#------------------------------------------------------------------------------
#$Date: 2019-11-25 10:06:17 +0200 (Mon, 25 Nov 2019) $
#$Revision: 240648 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/00/4130061.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_4130061
loop_
_publ_author_name
'Sanada, Kazuma'
'Ube, Hitoshi'
'Shionoya, Mitsuhiko'
_publ_section_title
;
 Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear
 System by Ligand Exchange.
;
_journal_issue                   9
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2945
_journal_page_last               2948
_journal_paper_doi               10.1021/jacs.5b13515
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C138 H149 Cl2 N2 O12 Rh2'
_chemical_formula_sum            'C138 H149 Cl2 N2 O12 Rh2'
_chemical_formula_weight         2304.42
_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                 95.3565(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.3695(3)
_cell_length_b                   32.1947(6)
_cell_length_c                   25.1628(5)
_cell_measurement_reflns_used    77390
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.01
_cell_volume                     13203.2(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    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            125388
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.462
_diffrn_reflns_theta_min         3.008
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.346
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4844.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.210
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.94
_refine_ls_extinction_coef       0.00045(8)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1436
_refine_ls_number_reflns         30111
_refine_ls_number_restraints     959
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0777P)²+14.7326P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1484
_refine_ls_wR_factor_ref         0.1603
_reflns_number_gt                22682
_reflns_number_total             30111
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja5b13515_si_007.cif
_cod_data_source_block           131023
_cod_original_cell_volume        13203.1(4)
_cod_database_code               4130061
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
Rh1 Rh 0.51212(2) 0.29780(2) 0.69537(2) 0.02143(7) Uani 1 4 d .
Rh2 Rh 0.62553(2) 0.30199(2) 0.76278(2) 0.02100(7) Uani 1 4 d .
Cl1 Cl 0.97379(11) 0.33533(6) 0.75009(8) 0.1127(6) Uani 1 4 d .
Cl2 Cl 0.88134(19) 0.39818(6) 0.80062(8) 0.1520(9) Uani 1 4 d .
O1 O 0.44515(12) 0.27296(6) 0.75209(8) 0.0264(4) Uani 1 4 d .
O2 O 0.55076(12) 0.27947(6) 0.81583(8) 0.0260(4) Uani 1 4 d .
O3 O 0.47770(13) 0.35518(6) 0.71770(8) 0.0275(4) Uani 1 4 d .
O4 O 0.58660(12) 0.36074(6) 0.77894(8) 0.0257(4) Uani 1 4 d .
O5 O 0.58774(13) 0.32281(6) 0.64343(8) 0.0269(4) Uani 1 4 d .
O6 O 0.69522(13) 0.32462(6) 0.70624(8) 0.0272(4) Uani 1 4 d .
O7 O 0.54933(13) 0.23990(6) 0.67698(8) 0.0266(4) Uani 1 4 d .
O8 O 0.65466(13) 0.24268(6) 0.74141(8) 0.0274(4) Uani 1 4 d .
O9 O 0.2120(3) 0.31644(14) 0.46908(17) 0.1109(17) Uani 1 4 d .
O10 O 0.17682(17) 0.25471(9) 0.50092(11) 0.0533(7) Uani 1 4 d .
O11 O 0.9811(2) 0.28816(16) 0.95405(18) 0.1103(16) Uani 1 4 d .
O12 O 0.89148(19) 0.31841(14) 1.00428(12) 0.0813(11) Uani 1 4 d .
N1 N 0.40873(16) 0.29473(7) 0.63177(10) 0.0264(5) Uani 1 4 d .
N2 N 0.72789(16) 0.30522(7) 0.82841(10) 0.0257(5) Uani 1 4 d .
C1 C 0.47680(18) 0.27072(8) 0.80000(11) 0.0233(6) Uani 1 4 d .
C2 C 0.42527(18) 0.25570(8) 0.84349(11) 0.0241(6) Uani 1 4 d .
C3 C 0.33171(18) 0.24900(9) 0.82895(12) 0.0256(6) Uani 1 4 d .
C4 C 0.28503(19) 0.25608(10) 0.78092(12) 0.0298(6) Uani 1 4 d .
C5 C 0.2000(2) 0.25097(11) 0.77611(13) 0.0355(7) Uani 1 4 d .
C6 C 0.1519(2) 0.25990(15) 0.72327(15) 0.0532(10) Uani 1 4 d .
C7 C 0.0680(2) 0.23556(14) 0.81734(16) 0.0505(10) Uani 1 4 d .
C8 C 0.1605(2) 0.23887(10) 0.82060(13) 0.0346(7) Uani 1 4 d .
C9 C 0.20761(19) 0.23091(9) 0.86856(12) 0.0298(6) Uani 1 4 d .
C10 C 0.29227(19) 0.23534(9) 0.87282(12) 0.0270(6) Uani 1 4 d .
C11 C 0.34879(19) 0.22870(9) 0.92350(12) 0.0274(6) Uani 1 4 d .
C12 C 0.41605(19) 0.19944(9) 0.90874(12) 0.0271(6) Uani 1 4 d .
C13 C 0.4390(2) 0.16247(10) 0.93368(13) 0.0337(7) Uani 1 4 d .
C14 C 0.5033(2) 0.13879(10) 0.91725(14) 0.0394(8) Uani 1 4 d .
C15 C 0.5295(3) 0.09892(13) 0.94671(19) 0.0666(14) Uani 1 4 d .
C16 C 0.6144(3) 0.12778(12) 0.85406(17) 0.0533(11) Uani 1 4 d .
C17 C 0.5447(2) 0.15246(10) 0.87415(13) 0.0350(7) Uani 1 4 d .
C18 C 0.5221(2) 0.19034(9) 0.84936(12) 0.0293(6) Uani 1 4 d .
C19 C 0.45776(18) 0.21363(9) 0.86634(11) 0.0250(6) Uani 1 4 d .
C20 C 0.43036(18) 0.28594(9) 0.89171(11) 0.0253(6) Uani 1 4 d .
C21 C 0.46584(19) 0.32500(9) 0.89525(12) 0.0288(6) Uani 1 4 d .
C22 C 0.4619(2) 0.34954(10) 0.94061(13) 0.0364(7) Uani 1 4 d .
C23 C 0.4990(3) 0.39280(12) 0.94150(17) 0.0613(12) Uani 1 4 d .
C24 C 0.4138(3) 0.36023(13) 1.03275(16) 0.0572(11) Uani 1 4 d .
C25 C 0.4225(2) 0.33426(10) 0.98358(13) 0.0373(7) Uani 1 4 d .
C26 C 0.3872(2) 0.29461(10) 0.98034(12) 0.0312(7) Uani 1 4 d .
C27 C 0.39002(19) 0.27088(9) 0.93466(12) 0.0267(6) Uani 1 4 d .
