H58 H41 3.2764 no .
H60 F14 3.0448 no 2_655
H60 C41 2.8889 no .
H60 C42 3.3649 no .
H60 C123 3.2088 no 3_676
H60 H11F 3.1362 no 3_676
H60 H41 2.4591 no .
H60 H42 3.2894 no .
H60 H12A 2.6806 no 3_676
H60 H12B 2.9158 no 3_676
H60 H11J 3.1028 no 3_676
H60 H11N 3.3922 no 3_676
H61 O4 2.4173 no 3_676
H61 C68 3.1028 no 3_676
H61 C123 2.6456 no 3_676
H61 C126 3.4148 no 3_676
H61 H11F 3.1663 no 3_676
H61 H68 2.8071 no 3_676
H61 H12A 2.4072 no 3_676
H61 H12B 2.7734 no 3_676
H61 H12H 3.3224 no 3_676
H61 H12I 3.0058 no 3_676
H62 C63 3.4679 no 3_676
H62 C65 3.4333 no 3_676
H62 C66 3.2705 no 3_676
H62 C67 3.0366 no 3_676
H62 C68 3.0142 no 3_676
H62 C69 3.2104 no 3_676
H62 C74 3.4172 no 3_676
H62 C92 3.3979 no 3_676
H62 H63 2.5797 no 3_676
H62 H67 3.4505 no 3_676
H62 H68 3.4276 no 3_676
H62 H92 2.4959 no 3_676
H63 C62 3.1913 no 3_676
H63 C63 3.2704 no 3_676
H63 H62 2.5797 no 3_676
H63 H63 2.7387 no 3_676
H63 H91 3.0979 no 3_676
H63 H92 3.2746 no 3_676
H67 O4 2.9770 no .
H67 C126 2.6840 no .
H67 H62 3.4505 no 3_676
H67 H12G 2.3992 no .
H67 H12H 2.3577 no .
H68 O4 2.8292 no .
H68 C61 3.5878 no 3_676
H68 C126 3.5031 no .
H68 H7 3.2646 no 4_475
H68 H11E 3.5627 no .
H68 H61 2.8071 no 3_676
H68 H62 3.4276 no 3_676
H68 H12G 3.3918 no .
H70 O3 2.7082 no .
H70 C30 3.0636 no 2_555
H70 C112 3.1821 no .
H70 H11E 2.8876 no .
H70 H11F 3.3910 no .
H70 H29 3.5689 no 2_555
H70 H30 2.4922 no 2_555
H70 H90 3.3206 no 3_676
H71 O3 3.4085 no .
H71 O6 3.5280 no .
H71 C113 3.0280 no 3_576
H71 C127 2.9712 no 3_576
H71 C130 3.3727 no .
H71 C132 3.1801 no 3_576
H71 H30 3.4379 no 2_555
H71 H90 3.0674 no 3_676
H71 H91 3.3693 no 3_676
H71 H13A 2.4817 no .
H71 H13B 3.5748 no .
H71 H11Q 2.2736 no 3_576
H71 H12R 2.5386 no 3_576
H71 H13G 2.5549 no 3_576
H72 F10 3.1710 no 2_555
H72 F12 2.8483 no 2_555
H72 O6 3.1956 no .
H72 C117 3.5037 no 3_676
H72 C130 3.3375 no .
H72 C131 3.2694 no .
H72 C132 3.3589 no 3_576
H72 H91 3.3864 no 3_676
H72 H11G 2.8585 no 3_676
H72 H11H 3.3240 no 3_676
H72 H13A 2.9261 no .
H72 H13B 3.4942 no .
H72 H13C 2.9200 no .
H72 H13D 3.0603 no .
H72 H13E 3.3913 no 3_576
H72 H13G 2.5590 no 3_576
H73 F12 3.2614 no 2_555
H73 C117 3.5690 no 3_676
H73 C118 3.3695 no 3_676
H73 H11G 3.0332 no 3_676
H73 H11M 3.2853 no 3_676
H73 H11N 2.8781 no 3_676
H76 F7 3.5799 no 1_565
H76 F11 2.6238 no 1_565
H76 H14 3.2189 no .
H76 H16 3.3691 no .
H76 H47 3.2089 no 2_555
H77 P5 3.4687 no 1_565
H77 F7 2.8401 no 1_565
H77 F10 2.8390 no 1_565
H77 F11 2.8843 no 1_565
H77 C16 3.2323 no .
H77 H14 3.5314 no .
H77 H16 2.5148 no .
H77 H47 2.7301 no 2_555
H77 H11H 2.8405 no 4_474
H77 H11I 3.3505 no 4_474
H77 H11M 3.4226 no 4_474
H78 F6 3.2285 no 2_545
H78 O5 3.2986 no 4_474
H78 C24 2.9235 no .
H78 C25 3.1455 no .
H78 H24 2.6861 no .
H78 H25 3.0874 no .
H78 H51B 3.3385 no 2_555
H78 H11H 3.3482 no 4_474
H78 H11I 2.7927 no 4_474
H79 F5 3.1159 no 2_545
H79 F6 2.9024 no 2_545
H79 F9 3.4688 no 2_555
H79 C25 3.2685 no .
H79 C48 3.1984 no .
H79 C49 3.5152 no .
H79 H25 2.8168 no .
H79 H48 2.5000 no .
H79 H49 3.1202 no .
H79 H51A 3.3745 no 2_555
H79 H51B 3.4585 no 2_555
H80 F7 3.5929 no 2_555
H80 C48 3.3070 no .
H80 H48 2.4697 no .
H80 H49 3.4995 no .
H80 H51A 3.1714 no 2_555
H82 F12 2.5018 no 2_555
H82 C51 3.5862 no 2_555
H82 H50B 2.9629 no 2_555
H82 H51A 2.7827 no 2_555
H83 F12 2.8650 no 2_555
H83 N2 3.3448 no 2_555
H83 C50 3.1931 no 2_555
H83 H50B 2.4206 no 2_555
H83 H51A 3.5818 no 2_555
H83 H53B 3.0904 no 2_555
H83 H12R 3.4314 no 3_576
H84 C27 2.8636 no 2_555
H84 C28 3.0853 no 2_555
H84 C29 3.2545 no 2_555
H84 C30 3.2039 no 2_555
H84 C31 2.9845 no 2_555
H84 C32 2.7830 no 2_555
H84 H26 3.3134 no 2_555
H84 H31 3.5090 no 2_555
H84 H32 3.1902 no 2_555
H85 C25 3.3235 no 2_555
H85 C26 3.0248 no 2_555
H85 H25 3.1819 no 2_555
H85 H26 2.6494 no 2_555
H88 C37 3.4967 no 2_655
H88 H37 2.7483 no 2_655
H88 H43 3.5611 no .
H88 H12O 3.4509 no 3_676
H89 F1 2.9304 no 2_655
H89 F2 3.4619 no 2_655
H89 F3 3.0582 no 2_655
H89 C42 3.2448 no .
H89 C43 3.2812 no .
H89 C54 3.3934 no 2_655
H89 H42 2.6330 no .
H89 H43 2.7148 no .
H89 H12K 3.0310 no 3_676
H89 H12N 3.5262 no 3_676
H90 O3 2.7527 no 3_676
H90 C70 3.3769 no 3_676
H90 C71 3.2392 no 3_676
H90 C109 3.5201 no 3_676
H90 H10G 3.2357 no 3_676
H90 H11F 3.3636 no 3_676
H90 H42 3.3646 no .
H90 H70 3.3206 no 3_676
H90 H71 3.0674 no 3_676
H90 H12K 3.3259 no 3_676
H90 H12N 3.1783 no 3_676
H90 H13A 2.8992 no 3_676
H91 C69 3.3882 no 3_676
H91 C70 3.1787 no 3_676
H91 C71 2.9614 no 3_676
H91 C72 2.9659 no 3_676
H91 C73 3.1762 no 3_676
H91 C74 3.3905 no 3_676
H91 H63 3.0979 no 3_676
H91 H71 3.3693 no 3_676
H91 H72 3.3864 no 3_676
H91 H13A 3.3767 no 3_676
H91 H13D 2.9281 no 3_676
H92 C62 3.1714 no 3_676
H92 C63 3.5635 no 3_676
H92 H62 2.4959 no 3_676
H92 H63 3.2746 no 3_676
H92 H13D 3.3421 no 3_676
H94 O7 2.8245 no 3_676
H94 C114 3.1612 no 3_676
H94 C116 3.3394 no 3_676
H94 C128 2.8170 no 3_676
H94 C131 3.3208 no 3_676
H94 H12H 3.0357 no .
H94 H11L 2.7417 no 3_676
H94 H11O 2.3381 no 3_676
H94 H12O 2.1502 no 3_676
H94 H12P 3.1688 no 3_676
H94 H13D 2.8079 no 3_676
H95 O5 3.0032 no .
H95 O7 2.8176 no 3_676
H95 C23 3.4984 no 4_575
H95 C24 3.2038 no 4_575
H95 C114 3.4574 no 3_676
H95 C116 3.4216 no 3_676
H95 C120 3.5532 no .
H95 C125 3.3750 no .
H95 C126 3.5570 no .
H95 C128 3.4716 no 3_676
H95 H4 3.5692 no 2_655
H95 H6 3.3276 no 2_655
H95 H23 3.1997 no 4_575
H95 H24 2.6250 no 4_575
H95 H12E 2.7570 no .
H95 H12F 3.4912 no .
H95 H12H 3.0176 no .
H95 H12J 3.4438 no .
H95 H11L 2.6876 no 3_676
H95 H11O 2.9958 no 3_676
H95 H11P 3.5267 no 3_676
H95 H12O 3.4516 no 3_676
H95 H12P 3.4722 no 3_676
H96 C6 3.3852 no 2_655
H96 C97 3.5202 no 3_686
H96 C125 3.2778 no .
H96 H6 2.5822 no 2_655
H96 H7 3.4482 no 2_655
H96 H97 2.8282 no 3_686
H96 H12E 3.2153 no .
H96 H12F 2.7358 no .
H96 H12G 3.2712 no .
H96 H12G 3.5750 no 3_686
H97 C96 3.3599 no 3_686
H97 C97 3.5900 no 3_686
H97 C125 3.0975 no 3_686
H97 H96 2.8282 no 3_686
H97 H97 3.2732 no 3_686
H97 H12C 3.4685 no 3_686
H97 H12F 2.1497 no 3_686
H97 H12G 3.2943 no .
H97 H12G 3.1434 no 3_686
H98 H36 3.0571 no 2_655
H101 F15 2.7343 no 1_565
H101 F18 2.8099 no 1_565
H101 C40 3.1212 no 2_655
H101 C41 3.1015 no 2_655
H101 H11D 2.7044 no 4_574
H101 H40 3.0888 no 2_655
H101 H41 3.0264 no 2_655
H102 F3 3.2766 no 2_655
H102 F13 3.1871 no 1_565
H102 F15 3.0168 no 1_565
H102 F18 3.3164 no 1_565
H102 C43 3.0248 no .
H102 C44 2.9045 no .
H102 H13 3.5903 no .
H102 H43 2.5414 no .
H102 H44 2.3130 no .
H103 C43 3.3563 no .
H103 C44 3.5960 no .
H103 H13 3.3195 no .
H103 H14 3.4800 no .
H103 H43 3.0451 no .
H103 H44 3.4961 no .