C28 C 0.52256(18) 0.37500(8) 0.75298(11) 0.0243(6) Uani 1 4 d .
C29 C 0.49444(19) 0.41943(9) 0.76271(12) 0.0268(6) Uani 1 4 d .
C30 C 0.5480(2) 0.44703(9) 0.80264(12) 0.0309(7) Uani 1 4 d .
C31 C 0.6212(2) 0.43738(10) 0.83270(13) 0.0346(7) Uani 1 4 d .
C32 C 0.6629(2) 0.46714(11) 0.86586(14) 0.0415(8) Uani 1 4 d .
C33 C 0.7420(3) 0.45513(14) 0.89735(17) 0.0577(11) Uani 1 4 d .
C34 C 0.6759(3) 0.54074(12) 0.90225(16) 0.0591(12) Uani 1 4 d .
C35 C 0.6308(3) 0.50756(11) 0.86795(14) 0.0449(9) Uani 1 4 d .
C36 C 0.5578(3) 0.51690(10) 0.83801(14) 0.0421(9) Uani 1 4 d .
C37 C 0.5160(2) 0.48745(9) 0.80571(12) 0.0339(7) Uani 1 4 d .
C38 C 0.4363(2) 0.49477(10) 0.77081(13) 0.0361(8) Uani 1 4 d .
C39 C 0.3776(2) 0.46121(9) 0.78658(13) 0.0341(7) Uani 1 4 d .
C40 C 0.3018(2) 0.46773(11) 0.80528(14) 0.0425(9) Uani 1 4 d .
C41 C 0.2534(2) 0.43434(11) 0.81944(15) 0.0448(9) Uani 1 4 d .
C42 C 0.1709(3) 0.44226(14) 0.8402(2) 0.0645(13) Uani 1 4 d .
C43 C 0.2330(2) 0.35681(11) 0.82861(16) 0.0465(9) Uani 1 4 d .
C44 C 0.2830(2) 0.39367(10) 0.81451(13) 0.0371(7) Uani 1 4 d .
C45 C 0.3599(2) 0.38744(9) 0.79554(12) 0.0306(7) Uani 1 4 d .
C46 C 0.4077(2) 0.42072(9) 0.78203(12) 0.0304(7) Uani 1 4 d .
C47 C 0.48842(19) 0.44436(9) 0.70959(12) 0.0281(6) Uani 1 4 d .
C48 C 0.51358(19) 0.43157(9) 0.66137(12) 0.0291(6) Uani 1 4 d .
C49 C 0.5074(2) 0.45821(10) 0.61708(13) 0.0374(8) Uani 1 4 d .
C50 C 0.5383(3) 0.44330(12) 0.56556(14) 0.0527(10) Uani 1 4 d .
C51 C 0.4662(3) 0.52712(12) 0.57459(16) 0.0590(12) Uani 1 4 d .
C52 C 0.4738(3) 0.49790(10) 0.62156(14) 0.0406(8) Uani 1 4 d .
C53 C 0.4480(2) 0.51023(10) 0.67043(13) 0.0363(7) Uani 1 4 d .
C54 C 0.4560(2) 0.48413(9) 0.71427(13) 0.0327(7) Uani 1 4 d .
C55 C 0.66297(19) 0.32931(8) 0.65877(11) 0.0253(6) Uani 1 4 d .
C56 C 0.72085(19) 0.34513(9) 0.61898(12) 0.0269(6) Uani 1 4 d .
C57 C 0.6877(2) 0.34903(9) 0.55940(12) 0.0311(7) Uani 1 4 d .
C58 C 0.6112(2) 0.33857(10) 0.53471(13) 0.0352(7) Uani 1 4 d .
C59 C 0.5913(2) 0.34475(11) 0.47934(13) 0.0422(8) Uani 1 4 d .
C60 C 0.5072(3) 0.33302(15) 0.45528(16) 0.0598(12) Uani 1 4 d .
C61 C 0.6315(3) 0.36948(13) 0.38941(14) 0.0589(12) Uani 1 4 d .
C62 C 0.6499(3) 0.36151(11) 0.44889(13) 0.0435(9) Uani 1 4 d .
C63 C 0.7272(3) 0.37114(10) 0.47334(13) 0.0415(9) Uani 1 4 d .
C64 C 0.7470(2) 0.36498(9) 0.52814(12) 0.0343(7) Uani 1 4 d .
C65 C 0.8291(2) 0.37351(10) 0.55834(13) 0.0349(7) Uani 1 4 d .
C66 C 0.8120(2) 0.40331(10) 0.60303(13) 0.0346(7) Uani 1 4 d .
C67 C 0.8486(3) 0.44187(10) 0.61273(15) 0.0459(9) Uani 1 4 d .
C68 C 0.8259(3) 0.46714(10) 0.65420(15) 0.0461(9) Uani 1 4 d .
C69 C 0.8675(3) 0.50857(12) 0.6644(2) 0.0685(14) Uani 1 4 d .
C70 C 0.7375(3) 0.48032(11) 0.72940(16) 0.0519(10) Uani 1 4 d .
C71 C 0.7656(3) 0.45336(10) 0.68521(14) 0.0411(8) Uani 1 4 d .
C72 C 0.7296(2) 0.41407(9) 0.67574(13) 0.0326(7) Uani 1 4 d .
C73 C 0.7532(2) 0.38907(9) 0.63498(12) 0.0301(6) Uani 1 4 d .
C74 C 0.79726(19) 0.31700(9) 0.61818(11) 0.0271(6) Uani 1 4 d .
C75 C 0.8121(2) 0.27939(9) 0.64383(12) 0.0298(6) Uani 1 4 d .
C76 C 0.8837(2) 0.25644(10) 0.63734(13) 0.0340(7) Uani 1 4 d .
C77 C 0.8965(3) 0.21555(12) 0.66637(16) 0.0486(9) Uani 1 4 d .
C78 C 1.0179(2) 0.24838(13) 0.59434(15) 0.0461(9) Uani 1 4 d .
C79 C 0.9410(2) 0.27196(10) 0.60398(13) 0.0344(7) Uani 1 4 d .
C80 C 0.9259(2) 0.31022(10) 0.57852(13) 0.0344(7) Uani 1 4 d .
C81 C 0.8547(2) 0.33263(9) 0.58512(12) 0.0303(6) Uani 1 4 d .
C82 C 0.61077(19) 0.22416(8) 0.70455(11) 0.0249(6) Uani 1 4 d .
C83 C 0.63012(19) 0.17925(8) 0.69086(12) 0.0263(6) Uani 1 4 d .
C84 C 0.70387(19) 0.15747(9) 0.72207(12) 0.0265(6) Uani 1 4 d .
C85 C 0.7564(2) 0.17259(9) 0.76421(12) 0.0312(7) Uani 1 4 d .
C86 C 0.8202(2) 0.14786(10) 0.78825(14) 0.0359(7) Uani 1 4 d .