H12A F14 3.0069 no 4_465
H12A C60 2.8759 no 3_676
H12A C61 2.7241 no 3_676
H12A H60 2.6806 no 3_676
H12A H61 2.4072 no 3_676
H12B P6 3.0771 no 4_465
H12B F14 1.9090 no 4_465
H12B F15 3.5303 no 4_465
H12B F16 3.4899 no 4_465
H12B F17 2.6701 no 4_465
H12B C8 3.1528 no 4_475
H12B C60 3.4559 no 3_676
H12B C61 3.3849 no 3_676
H12B H7 3.3844 no 4_475
H12B H8 2.3088 no 4_475
H12B H60 2.9158 no 3_676
H12B H61 2.7734 no 3_676
H12C F4 3.1423 no 3_686
H12C F6 3.5195 no 3_686
H12C F14 3.4026 no 4_465
H12C F16 3.5429 no 4_465
H12C F17 2.4134 no 4_465
H12C C7 3.3958 no 4_475
H12C C8 3.4579 no 4_475
H12C C107 3.3555 no 3_686
H12C C108 3.5250 no 3_686
H12C H7 3.0478 no 4_475
H12C H8 3.1350 no 4_475
H12C H10E 2.5062 no 3_686
H12C H35 2.8493 no 4_475
H12C H97 3.4685 no 3_686
H12D F4 3.0543 no 3_686
H12D F6 2.4614 no 3_686
H12D F14 3.4063 no 4_465
H12D F16 3.1528 no 4_465
H12D F17 3.1007 no 4_465
H12D C107 3.2404 no 3_686
H12D C108 3.0608 no 3_686
H12D H10E 2.5964 no 3_686
H12D H51B 3.5273 no 3_676
H12E F4 3.0942 no 3_686
H12E F6 3.1965 no 3_686
H12E C95 3.0254 no .
H12E C96 3.2898 no .
H12E H24 2.9888 no 4_575
H12E H95 2.7570 no .
H12E H96 3.2153 no .
H12F F4 2.4613 no 3_686
H12F F6 3.5441 no 3_686
H12F C95 3.4445 no .
H12F C96 3.0232 no .
H12F C97 3.0752 no 3_686
H12F C108 3.5002 no 3_686
H12F H7 3.5569 no 4_475
H12F H95 3.4912 no .
H12F H96 2.7358 no .
H12F H97 2.1497 no 3_686
H12G C7 3.4514 no 4_475
H12G C67 3.2724 no .
H12G C93 3.5098 no .
H12G C94 3.4947 no .
H12G C95 3.2269 no .
H12G C96 2.9210 no .
H12G C97 2.9295 no .
H12G C98 3.2333 no .
H12G H7 2.5116 no 4_475
H12G H67 2.3992 no .
H12G H68 3.3918 no .
H12G H96 3.2712 no .
H12G H96 3.5750 no 3_686
H12G H97 3.2943 no .
H12G H97 3.1434 no 3_686
H12H C67 3.1048 no .
H12H C93 3.1845 no .
H12H C94 2.7305 no .
H12H C95 2.7115 no .
H12H C96 3.1342 no .
H12H C97 3.5366 no .
H12H C98 3.5612 no .
H12H H61 3.3224 no 3_676
H12H H67 2.3577 no .
H12H H94 3.0357 no .
H12H H95 3.0176 no .
H11G C72 3.3633 no 3_676
H11G C73 3.4551 no 3_676
H11G H72 2.8585 no 3_676
H11G H73 3.0332 no 3_676
H11H F7 3.2481 no 4_565
H11H F10 2.7507 no 4_565
H11H H72 3.3240 no 3_676
H11H H77 2.8405 no 4_575
H11H H78 3.3482 no 4_575
H11I F6 3.3053 no 3_686
H11I C46 3.3087 no 3_676
H11I C47 3.2350 no 3_676
H11I C51 3.1595 no 3_676
H11I C77 3.4975 no 4_575
H11I C78 3.1838 no 4_575
H11I H47 2.9100 no 3_676
H11I H51B 2.3588 no 3_676
H11I H77 3.3505 no 4_575
H11I H78 2.7927 no 4_575
H11J F14 3.5359 no 4_465
H11J C46 3.5908 no 3_676
H11J C60 3.3258 no 3_676
H11J H51B 3.1144 no 3_676
H11J H60 3.1028 no 3_676
H12I C61 3.1436 no 3_676
H12I H61 3.0058 no 3_676
H12J F4 3.5210 no 3_686
H12J F6 2.9608 no 3_686
H12J H24 3.2155 no 4_575
H12J H95 3.4438 no .
H11K C3 3.2730 no 4_465
H11K C4 3.1867 no 4_465
H11K C18 3.1427 no 2_545
H11K C22 3.5405 no 2_545
H11K C23 2.9214 no 2_545
H11K H3 2.7167 no 4_465
H11K H4 2.5470 no 4_465
H11K H18 2.7175 no 2_545
H11K H22 3.2937 no 2_545
H11K H23 2.0308 no 2_545
H11L C4 3.1733 no 4_465
H11L C23 3.4832 no 2_545
H11L C94 3.0650 no 3_676
H11L C95 3.0402 no 3_676
H11L H3 3.4600 no 4_465
H11L H4 2.5326 no 4_465
H11L H23 2.6725 no 2_545
H11L H37 3.2483 no 4_465
H11L H94 2.7417 no 3_676
H11L H95 2.6876 no 3_676
H11M F7 2.6363 no 4_565
H11M C47 3.0631 no 3_676
H11M C48 3.4576 no 3_676
H11M H47 2.6501 no 3_676
H11M H48 3.3613 no 3_676
H11M H73 3.2853 no 3_676
H11M H77 3.4226 no 4_575
H11N C58 3.5568 no 3_676
H11N C59 2.8798 no 3_676
H11N C60 2.9514 no 3_676
H11N C61 3.1946 no 3_676
H11N C62 3.3446 no 3_676
H11N C63 3.2995 no 3_676
H11N C64 3.0773 no 3_676
H11N H60 3.3922 no 3_676
H11N H73 2.8781 no 3_676
H11O C91 3.5965 no 3_676
H11O C92 3.5526 no 3_676
H11O C94 3.1291 no 3_676
H11O C95 3.4462 no 3_676
H11O H23 3.4115 no 2_545
H11O H94 2.3381 no 3_676
H11O H95 2.9958 no 3_676
H11P C17 3.1266 no 2_545
H11P C18 3.3823 no 2_545
H11P C23 3.2247 no 2_545
H11P H17 2.8382 no 2_545
H11P H18 3.2901 no 2_545
H11P H23 2.4093 no 2_545
H11P H24 3.3861 no 2_545
H11P H95 3.5267 no 3_676
H12K F2 2.7184 no 4_465
H12K C89 3.0616 no 3_676
H12K C90 3.2228 no 3_676
H12K H31 3.2690 no 4_465
H12K H89 3.0310 no 3_676
H12K H90 3.3259 no 3_676
H12L F2 3.3271 no 4_465
H12L C31 2.7998 no 4_465
H12L C32 3.1117 no 4_465
H12L H3 3.3492 no 4_465
H12L H18 2.8035 no 2_545
H12L H31 2.5031 no 4_465
H12L H32 3.0937 no 4_465
H12M C18 3.2260 no 2_545
H12M C30 3.3915 no 4_465
H12M C31 2.8159 no 4_465
H12M H17 3.4559 no 2_545
H12M H18 2.3559 no 2_545
H12M H30 3.4150 no 4_465
H12M H31 2.3352 no 4_465
H12N F2 3.0208 no 4_465
H12N C89 3.5906 no 3_676
H12N C90 3.3790 no 3_676
H12N H31 2.9822 no 4_465
H12N H89 3.5262 no 3_676
H12N H90 3.1783 no 3_676
H12O C87 3.0541 no 3_676
H12O C88 3.0282 no 3_676
H12O C89 3.2012 no 3_676
H12O C90 3.3862 no 3_676
H12O C91 3.3735 no 3_676
H12O C92 3.1983 no 3_676
H12O C94 2.8381 no 3_676
H12O C95 3.5232 no 3_676
H12O H37 2.9203 no 4_465
H12O H88 3.4509 no 3_676
H12O H94 2.1502 no 3_676
H12O H95 3.4516 no 3_676
H12P C3 3.3901 no 4_465
H12P C4 3.1779 no 4_465
H12P C37 3.1899 no 4_465
H12P C94 3.5265 no 3_676
H12P H3 3.1472 no 4_465
H12P H4 2.7548 no 4_465
H12P H23 3.2938 no 2_545
H12P H37 2.6799 no 4_465
H12P H94 3.1688 no 3_676
H12P H95 3.4722 no 3_676
H13A C71 3.0376 no .
H13A C72 3.2614 no .
H13A C90 3.1263 no 3_676
H13A C91 3.4066 no 3_676
H13A H71 2.4817 no .
H13A H72 2.9261 no .
H13A H90 2.8992 no 3_676
H13A H91 3.3767 no 3_676
H13B C17 3.1498 no 2_545
H13B C18 3.1737 no 2_545
H13B H17 2.5420 no 2_545
H13B H18 2.5862 no 2_545
H13B H71 3.5748 no .
H13B H72 3.4942 no .
H13C F10 3.4276 no 2_555
H13C C17 3.3553 no 2_545
H13C H17 2.7849 no 2_545
H13C H23 3.4287 no 2_545
H13C H72 2.9200 no .
H13D C72 3.5008 no .
H13D C90 3.4503 no 3_676
H13D C91 2.9150 no 3_676
H13D C92 3.1786 no 3_676
H13D H72 3.0603 no .
H13D H91 2.9281 no 3_676
H13D H92 3.3421 no 3_676
H13D H94 2.8079 no 3_676
H11Q C71 3.1959 no 3_576
H11Q H30 3.1547 no 4_465
H11Q H31 3.0432 no 4_465
H11Q H71 2.2736 no 3_576
H11R C31 3.3261 no 4_465
H11R H30 3.3859 no 4_465
H11R H31 2.5050 no 4_465
H12Q F1 2.9570 no 4_465
H12Q F2 2.5390 no 4_465
H12Q C54 3.2802 no 4_465
H12Q H31 2.8953 no 4_465
H12Q H53B 3.5752 no 4_465
H12R F2 3.0509 no 4_465
H12R C31 3.0447 no 4_465
H12R C71 3.1658 no 3_576
H12R H30 3.5756 no 4_465
H12R H31 2.2524 no 4_465
H12R H53B 3.4458 no 4_465
H12R H71 2.5386 no 3_576
H12R H83 3.4314 no 3_576
H13E P5 3.5587 no 4_465
H13E F1 3.5288 no 4_465
H13E F8 2.7398 no 4_465
H13E F10 2.8865 no 4_465
H13E F12 3.4344 no 4_465
H13E C17 3.5710 no 4_475
H13E H17 2.7669 no 4_475
H13E H53B 3.3047 no 4_465
H13E H72 3.3913 no 3_576
H13F C17 3.1148 no 4_475
H13F C18 3.4229 no 4_475
H13F H17 2.4914 no 4_475
H13F H18 3.0910 no 4_475
H13G F10 3.3435 no 4_465
H13G C71 3.1614 no 3_576
H13G C72 3.1637 no 3_576
H13G H17 2.7682 no 4_475
H13G H71 2.5549 no 3_576
H13G H72 2.5590 no 3_576
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
P1 Cu1 P2 C12 47.45(6) no . . .