C87 C 0.8735(3) 0.16511(12) 0.83530(17) 0.0535(10) Uani 1 4 d .
C88 C 0.9006(3) 0.08050(11) 0.79455(18) 0.0521(10) Uani 1 4 d .
C89 C 0.8323(2) 0.10760(10) 0.76986(14) 0.0372(7) Uani 1 4 d .
C90 C 0.7784(2) 0.09251(9) 0.72765(13) 0.0347(7) Uani 1 4 d .
C91 C 0.7148(2) 0.11661(9) 0.70449(12) 0.0306(7) Uani 1 4 d .
C92 C 0.6510(2) 0.10261(9) 0.66073(12) 0.0323(7) Uani 1 4 d .
C93 C 0.6558(2) 0.13360(9) 0.61537(12) 0.0307(7) Uani 1 4 d .
C94 C 0.6698(2) 0.12475(10) 0.56344(13) 0.0338(7) Uani 1 4 d .
C95 C 0.6757(2) 0.15633(10) 0.52583(13) 0.0341(7) Uani 1 4 d .
C96 C 0.6882(3) 0.14548(12) 0.46877(14) 0.0443(9) Uani 1 4 d .
C97 C 0.6743(2) 0.23327(11) 0.50305(14) 0.0394(8) Uani 1 4 d .
C98 C 0.6691(2) 0.19787(9) 0.54221(13) 0.0312(7) Uani 1 4 d .
C99 C 0.6536(2) 0.20657(9) 0.59483(12) 0.0299(6) Uani 1 4 d .
C100 C 0.64623(19) 0.17495(9) 0.63124(12) 0.0265(6) Uani 1 4 d .
C101 C 0.5561(2) 0.15029(9) 0.69869(12) 0.0297(6) Uani 1 4 d .
C102 C 0.4848(2) 0.16048(10) 0.72136(13) 0.0349(7) Uani 1 4 d .
C103 C 0.4273(2) 0.13014(11) 0.73175(16) 0.0443(9) Uani 1 4 d .
C104 C 0.3536(3) 0.14199(13) 0.7605(2) 0.0628(12) Uani 1 4 d .
C105 C 0.3829(3) 0.05426(14) 0.7297(3) 0.0849(18) Uani 1 4 d .
C106 C 0.4411(3) 0.08876(11) 0.71711(17) 0.0515(10) Uani 1 4 d .
C107 C 0.5114(2) 0.07912(10) 0.69249(15) 0.0440(9) Uani 1 4 d .
C108 C 0.5690(2) 0.10936(9) 0.68343(13) 0.0326(7) Uani 1 4 d .
C109 C 0.3970(2) 0.32533(11) 0.59649(15) 0.0462(9) Uani 1 4 d .
C110 C 0.3374(3) 0.32418(13) 0.55393(17) 0.0551(11) Uani 1 4 d .
C111 C 0.2874(2) 0.28982(12) 0.54725(14) 0.0426(8) Uani 1 4 d .
C112 C 0.2988(2) 0.25782(11) 0.58364(15) 0.0443(8) Uani 1 4 d .
C113 C 0.3609(2) 0.26153(11) 0.62511(14) 0.0408(8) Uani 1 4 d .
C114 C 0.2222(3) 0.28877(15) 0.50113(17) 0.0579(11) Uani 1 4 d .
C115 C 0.1089(3) 0.25259(16) 0.45875(18) 0.0636(12) Uani 1 4 d .
C116 C 0.8015(2) 0.29033(12) 0.82305(15) 0.0417(8) Uani 1 4 d .
C117 C 0.8636(3) 0.28942(14) 0.86502(18) 0.0539(10) Uani 1 4 d .
C118 C 0.8472(2) 0.30414(12) 0.91437(15) 0.0447(9) Uani 1 4 d .
C119 C 0.7703(2) 0.32045(13) 0.91980(15) 0.0476(9) Uani 1 4 d .
C120 C 0.7126(2) 0.32039(12) 0.87587(13) 0.0403(8) Uani 1 4 d .
C121 C 0.9146(3) 0.30178(16) 0.9595(2) 0.0652(13) Uani 1 4 d .
C122 C 0.9554(3) 0.3179(3) 1.0496(2) 0.106(2) Uani 1 4 d .
C123 C 0.8937(4) 0.36995(17) 0.7436(2) 0.0778(13) Uani 1 4 d .
C124 C 0.5437(5) 0.5019(2) 1.0011(4) 0.137(3) Uani 1 4 d .
C125 C 0.5921(6) 0.4921(3) 1.0528(4) 0.179(4) Uani 1 4 d .
C126 C 0.6863(8) 0.5038(5) 1.0535(3) 0.241(6) Uani 1 4 d .
C127 C 0.3028(6) 0.4276(3) 0.4500(4) 0.164(3) Uani 1 4 d .
C128 C 0.2893(8) 0.4519(3) 0.4947(5) 0.205(3) Uani 1 4 d .
C129 C 0.2297(8) 0.4810(3) 0.5010(5) 0.207(3) Uani 1 4 d .
C130 C 0.2261(8) 0.5018(4) 0.5487(5) 0.213(3) Uani 1 4 d .
C131 C 0.1677(9) 0.5266(4) 0.5651(5) 0.224(3) Uani 1 4 d .
C132 C 0.1743(8) 0.5454(3) 0.6167(4) 0.214(4) Uani 1 4 d .
C133 C 0.0749(8) 0.4426(4) 0.6886(5) 0.216(4) Uani 1 4 d .
C134 C 0.1303(8) 0.4139(5) 0.6694(6) 0.245(4) Uani 1 4 d .
C135 C 0.0837(8) 0.3924(4) 0.6241(6) 0.241(4) Uani 1 4 d .
C136 C 0.1466(8) 0.3603(4) 0.6187(6) 0.240(4) Uani 1 4 d .
C137 C 0.2224(8) 0.3668(4) 0.6595(6) 0.245(4) Uani 1 4 d .
C138 C 0.2219(8) 0.4140(4) 0.6655(6) 0.245(4) Uani 1 4 d .
H4 H 0.31148 0.26458 0.75068 0.0357 Uiso 1 4 calc R
H6A H 0.18984 0.26504 0.69611 0.0639 Uiso 1 4 calc R
H6B H 0.11739 0.28447 0.72672 0.0639 Uiso 1 4 calc R
H6C H 0.11704 0.23599 0.71264 0.0639 Uiso 1 4 calc R
H7A H 0.05101 0.22934 0.8528 0.0606 Uiso 1 4 calc R
H7B H 0.04959 0.21327 0.79254 0.0606 Uiso 1 4 calc R
H7C H 0.04355 0.26193 0.80457 0.0606 Uiso 1 4 calc R
H9 H 0.18132 0.22231 0.89881 0.0358 Uiso 1 4 calc R
H10A H 0.30369 0.1309 0.741 0.0754 Uiso 1 4 calc R
H10B H 0.34972 0.17232 0.76243 0.0754 Uiso 1 4 calc R
H10C H 0.3596 0.13044 0.79668 0.0754 Uiso 1 4 calc R
H10D H 0.40672 0.02736 0.72145 0.1018 Uiso 1 4 calc R
H10E H 0.33035 0.05787 0.70818 0.1018 Uiso 1 4 calc R
H10F H 0.37407 0.05524 0.76769 0.1018 Uiso 1 4 calc R
H11 H 0.31938 0.21832 0.95397 0.0328 Uiso 1 4 calc R
H11A H 0.13049 0.25493 0.42383 0.0763 Uiso 1 4 calc R
H11B H 0.07055 0.27542 0.4632 0.0763 Uiso 1 4 calc R
H11C H 0.08029 0.22601 0.461 0.0763 Uiso 1 4 calc R
H12A H 0.97109 0.28915 1.0582 0.1269 Uiso 1 4 calc R
H12B H 0.93403 0.33091 1.08072 0.1269 Uiso 1 4 calc R
H12C H 1.00348 0.33337 1.04009 0.1269 Uiso 1 4 calc R
H12D H 0.8424 0.35451 0.73323 0.0934 Uiso 1 4 calc R
H12E H 0.90255 0.38951 0.7143 0.0934 Uiso 1 4 calc R
H12F H 0.30057 0.4453 0.4182 0.1967 Uiso 1 4 calc R
H12G H 0.26041 0.40611 0.44499 0.1967 Uiso 1 4 calc R
H12H H 0.35694 0.41445 0.45559 0.1967 Uiso 1 4 calc R
H12I H 0.28436 0.43165 0.52384 0.2455 Uiso 1 4 calc R
H12J H 0.3418 0.46665 0.50391 0.2455 Uiso 1 4 calc R
H12K H 0.17608 0.46711 0.49278 0.2489 Uiso 1 4 calc R
H12L H 0.23413 0.50239 0.47312 0.2489 Uiso 1 4 calc R
H12M H 0.55664 0.53078 0.99123 0.1644 Uiso 1 4 calc R
H12N H 0.56311 0.48349 0.97336 0.1644 Uiso 1 4 calc R
H12O H 0.58722 0.46203 1.06012 0.2152 Uiso 1 4 calc R
H12P H 0.56822 0.50738 1.0818 0.2152 Uiso 1 4 calc R
H12Q H 0.70814 0.49257 1.02147 0.2893 Uiso 1 4 calc R
H12R H 0.71654 0.49188 1.08534 0.2893 Uiso 1 4 calc R
H12S H 0.69238 0.53405 1.05406 0.2893 Uiso 1 4 calc R
H13 H 0.41041 0.15302 0.96254 0.0405 Uiso 1 4 calc R
H13A H 0.23367 0.47986 0.57632 0.2558 Uiso 1 4 calc R
H13B H 0.27683 0.51869 0.55277 0.2558 Uiso 1 4 calc R
H13C H 0.11616 0.51038 0.562 0.2688 Uiso 1 4 calc R
H13D H 0.16005 0.54949 0.53882 0.2688 Uiso 1 4 calc R
H13E H 0.17862 0.57558 0.61294 0.2571 Uiso 1 4 calc R
H13F H 0.2233 0.53481 0.63772 0.2571 Uiso 1 4 calc R
H13G H 0.1255 0.53864 0.63476 0.2571 Uiso 1 4 calc R
H13H H 0.033 0.42755 0.70639 0.2593 Uiso 1 4 calc R
H13I H 0.04857 0.45866 0.65876 0.2593 Uiso 1 4 calc R
H13J H 0.1048 0.46135 0.7142 0.2593 Uiso 1 4 calc R
H13K H 0.03107 0.38073 0.63363 0.2893 Uiso 1 4 calc R
H13L H 0.07435 0.4102 0.59199 0.2893 Uiso 1 4 calc R
H13M H 0.16403 0.36112 0.58206 0.2878 Uiso 1 4 calc R
H13N H 0.12268 0.33254 0.62424 0.2878 Uiso 1 4 calc R
H13O H 0.21561 0.35267 0.69378 0.2936 Uiso 1 4 calc R
H13P H 0.27336 0.35689 0.64536 0.2936 Uiso 1 4 calc R
H13Q H 0.25387 0.42395 0.69838 0.2936 Uiso 1 4 calc R
H13R H 0.23827 0.42888 0.63378 0.2936 Uiso 1 4 calc R
H15A H 0.52598 0.07563 0.92153 0.0799 Uiso 1 4 calc R
H15B H 0.49314 0.09372 0.97482 0.0799 Uiso 1 4 calc R
H15C H 0.58608 0.10177 0.96273 0.0799 Uiso 1 4 calc R
H16A H 0.59626 0.09922 0.84637 0.0640 Uiso 1 4 calc R
H16B H 0.66118 0.12751 0.8814 0.0640 Uiso 1 4 calc R
H16C H 0.63096 0.14064 0.82142 0.0640 Uiso 1 4 calc R
H18 H 0.55088 0.20016 0.82078 0.0352 Uiso 1 4 calc R
H21 H 0.49334 0.33524 0.86632 0.0345 Uiso 1 4 calc R
H23A H 0.52433 0.39763 0.90826 0.0736 Uiso 1 4 calc R
H23B H 0.54079 0.39522 0.97188 0.0736 Uiso 1 4 calc R
H23C H 0.45588 0.41348 0.94495 0.0736 Uiso 1 4 calc R
H24A H 0.38083 0.3451 1.05697 0.0686 Uiso 1 4 calc R
H24B H 0.38656 0.3865 1.02231 0.0686 Uiso 1 4 calc R
H24C H 0.46821 0.36595 1.05086 0.0686 Uiso 1 4 calc R
H26 H 0.36123 0.28393 1.00966 0.0374 Uiso 1 4 calc R
H31 H 0.64341 0.41022 0.83077 0.0415 Uiso 1 4 calc R
H33A H 0.75178 0.42535 0.89296 0.0692 Uiso 1 4 calc R
H33B H 0.73844 0.46131 0.9352 0.0692 Uiso 1 4 calc R
H33C H 0.78737 0.47092 0.88442 0.0692 Uiso 1 4 calc R
H34A H 0.67472 0.53361 0.94004 0.0709 Uiso 1 4 calc R
H34B H 0.64916 0.56766 0.89522 0.0709 Uiso 1 4 calc R