P1 Cu1 P2 C33 -71.63(6) no . . .
P1 Cu1 P2 C39 163.39(6) no . . .
P2 Cu1 P1 C2 24.66(6) no . . .
P2 Cu1 P1 C21 -98.95(6) no . . .
P2 Cu1 P1 C27 142.37(6) no . . .
P1 Cu1 O1 C52 -117.4(2) no . . .
O1 Cu1 P1 C2 -96.71(11) no . . .
O1 Cu1 P1 C21 139.68(11) no . . .
O1 Cu1 P1 C27 20.99(12) no . . .
P1 Cu1 N1 C45 108.5(2) no . . .
P1 Cu1 N1 C49 -66.9(2) no . . .
N1 Cu1 P1 C2 160.23(12) no . . .
N1 Cu1 P1 C21 36.62(13) no . . .
N1 Cu1 P1 C27 -82.06(13) no . . .
P2 Cu1 O1 C52 128.0(2) no . . .
O1 Cu1 P2 C12 169.38(10) no . . .
O1 Cu1 P2 C33 50.29(11) no . . .
O1 Cu1 P2 C39 -74.68(11) no . . .
P2 Cu1 N1 C45 -124.0(2) no . . .
P2 Cu1 N1 C49 60.6(2) no . . .
N1 Cu1 P2 C12 -88.57(12) no . . .
N1 Cu1 P2 C33 152.35(11) no . . .
N1 Cu1 P2 C39 27.38(13) no . . .
O1 Cu1 N1 C45 -8.3(2) no . . .
O1 Cu1 N1 C49 176.3(2) no . . .
N1 Cu1 O1 C52 5.9(3) no . . .
P3 Cu2 P4 C66 -22.23(7) no . . .
P3 Cu2 P4 C87 98.52(6) no . . .
P3 Cu2 P4 C93 -138.01(6) no . . .
P4 Cu2 P3 C56 -50.92(5) no . . .
P4 Cu2 P3 C75 -166.72(6) no . . .
P4 Cu2 P3 C81 66.74(6) no . . .
P3 Cu2 O2 C106 -113.4(2) no . . .
O2 Cu2 P3 C56 -170.72(10) no . . .
O2 Cu2 P3 C75 73.49(11) no . . .
O2 Cu2 P3 C81 -53.05(11) no . . .
P3 Cu2 N3 C99 113.4(2) no . . .
P3 Cu2 N3 C103 -70.6(2) no . . .
N3 Cu2 P3 C56 90.26(11) no . . .
N3 Cu2 P3 C75 -25.53(13) no . . .
N3 Cu2 P3 C81 -152.07(11) no . . .
P4 Cu2 O2 C106 133.9(2) no . . .
O2 Cu2 P4 C66 96.08(10) no . . .
O2 Cu2 P4 C87 -143.17(10) no . . .
O2 Cu2 P4 C93 -19.69(11) no . . .
P4 Cu2 N3 C99 -116.1(2) no . . .
P4 Cu2 N3 C103 59.9(3) no . . .
N3 Cu2 P4 C66 -158.65(12) no . . .
N3 Cu2 P4 C87 -37.90(14) no . . .
N3 Cu2 P4 C93 85.57(13) no . . .
O2 Cu2 N3 C99 1.0(2) no . . .
O2 Cu2 N3 C103 177.0(2) no . . .
N3 Cu2 O2 C106 5.2(2) no . . .
Cu1 P1 C2 C1 -59.9(3) no . . .
Cu1 P1 C2 C3 110.0(2) no . . .
Cu1 P1 C21 C22 140.5(2) no . . .
Cu1 P1 C21 C26 -40.5(3) no . . .
Cu1 P1 C27 C28 145.6(3) no . . .
Cu1 P1 C27 C32 -30.6(3) no . . .
C2 P1 C21 C22 14.2(3) no . . .
C2 P1 C21 C26 -166.9(2) no . . .
C21 P1 C2 C1 68.4(3) no . . .
C21 P1 C2 C3 -121.7(3) no . . .
C2 P1 C27 C28 -91.7(3) no . . .
C2 P1 C27 C32 92.1(3) no . . .
C27 P1 C2 C1 176.1(3) no . . .
C27 P1 C2 C3 -14.1(3) no . . .
C21 P1 C27 C28 19.5(4) no . . .
C21 P1 C27 C32 -156.7(3) no . . .
C27 P1 C21 C22 -94.3(3) no . . .
C27 P1 C21 C26 84.7(3) no . . .
Cu1 P2 C12 C11 -76.9(3) no . . .
Cu1 P2 C12 C13 93.0(2) no . . .
Cu1 P2 C33 C34 162.9(2) no . . .
Cu1 P2 C33 C38 -20.9(3) no . . .
Cu1 P2 C39 C40 31.0(3) no . . .
Cu1 P2 C39 C44 -151.7(2) no . . .
C12 P2 C33 C34 48.3(3) no . . .
C12 P2 C33 C38 -135.6(2) no . . .
C33 P2 C12 C11 45.4(3) no . . .
C33 P2 C12 C13 -144.7(2) no . . .
C12 P2 C39 C40 146.1(3) no . . .
C12 P2 C39 C44 -36.7(3) no . . .
C39 P2 C12 C11 154.4(3) no . . .
C39 P2 C12 C13 -35.7(3) no . . .
C33 P2 C39 C40 -99.3(3) no . . .
C33 P2 C39 C44 77.9(3) no . . .
C39 P2 C33 C34 -61.9(3) no . . .
C39 P2 C33 C38 114.2(3) no . . .
Cu2 P3 C56 C55 77.1(3) no . . .
Cu2 P3 C56 C57 -90.7(2) no . . .
Cu2 P3 C75 C76 -38.6(3) no . . .
Cu2 P3 C75 C80 145.8(2) no . . .