H34C H 0.73299 0.54231 0.89361 0.0709 Uiso 1 4 calc R
H36 H 0.5359 0.54414 0.83961 0.0505 Uiso 1 4 calc R
H38 H 0.41422 0.52353 0.77406 0.0433 Uiso 1 4 calc R
H40 H 0.28223 0.49531 0.80857 0.0510 Uiso 1 4 calc R
H42A H 0.16228 0.47225 0.84335 0.0774 Uiso 1 4 calc R
H42B H 0.16958 0.42921 0.87527 0.0774 Uiso 1 4 calc R
H42C H 0.12736 0.43044 0.8153 0.0774 Uiso 1 4 calc R
H43A H 0.26695 0.33172 0.82911 0.0558 Uiso 1 4 calc R
H43B H 0.18575 0.35363 0.80199 0.0558 Uiso 1 4 calc R
H43C H 0.21368 0.36103 0.86392 0.0558 Uiso 1 4 calc R
H45 H 0.37961 0.35994 0.79187 0.0367 Uiso 1 4 calc R
H48 H 0.53533 0.40443 0.65815 0.0349 Uiso 1 4 calc R
H50A H 0.49218 0.4414 0.53785 0.0633 Uiso 1 4 calc R
H50B H 0.56357 0.41587 0.57116 0.0633 Uiso 1 4 calc R
H50C H 0.57896 0.46296 0.5543 0.0633 Uiso 1 4 calc R
H51A H 0.44056 0.55309 0.58479 0.0707 Uiso 1 4 calc R
H51B H 0.43217 0.51427 0.54493 0.0707 Uiso 1 4 calc R
H51C H 0.5208 0.53302 0.56349 0.0707 Uiso 1 4 calc R
H53 H 0.42446 0.53699 0.67365 0.0435 Uiso 1 4 calc R
H58 H 0.57123 0.327 0.55543 0.0422 Uiso 1 4 calc R
H60A H 0.47753 0.31892 0.48215 0.0718 Uiso 1 4 calc R
H60B H 0.51188 0.31435 0.42494 0.0718 Uiso 1 4 calc R
H60C H 0.47722 0.35811 0.44301 0.0718 Uiso 1 4 calc R
H61A H 0.581 0.38582 0.38324 0.0707 Uiso 1 4 calc R
H61B H 0.62451 0.34291 0.37053 0.0707 Uiso 1 4 calc R
H61C H 0.67711 0.38484 0.37613 0.0707 Uiso 1 4 calc R
H63 H 0.76752 0.38214 0.45244 0.0498 Uiso 1 4 calc R
H65 H 0.87052 0.38446 0.53509 0.0419 Uiso 1 4 calc R
H67 H 0.88937 0.45117 0.59101 0.0551 Uiso 1 4 calc R
H69A H 0.82585 0.53048 0.66422 0.0822 Uiso 1 4 calc R
H69B H 0.90375 0.51413 0.63637 0.0822 Uiso 1 4 calc R
H69C H 0.89975 0.50804 0.69919 0.0822 Uiso 1 4 calc R
H70A H 0.68885 0.46788 0.74293 0.0623 Uiso 1 4 calc R
H70B H 0.72383 0.50812 0.71537 0.0623 Uiso 1 4 calc R
H70C H 0.78151 0.4824 0.75845 0.0623 Uiso 1 4 calc R
H72 H 0.68886 0.4046 0.6974 0.0392 Uiso 1 4 calc R
H75 H 0.77335 0.26886 0.66623 0.0358 Uiso 1 4 calc R
H77A H 0.84531 0.20714 0.68065 0.0583 Uiso 1 4 calc R
H77B H 0.93972 0.21867 0.69576 0.0583 Uiso 1 4 calc R
H77C H 0.91273 0.19431 0.64152 0.0583 Uiso 1 4 calc R
H78A H 1.0032 0.22308 0.574 0.0553 Uiso 1 4 calc R
H78B H 1.04753 0.2409 0.62866 0.0553 Uiso 1 4 calc R
H78C H 1.05303 0.26585 0.5741 0.0553 Uiso 1 4 calc R
H80 H 0.9648 0.32108 0.55643 0.0413 Uiso 1 4 calc R
H85 H 0.74914 0.2 0.7769 0.0374 Uiso 1 4 calc R
H87A H 0.86908 0.14735 0.86654 0.0642 Uiso 1 4 calc R
H87B H 0.85541 0.19329 0.84308 0.0642 Uiso 1 4 calc R
H87C H 0.93075 0.16588 0.82683 0.0642 Uiso 1 4 calc R
H88A H 0.89066 0.07388 0.8314 0.0625 Uiso 1 4 calc R
H88B H 0.95299 0.09524 0.79434 0.0625 Uiso 1 4 calc R
H88C H 0.90273 0.05475 0.77396 0.0625 Uiso 1 4 calc R
H90 H 0.78568 0.06517 0.71472 0.0416 Uiso 1 4 calc R
H92 H 0.6592 0.07325 0.64939 0.0388 Uiso 1 4 calc R
H94 H 0.67546 0.09663 0.55295 0.0405 Uiso 1 4 calc R
H96A H 0.64354 0.15742 0.44489 0.0531 Uiso 1 4 calc R
H96B H 0.6883 0.11522 0.46462 0.0531 Uiso 1 4 calc R
H96C H 0.74074 0.15677 0.45978 0.0531 Uiso 1 4 calc R
H97A H 0.62001 0.23831 0.48436 0.0472 Uiso 1 4 calc R
H97B H 0.71301 0.22599 0.47707 0.0472 Uiso 1 4 calc R
H97C H 0.69336 0.25841 0.52238 0.0472 Uiso 1 4 calc R
H99 H 0.64813 0.23461 0.60568 0.0358 Uiso 1 4 calc R
H102 H 0.47473 0.18864 0.73 0.0418 Uiso 1 4 calc R
H107 H 0.52008 0.05132 0.68167 0.0528 Uiso 1 4 calc R
H109 H 0.43116 0.34915 0.60078 0.0554 Uiso 1 4 calc R
H110 H 0.33107 0.34676 0.52959 0.0662 Uiso 1 4 calc R
H112 H 0.26509 0.23377 0.58046 0.0531 Uiso 1 4 calc R
H113 H 0.36932 0.23927 0.64979 0.0490 Uiso 1 4 calc R
H116 H 0.81282 0.27977 0.78927 0.0500 Uiso 1 4 calc R
H117 H 0.91636 0.27883 0.85965 0.0647 Uiso 1 4 calc R
H119 H 0.7573 0.33148 0.953 0.0571 Uiso 1 4 calc R
H120 H 0.65986 0.33166 0.87968 0.0484 Uiso 1 4 calc R
H134 H 0.12764 0.39179 0.69712 0.2934 Uiso 1 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 0.0033 0.0016
;
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)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
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
Rh2 Rh1 O1 87.61(6) yes .
Rh2 Rh1 O3 88.25(6) yes .
Rh2 Rh1 O5 87.43(6) yes .
Rh2 Rh1 O7 89.08(6) yes .