Cu2 P3 C81 C82 -163.8(2) no . . .
Cu2 P3 C81 C86 18.8(3) no . . .
C56 P3 C75 C76 -151.7(3) no . . .
C56 P3 C75 C80 32.7(3) no . . .
C75 P3 C56 C55 -153.7(3) no . . .
C75 P3 C56 C57 38.5(3) no . . .
C56 P3 C81 C82 -51.9(3) no . . .
C56 P3 C81 C86 130.8(3) no . . .
C81 P3 C56 C55 -45.2(3) no . . .
C81 P3 C56 C57 147.0(2) no . . .
C75 P3 C81 C82 59.1(3) no . . .
C75 P3 C81 C86 -118.3(3) no . . .
C81 P3 C75 C76 94.0(3) no . . .
C81 P3 C75 C80 -81.7(3) no . . .
Cu2 P4 C66 C65 62.0(3) no . . .
Cu2 P4 C66 C67 -112.9(2) no . . .
Cu2 P4 C87 C88 21.9(3) no . . .
Cu2 P4 C87 C92 -156.1(2) no . . .
Cu2 P4 C93 C94 -142.3(3) no . . .
Cu2 P4 C93 C98 35.8(4) no . . .
C66 P4 C87 C88 146.9(3) no . . .
C66 P4 C87 C92 -31.1(4) no . . .
C87 P4 C66 C65 -67.3(3) no . . .
C87 P4 C66 C67 117.7(3) no . . .
C66 P4 C93 C94 96.6(4) no . . .
C66 P4 C93 C98 -85.2(4) no . . .
C93 P4 C66 C65 -176.3(3) no . . .
C93 P4 C66 C67 8.8(3) no . . .
C87 P4 C93 C94 -11.3(4) no . . .
C87 P4 C93 C98 166.8(3) no . . .
C93 P4 C87 C88 -105.5(3) no . . .
C93 P4 C87 C92 76.5(3) no . . .
Cu1 O1 C52 N2 -0.6(6) no . . .
Cu1 O1 C52 C53 179.8(2) no . . .
Cu2 O2 C106 N4 -7.1(6) no . . .
Cu2 O2 C106 C107 173.36(19) no . . .
C109 O3 C112 C111 1.6(7) no . . .
C112 O3 C109 C110 -22.7(7) no . . .
C123 O4 C126 C125 -23(2) no . . .
C126 O4 C123 C124 37(2) no . . .
C117 O5 C120 C119 40.7(9) no . . .
C120 O5 C117 C118 -16.9(10) no . . .
C114 O6 C122 C121 23.0(14) no . . .
C122 O6 C114 C116 -2.2(15) no . . .
C128 O7 C131 C130 -45.7(15) no . . .
C131 O7 C128 C129 46.1(15) no . . .
Cu1 N1 C45 N2 6.5(5) no . . .
Cu1 N1 C45 C46 -173.3(2) no . . .
Cu1 N1 C49 C48 173.4(2) no . . .
C45 N1 C49 C48 -2.5(5) no . . .
C49 N1 C45 N2 -177.9(3) no . . .
C49 N1 C45 C46 2.3(5) no . . .
C45 N2 C50 C51 -0.3(4) no . . .
C50 N2 C45 N1 -179.2(4) no . . .
C50 N2 C45 C46 0.6(4) no . . .
C45 N2 C52 O1 -5.1(7) no . . .
C45 N2 C52 C53 174.6(3) no . . .
C52 N2 C45 N1 1.9(6) no . . .
C52 N2 C45 C46 -178.3(4) no . . .
C50 N2 C52 O1 176.2(4) no . . .
C50 N2 C52 C53 -4.2(6) no . . .
C52 N2 C50 C51 178.7(3) no . . .
Cu2 N3 C99 N4 -5.3(5) no . . .
Cu2 N3 C99 C100 174.3(2) no . . .
Cu2 N3 C103 C102 -173.7(2) no . . .
C99 N3 C103 C102 2.6(5) no . . .
C103 N3 C99 N4 178.5(3) no . . .
C103 N3 C99 C100 -1.8(5) no . . .
C99 N4 C105 C104 -8.1(4) no . . .
C105 N4 C99 N3 -175.5(3) no . . .
C105 N4 C99 C100 4.8(4) no . . .
C99 N4 C106 O2 1.9(6) no . . .
C99 N4 C106 C107 -178.6(3) no . . .
C106 N4 C99 N3 4.9(6) no . . .
C106 N4 C99 C100 -174.8(3) no . . .
C105 N4 C106 O2 -177.7(3) no . . .
C105 N4 C106 C107 1.9(5) no . . .
C106 N4 C105 C104 171.5(3) no . . .
C2 C1 C10 C5 -3.0(5) no . . .
C2 C1 C10 C9 -178.9(3) no . . .
C10 C1 C2 P1 171.2(3) no . . .
C10 C1 C2 C3 1.4(5) no . . .
C2 C1 C11 C12 76.2(5) no . . .
C2 C1 C11 C20 -103.6(4) no . . .
C11 C1 C2 P1 -10.9(5) no . . .
C11 C1 C2 C3 179.3(3) no . . .
C10 C1 C11 C12 -105.8(4) no . . .
C10 C1 C11 C20 74.4(4) no . . .
C11 C1 C10 C5 179.0(3) no . . .
C11 C1 C10 C9 3.1(5) no . . .
P1 C2 C3 C4 -170.1(3) no . . .
C1 C2 C3 C4 0.1(6) no . . .
C2 C3 C4 C5 -0.1(6) no . . .
C3 C4 C5 C6 178.5(4) no . . .
C3 C4 C5 C10 -1.6(6) no . . .
C4 C5 C6 C7 -179.9(4) no . . .
C4 C5 C10 C1 3.1(6) no . . .
C4 C5 C10 C9 179.0(3) no . . .