Rh2 Rh1 N1 178.73(7) yes .
O1 Rh1 O3 88.96(8) yes .
O1 Rh1 O5 175.04(8) yes .
O1 Rh1 O7 89.53(8) yes .
O1 Rh1 N1 93.64(9) yes .
O3 Rh1 O5 91.08(9) yes .
O3 Rh1 O7 176.99(8) yes .
O3 Rh1 N1 91.57(8) yes .
O5 Rh1 O7 90.20(8) yes .
O5 Rh1 N1 91.32(9) yes .
O7 Rh1 N1 91.12(8) yes .
Rh1 Rh2 O2 88.31(6) yes .
Rh1 Rh2 O4 87.58(6) yes .
Rh1 Rh2 O6 88.46(6) yes .
Rh1 Rh2 O8 86.89(6) yes .
Rh1 Rh2 N2 177.56(7) yes .
O2 Rh2 O4 88.93(8) yes .
O2 Rh2 O6 176.77(8) yes .
O2 Rh2 O8 90.52(8) yes .
O2 Rh2 N2 89.27(9) yes .
O4 Rh2 O6 90.76(8) yes .
O4 Rh2 O8 174.46(8) yes .
O4 Rh2 N2 92.06(8) yes .
O6 Rh2 O8 89.47(8) yes .
O6 Rh2 N2 93.96(9) yes .
O8 Rh2 N2 93.45(8) yes .
Rh1 O1 C1 119.21(18) yes .
Rh2 O2 C1 119.28(18) yes .
Rh1 O3 C28 119.63(18) yes .
Rh2 O4 C28 119.30(17) yes .
Rh1 O5 C55 119.77(18) yes .
Rh2 O6 C55 119.24(19) yes .
Rh1 O7 C82 118.72(17) yes .
Rh2 O8 C82 119.98(18) yes .
C114 O10 C115 115.4(3) yes .
C121 O12 C122 114.3(4) yes .
Rh1 N1 C109 120.1(2) yes .
Rh1 N1 C113 121.9(2) yes .
C109 N1 C113 117.8(3) yes .
Rh2 N2 C116 122.4(2) yes .
Rh2 N2 C120 119.1(2) yes .
C116 N2 C120 118.3(3) yes .
O1 C1 O2 125.3(3) yes .
O1 C1 C2 119.8(2) yes .
O2 C1 C2 114.9(2) yes .
C1 C2 C3 118.3(2) yes .
C1 C2 C19 110.6(2) yes .
C1 C2 C20 111.7(2) yes .
C3 C2 C19 105.2(2) yes .
C3 C2 C20 104.5(2) yes .
C19 C2 C20 105.5(2) yes .
C2 C3 C4 129.2(3) yes .
C2 C3 C10 112.0(2) yes .
C4 C3 C10 118.8(3) yes .
C3 C4 C5 121.3(3) yes .
C4 C5 C6 119.3(3) yes .
C4 C5 C8 119.7(3) yes .
C6 C5 C8 121.1(3) yes .
C5 C8 C7 120.7(3) yes .
C5 C8 C9 119.0(3) yes .
C7 C8 C9 120.3(3) yes .
C8 C9 C10 121.1(3) yes .
C3 C10 C9 120.1(3) yes .
C3 C10 C11 114.6(3) yes .
C9 C10 C11 125.2(3) yes .
C10 C11 C12 106.3(2) yes .
C10 C11 C27 104.6(2) yes .
C12 C11 C27 106.1(2) yes .
C11 C12 C13 126.5(3) yes .
C11 C12 C19 113.6(3) yes .
C13 C12 C19 119.8(3) yes .
C12 C13 C14 121.2(3) yes .
C13 C14 C15 120.2(3) yes .
C13 C14 C17 119.4(3) yes .
C15 C14 C17 120.4(3) yes .
C14 C17 C16 121.8(3) yes .
C14 C17 C18 119.3(3) yes .
C16 C17 C18 118.9(3) yes .
C17 C18 C19 120.5(3) yes .
C2 C19 C12 113.3(3) yes .
C2 C19 C18 127.0(3) yes .
C12 C19 C18 119.8(3) yes .
C2 C20 C21 127.7(3) yes .
C2 C20 C27 113.0(2) yes .
C21 C20 C27 119.2(3) yes .
C20 C21 C22 121.1(3) yes .
C21 C22 C23 118.8(3) yes .
C21 C22 C25 119.6(3) yes .
C23 C22 C25 121.6(3) yes .
C22 C25 C24 121.6(3) yes .
C22 C25 C26 119.5(3) yes .
C24 C25 C26 118.8(3) yes .
C25 C26 C27 120.4(3) yes .
C11 C27 C20 113.3(3) yes .
C11 C27 C26 126.4(3) yes .
C20 C27 C26 120.2(3) yes .
O3 C28 O4 125.1(2) yes .
O3 C28 C29 114.8(2) yes .
O4 C28 C29 120.2(2) yes .
C28 C29 C30 118.6(2) yes .
C28 C29 C46 112.0(2) yes .
C28 C29 C47 109.9(2) yes .
C30 C29 C46 105.2(2) yes .
C30 C29 C47 104.4(2) yes .
C46 C29 C47 105.7(2) yes .
C29 C30 C31 129.1(3) yes .
C29 C30 C37 112.0(3) yes .
C31 C30 C37 118.9(3) yes .
C30 C31 C32 121.1(3) yes .
C31 C32 C33 119.0(3) yes .
C31 C32 C35 119.4(3) yes .
C33 C32 C35 121.7(3) yes .
C32 C35 C34 120.5(4) yes .
C32 C35 C36 119.2(3) yes .
C34 C35 C36 120.3(3) yes .
C35 C36 C37 121.6(3) yes .
C30 C37 C36 119.9(3) yes .
C30 C37 C38 114.5(3) yes .
C36 C37 C38 125.6(3) yes .
C37 C38 C39 105.5(3) yes .
C37 C38 C54 105.0(3) yes .
C39 C38 C54 106.1(3) yes .
C38 C39 C40 126.1(3) yes .
C38 C39 C46 113.7(3) yes .
C40 C39 C46 120.2(3) yes .
C39 C40 C41 121.1(3) yes .
C40 C41 C42 120.1(3) yes .
C40 C41 C44 119.0(4) yes .
C42 C41 C44 120.8(3) yes .
C41 C44 C43 121.0(3) yes .
C41 C44 C45 119.4(3) yes .
C43 C44 C45 119.6(3) yes .
C44 C45 C46 121.2(3) yes .
C29 C46 C39 113.1(3) yes .
C29 C46 C45 127.8(3) yes .
C39 C46 C45 119.1(3) yes .
C29 C47 C48 127.0(3) yes .
C29 C47 C54 113.3(3) yes .
C48 C47 C54 119.7(3) yes .
C47 C48 C49 120.7(3) yes .