C6 C5 C10 C1 -177.0(4) no . . .
C6 C5 C10 C9 -1.0(6) no . . .
C10 C5 C6 C7 0.1(6) no . . .
C5 C6 C7 C8 1.8(7) no . . .
C6 C7 C8 C9 -2.9(7) no . . .
C7 C8 C9 C10 1.9(6) no . . .
C8 C9 C10 C1 175.9(3) no . . .
C8 C9 C10 C5 0.0(6) no . . .
C1 C11 C12 P2 -5.8(5) no . . .
C1 C11 C12 C13 -175.5(3) no . . .
C1 C11 C20 C15 177.0(3) no . . .
C1 C11 C20 C19 -3.2(5) no . . .
C12 C11 C20 C15 -2.7(5) no . . .
C12 C11 C20 C19 177.0(3) no . . .
C20 C11 C12 P2 173.9(3) no . . .
C20 C11 C12 C13 4.2(5) no . . .
P2 C12 C13 C14 -173.0(2) no . . .
C11 C12 C13 C14 -2.6(5) no . . .
C12 C13 C14 C15 -0.7(6) no . . .
C13 C14 C15 C16 -179.7(3) no . . .
C13 C14 C15 C20 2.2(5) no . . .
C14 C15 C16 C17 -178.6(3) no . . .
C14 C15 C20 C11 -0.5(5) no . . .
C14 C15 C20 C19 179.7(3) no . . .
C16 C15 C20 C11 -178.6(3) no . . .
C16 C15 C20 C19 1.6(5) no . . .
C20 C15 C16 C17 -0.6(6) no . . .
C15 C16 C17 C18 -0.3(6) no . . .
C16 C17 C18 C19 0.0(6) no . . .
C17 C18 C19 C20 1.1(6) no . . .
C18 C19 C20 C11 178.4(3) no . . .
C18 C19 C20 C15 -1.9(5) no . . .
P1 C21 C22 C23 -179.1(2) no . . .
P1 C21 C26 C25 -179.3(3) no . . .
C22 C21 C26 C25 -0.3(6) no . . .
C26 C21 C22 C23 2.0(6) no . . .
C21 C22 C23 C24 -2.2(6) no . . .
C22 C23 C24 C25 0.8(7) no . . .
C23 C24 C25 C26 0.9(7) no . . .
C24 C25 C26 C21 -1.2(7) no . . .
P1 C27 C28 C29 -178.0(3) no . . .
P1 C27 C32 C31 178.8(3) no . . .
C28 C27 C32 C31 2.5(6) no . . .
C32 C27 C28 C29 -1.8(6) no . . .
C27 C28 C29 C30 1.1(7) no . . .
C28 C29 C30 C31 -1.1(7) no . . .
C29 C30 C31 C32 1.8(7) no . . .
C30 C31 C32 C27 -2.5(7) no . . .
P2 C33 C34 C35 178.5(2) no . . .
P2 C33 C38 C37 -177.2(2) no . . .
C34 C33 C38 C37 -0.9(6) no . . .
C38 C33 C34 C35 2.5(6) no . . .
C33 C34 C35 C36 -2.7(6) no . . .
C34 C35 C36 C37 1.2(6) no . . .
C35 C36 C37 C38 0.5(7) no . . .
C36 C37 C38 C33 -0.6(7) no . . .
P2 C39 C40 C41 177.9(3) no . . .
P2 C39 C44 C43 -179.6(2) no . . .
C40 C39 C44 C43 -2.5(6) no . . .
C44 C39 C40 C41 0.5(6) no . . .
C39 C40 C41 C42 2.5(6) no . . .
C40 C41 C42 C43 -3.7(6) no . . .
C41 C42 C43 C44 1.7(6) no . . .
C42 C43 C44 C39 1.3(6) no . . .
N1 C45 C46 C47 -0.8(6) no . . .
N1 C45 C46 C51 179.2(3) no . . .
N2 C45 C46 C47 179.4(3) no . . .
N2 C45 C46 C51 -0.6(5) no . . .
C45 C46 C47 C48 -0.6(6) no . . .
C45 C46 C51 C50 0.4(5) no . . .
C47 C46 C51 C50 -179.6(4) no . . .
C51 C46 C47 C48 179.4(4) no . . .
C46 C47 C48 C49 0.4(7) no . . .
C47 C48 C49 N1 1.2(7) no . . .
N2 C50 C51 C46 -0.0(5) no . . .
O1 C52 C53 C54 -3.6(6) no . . .
N2 C52 C53 C54 176.8(3) no . . .
C52 C53 C54 F1 179.9(4) no . . .
C52 C53 C54 F2 -63.1(5) no . . .
C52 C53 C54 F3 60.7(5) no . . .
C56 C55 C64 C59 4.1(6) no . . .
C56 C55 C64 C63 -176.4(3) no . . .
C64 C55 C56 P3 -172.4(3) no . . .
C64 C55 C56 C57 -5.0(5) no . . .
C56 C55 C65 C66 -76.2(5) no . . .
C56 C55 C65 C74 102.8(4) no . . .
C65 C55 C56 P3 8.3(6) no . . .
C65 C55 C56 C57 175.8(3) no . . .
C64 C55 C65 C66 104.5(4) no . . .
C64 C55 C65 C74 -76.4(4) no . . .
C65 C55 C64 C59 -176.7(3) no . . .
C65 C55 C64 C63 2.9(5) no . . .
P3 C56 C57 C58 171.3(3) no . . .
C55 C56 C57 C58 3.0(6) no . . .
C56 C57 C58 C59 -0.0(6) no . . .
C57 C58 C59 C60 178.5(4) no . . .
C57 C58 C59 C64 -0.9(6) no . . .
C58 C59 C60 C61 -179.7(4) no . . .