C48 C49 C50 118.8(3) yes .
C48 C49 C52 119.6(3) yes .
C50 C49 C52 121.6(3) yes .
C49 C52 C51 120.8(3) yes .
C49 C52 C53 119.0(3) yes .
C51 C52 C53 120.3(3) yes .
C52 C53 C54 121.1(3) yes .
C38 C54 C47 113.6(3) yes .
C38 C54 C53 126.5(3) yes .
C47 C54 C53 119.9(3) yes .
O5 C55 O6 124.9(3) yes .
O5 C55 C56 119.8(2) yes .
O6 C55 C56 115.3(3) yes .
C55 C56 C57 118.5(3) yes .
C55 C56 C73 110.6(2) yes .
C55 C56 C74 111.4(2) yes .
C57 C56 C73 104.9(2) yes .
C57 C56 C74 104.2(2) yes .
C73 C56 C74 106.3(2) yes .
C56 C57 C58 129.3(3) yes .
C56 C57 C64 111.9(3) yes .
C58 C57 C64 118.8(3) yes .
C57 C58 C59 121.5(3) yes .
C58 C59 C60 118.7(3) yes .
C58 C59 C62 119.3(3) yes .
C60 C59 C62 122.0(3) yes .
C59 C62 C61 121.6(4) yes .
C59 C62 C63 119.3(3) yes .
C61 C62 C63 119.1(4) yes .
C62 C63 C64 121.4(3) yes .
C57 C64 C63 119.7(3) yes .
C57 C64 C65 114.5(3) yes .
C63 C64 C65 125.8(3) yes .
C64 C65 C66 105.7(3) yes .
C64 C65 C81 105.2(3) yes .
C66 C65 C81 106.3(3) yes .
C65 C66 C67 125.9(3) yes .
C65 C66 C73 113.9(3) yes .
C67 C66 C73 120.3(3) yes .
C66 C67 C68 120.6(4) yes .
C67 C68 C69 119.6(4) yes .
C67 C68 C71 119.1(3) yes .
C69 C68 C71 121.4(4) yes .
C68 C71 C70 120.7(3) yes .
C68 C71 C72 120.1(3) yes .
C70 C71 C72 119.2(3) yes .
C71 C72 C73 120.4(3) yes .
C56 C73 C66 112.9(3) yes .
C56 C73 C72 127.6(3) yes .
C66 C73 C72 119.5(3) yes .
C56 C74 C75 127.9(3) yes .
C56 C74 C81 112.6(2) yes .
C75 C74 C81 119.4(3) yes .
C74 C75 C76 121.2(3) yes .
C75 C76 C77 118.7(3) yes .
C75 C76 C79 119.4(3) yes .
C77 C76 C79 121.9(3) yes .
C76 C79 C78 122.0(3) yes .
C76 C79 C80 119.1(3) yes .
C78 C79 C80 118.9(3) yes .
C79 C80 C81 120.9(3) yes .
C65 C81 C74 113.7(3) yes .
C65 C81 C80 126.4(3) yes .
C74 C81 C80 119.9(3) yes .
O7 C82 O8 125.2(2) yes .
O7 C82 C83 115.1(2) yes .
O8 C82 C83 119.7(2) yes .
C82 C83 C84 118.9(2) yes .
C82 C83 C100 111.1(2) yes .
C82 C83 C101 111.0(3) yes .
C84 C83 C100 104.8(2) yes .
C84 C83 C101 104.2(2) yes .
C100 C83 C101 105.9(2) yes .
C83 C84 C85 128.9(3) yes .
C83 C84 C91 112.4(2) yes .
C85 C84 C91 118.7(3) yes .
C84 C85 C86 120.8(3) yes .
C85 C86 C87 118.8(3) yes .
C85 C86 C89 120.4(3) yes .
C87 C86 C89 120.8(3) yes .
C86 C89 C88 121.6(3) yes .
C86 C89 C90 118.2(3) yes .
C88 C89 C90 120.2(3) yes .
C89 C90 C91 121.4(3) yes .
C84 C91 C90 120.4(3) yes .
C84 C91 C92 114.1(3) yes .
C90 C91 C92 125.5(3) yes .
C91 C92 C93 105.7(2) yes .
C91 C92 C108 104.9(3) yes .
C93 C92 C108 107.2(3) yes .
C92 C93 C94 126.9(3) yes .
C92 C93 C100 113.2(3) yes .
C94 C93 C100 120.0(3) yes .
C93 C94 C95 121.3(3) yes .
C94 C95 C96 120.0(3) yes .
C94 C95 C98 118.7(3) yes .
C96 C95 C98 121.3(3) yes .
C95 C98 C97 121.0(3) yes .
C95 C98 C99 119.5(3) yes .
C97 C98 C99 119.4(3) yes .
C98 C99 C100 121.0(3) yes .
C83 C100 C93 113.1(2) yes .
C83 C100 C99 127.4(3) yes .
C93 C100 C99 119.4(3) yes .
C83 C101 C102 127.3(3) yes .
C83 C101 C108 113.0(3) yes .
C102 C101 C108 119.5(3) yes .
C101 C102 C103 121.3(3) yes .
C102 C103 C104 119.6(3) yes .
C102 C103 C106 119.1(4) yes .
C104 C103 C106 121.3(4) yes .
C103 C106 C105 121.4(4) yes .
C103 C106 C107 119.2(4) yes .
C105 C106 C107 119.4(3) yes .
C106 C107 C108 121.3(3) yes .
C92 C108 C101 113.6(3) yes .
C92 C108 C107 126.7(3) yes .
C101 C108 C107 119.6(3) yes .
N1 C109 C110 123.2(3) yes .
C109 C110 C111 119.0(4) yes .
C110 C111 C112 118.4(3) yes .
C110 C111 C114 119.0(4) yes .
C112 C111 C114 122.6(4) yes .
C111 C112 C113 118.6(3) yes .
N1 C113 C112 123.0(3) yes .
O9 C114 O10 124.6(4) yes .
O9 C114 C111 123.1(4) yes .
O10 C114 C111 112.3(4) yes .
N2 C116 C117 122.7(4) yes .
C116 C117 C118 119.0(4) yes .
C117 C118 C119 118.4(3) yes .
C117 C118 C121 118.0(4) yes .
C119 C118 C121 123.6(4) yes .
C118 C119 C120 118.7(4) yes .
N2 C120 C119 122.9(3) yes .
O11 C121 O12 125.4(5) yes .
O11 C121 C118 122.9(5) yes .
O12 C121 C118 111.7(4) yes .
Cl1 C123 Cl2 114.2(3) yes .
C124 C124 C125 117.5(8) yes 3_667
C124 C125 C126 113.3(8) yes .
C127 C128 C129 129.8(11) yes .
C128 C129 C130 121.3(11) yes .
C129 C130 C131 130.3(12) yes .