C58 C59 C64 C55 -1.1(6) no . . .
C58 C59 C64 C63 179.3(3) no . . .
C60 C59 C64 C55 179.5(4) no . . .
C60 C59 C64 C63 -0.1(6) no . . .
C64 C59 C60 C61 -0.4(6) no . . .
C59 C60 C61 C62 1.1(7) no . . .
C60 C61 C62 C63 -1.4(7) no . . .
C61 C62 C63 C64 0.9(7) no . . .
C62 C63 C64 C55 -179.8(4) no . . .
C62 C63 C64 C59 -0.2(6) no . . .
C55 C65 C66 P4 5.8(6) no . . .
C55 C65 C66 C67 -179.3(3) no . . .
C55 C65 C74 C69 179.4(3) no . . .
C55 C65 C74 C73 -2.7(6) no . . .
C66 C65 C74 C69 -1.5(6) no . . .
C66 C65 C74 C73 176.3(3) no . . .
C74 C65 C66 P4 -173.2(3) no . . .
C74 C65 C66 C67 1.7(6) no . . .
P4 C66 C67 C68 173.6(3) no . . .
C65 C66 C67 C68 -1.4(6) no . . .
C66 C67 C68 C69 0.8(7) no . . .
C67 C68 C69 C70 -177.2(4) no . . .
C67 C68 C69 C74 -0.6(6) no . . .
C68 C69 C70 C71 177.1(4) no . . .
C68 C69 C74 C65 0.9(6) no . . .
C68 C69 C74 C73 -177.0(4) no . . .
C70 C69 C74 C65 177.6(4) no . . .
C70 C69 C74 C73 -0.3(6) no . . .
C74 C69 C70 C71 0.5(6) no . . .
C69 C70 C71 C72 -0.8(7) no . . .
C70 C71 C72 C73 0.9(7) no . . .
C71 C72 C73 C74 -0.6(7) no . . .
C72 C73 C74 C65 -177.5(4) no . . .
C72 C73 C74 C69 0.3(6) no . . .
P3 C75 C76 C77 -175.3(3) no . . .
P3 C75 C80 C79 176.7(3) no . . .
C76 C75 C80 C79 1.1(6) no . . .
C80 C75 C76 C77 0.7(6) no . . .
C75 C76 C77 C78 -2.1(6) no . . .
C76 C77 C78 C79 1.7(7) no . . .
C77 C78 C79 C80 0.1(7) no . . .
C78 C79 C80 C75 -1.5(7) no . . .
P3 C81 C82 C83 -178.9(2) no . . .
P3 C81 C86 C85 178.5(3) no . . .
C82 C81 C86 C85 1.0(6) no . . .
C86 C81 C82 C83 -1.5(6) no . . .
C81 C82 C83 C84 0.9(6) no . . .
C82 C83 C84 C85 0.2(7) no . . .
C83 C84 C85 C86 -0.7(7) no . . .
C84 C85 C86 C81 0.1(7) no . . .
P4 C87 C88 C89 -176.6(3) no . . .
P4 C87 C92 C91 175.6(3) no . . .
C88 C87 C92 C91 -2.5(6) no . . .
C92 C87 C88 C89 1.6(6) no . . .
C87 C88 C89 C90 0.7(7) no . . .
C88 C89 C90 C91 -2.1(7) no . . .
C89 C90 C91 C92 1.2(7) no . . .
C90 C91 C92 C87 1.1(7) no . . .
P4 C93 C94 C95 179.1(4) no . . .
P4 C93 C98 C97 179.9(3) no . . .
C94 C93 C98 C97 -1.9(7) no . . .
C98 C93 C94 C95 1.0(8) no . . .
C93 C94 C95 C96 0.8(10) no . . .
C94 C95 C96 C97 -1.8(10) no . . .
C95 C96 C97 C98 0.9(9) no . . .
C96 C97 C98 C93 0.9(8) no . . .
N3 C99 C100 C101 -0.5(6) no . . .
N3 C99 C100 C104 -179.0(3) no . . .
N4 C99 C100 C101 179.2(3) no . . .
N4 C99 C100 C104 0.6(4) no . . .
C99 C100 C101 C102 2.1(6) no . . .
C99 C100 C104 C105 -5.6(4) no . . .
C101 C100 C104 C105 176.1(4) no . . .
C104 C100 C101 C102 -179.7(4) no . . .
C100 C101 C102 C103 -1.4(6) no . . .
C101 C102 C103 N3 -1.1(7) no . . .
C100 C104 C105 N4 8.1(4) no . . .
O2 C106 C107 C108 -10.0(5) no . . .
N4 C106 C107 C108 170.4(3) no . . .
C106 C107 C108 F4 65.2(5) no . . .
C106 C107 C108 F5 -56.9(5) no . . .
C106 C107 C108 F6 -177.4(3) no . . .
O3 C109 C110 C111 35.3(7) no . . .
C109 C110 C111 C112 -32.7(7) no . . .
C110 C111 C112 O3 19.1(6) no . . .
C113 C113 C127 C132 41(4) no 3_576 . .
C127 C113 C113 C127 180(2) no . 3_576 3_576
O6 C114 C116 C121 -22.9(15) no . . .
C114 C116 C121 C122 36.3(15) no . . .
O5 C117 C118 C119 -16.3(10) no . . .
C117 C118 C119 C120 42.7(10) no . . .
C118 C119 C120 O5 -49.2(8) no . . .
C116 C121 C122 O6 -36.4(14) no . . .
O4 C123 C124 C125 -38(2) no . . .
C123 C124 C125 C126 24(2) no . . .
C124 C125 C126 O4 -2(3) no . . .
O7 C128 C129 C130 -34.7(18) no . . .
C128 C129 C130 C131 4.5(17) no . . .
C129 C130 C131 O7 25.1(18) no . . .