C130 C131 C132 122.5(12) yes .
C133 C134 C135 105.6(11) yes .
C133 C134 C138 133.8(13) yes .
C135 C134 C138 113.2(13) yes .
C134 C135 C136 94.8(11) yes .
C135 C136 C137 111.5(11) yes .
C136 C137 C138 100.9(10) yes .
C134 C138 C137 91.0(11) yes .
C3 C4 H4 119.335 no .
C5 C4 H4 119.330 no .
C5 C6 H6A 109.482 no .
C5 C6 H6B 109.472 no .
C5 C6 H6C 109.478 no .
H6A C6 H6B 109.475 no .
H6A C6 H6C 109.447 no .
H6B C6 H6C 109.472 no .
C8 C7 H7A 109.468 no .
C8 C7 H7B 109.478 no .
C8 C7 H7C 109.472 no .
H7A C7 H7B 109.471 no .
H7A C7 H7C 109.466 no .
H7B C7 H7C 109.472 no .
C8 C9 H9 119.466 no .
C10 C9 H9 119.475 no .
C10 C11 H11 113.051 no .
C12 C11 H11 113.044 no .
C27 C11 H11 113.039 no .
C12 C13 H13 119.417 no .
C14 C13 H13 119.418 no .
C14 C15 H15A 109.471 no .
C14 C15 H15B 109.459 no .
C14 C15 H15C 109.478 no .
H15A C15 H15B 109.477 no .
H15A C15 H15C 109.470 no .
H15B C15 H15C 109.472 no .
C17 C16 H16A 109.470 no .
C17 C16 H16B 109.478 no .
C17 C16 H16C 109.471 no .
H16A C16 H16B 109.452 no .
H16A C16 H16C 109.469 no .
H16B C16 H16C 109.487 no .
C17 C18 H18 119.770 no .
C19 C18 H18 119.743 no .
C20 C21 H21 119.462 no .
C22 C21 H21 119.479 no .
C22 C23 H23A 109.480 no .
C22 C23 H23B 109.484 no .
C22 C23 H23C 109.475 no .
H23A C23 H23B 109.477 no .
H23A C23 H23C 109.470 no .
H23B C23 H23C 109.442 no .
C25 C24 H24A 109.486 no .
C25 C24 H24B 109.465 no .
C25 C24 H24C 109.478 no .
H24A C24 H24B 109.468 no .
H24A C24 H24C 109.473 no .
H24B C24 H24C 109.457 no .
C25 C26 H26 119.791 no .
C27 C26 H26 119.806 no .
C30 C31 H31 119.451 no .
C32 C31 H31 119.446 no .
C32 C33 H33A 109.483 no .
C32 C33 H33B 109.458 no .
C32 C33 H33C 109.468 no .
H33A C33 H33B 109.472 no .
H33A C33 H33C 109.485 no .
H33B C33 H33C 109.462 no .
C35 C34 H34A 109.472 no .
C35 C34 H34B 109.479 no .
C35 C34 H34C 109.459 no .
H34A C34 H34B 109.464 no .
H34A C34 H34C 109.459 no .
H34B C34 H34C 109.495 no .
C35 C36 H36 119.207 no .
C37 C36 H36 119.191 no .
C37 C38 H38 113.159 no .
C39 C38 H38 113.172 no .
C54 C38 H38 113.153 no .
C39 C40 H40 119.451 no .
C41 C40 H40 119.463 no .
C41 C42 H42A 109.473 no .
C41 C42 H42B 109.459 no .
C41 C42 H42C 109.463 no .
H42A C42 H42B 109.477 no .
H42A C42 H42C 109.476 no .
H42B C42 H42C 109.480 no .
C44 C43 H43A 109.469 no .
C44 C43 H43B 109.476 no .
C44 C43 H43C 109.478 no .
H43A C43 H43B 109.459 no .
H43A C43 H43C 109.466 no .
H43B C43 H43C 109.480 no .
C44 C45 H45 119.400 no .
C46 C45 H45 119.400 no .
C47 C48 H48 119.635 no .
C49 C48 H48 119.641 no .
C49 C50 H50A 109.472 no .
C49 C50 H50B 109.463 no .
C49 C50 H50C 109.464 no .
H50A C50 H50B 109.454 no .
H50A C50 H50C 109.482 no .
H50B C50 H50C 109.492 no .
C52 C51 H51A 109.479 no .
C52 C51 H51B 109.484 no .
C52 C51 H51C 109.473 no .
H51A C51 H51B 109.459 no .
H51A C51 H51C 109.466 no .
H51B C51 H51C 109.466 no .
C52 C53 H53 119.460 no .
C54 C53 H53 119.461 no .
C57 C58 H58 119.264 no .
C59 C58 H58 119.261 no .
C59 C60 H60A 109.485 no .
C59 C60 H60B 109.466 no .
C59 C60 H60C 109.481 no .
H60A C60 H60B 109.456 no .
H60A C60 H60C 109.470 no .
H60B C60 H60C 109.469 no .
C62 C61 H61A 109.467 no .
C62 C61 H61B 109.468 no .
C62 C61 H61C 109.480 no .
H61A C61 H61B 109.463 no .
H61A C61 H61C 109.475 no .
H61B C61 H61C 109.474 no .
C62 C63 H63 119.279 no .
C64 C63 H63 119.277 no .
C64 C65 H65 113.007 no .
C66 C65 H65 113.025 no .
C81 C65 H65 113.027 no .
C66 C67 H67 119.669 no .
C68 C67 H67 119.682 no .
C68 C69 H69A 109.476 no .
C68 C69 H69B 109.476 no .
C68 C69 H69C 109.495 no .
H69A C69 H69B 109.455 no .
H69A C69 H69C 109.458 no .
H69B C69 H69C 109.467 no .
C71 C70 H70A 109.467 no .
C71 C70 H70B 109.467 no .
C71 C70 H70C 109.476 no .
H70A C70 H70B 109.464 no .
H70A C70 H70C 109.487 no .
H70B C70 H70C 109.467 no .
C71 C72 H72 119.808 no .
C73 C72 H72 119.782 no .
C74 C75 H75 119.402 no .
C76 C75 H75 119.414 no .
C76 C77 H77A 109.480 no .
C76 C77 H77B 109.472 no .
C76 C77 H77C 109.461 no .
H77A C77 H77B 109.483 no .
H77A C77 H77C 109.475 no .
H77B C77 H77C 109.456 no .
C79 C78 H78A 109.479 no .
C79 C78 H78B 109.471 no .
C79 C78 H78C 109.478 no .
H78A C78 H78B 109.467 no .
H78A C78 H78C 109.462 no .
H78B C78 H78C 109.471 no .
C79 C80 H80 119.523 no .
C81 C80 H80 119.531 no .
C84 C85 H85 119.585 no .
C86 C85 H85 119.586 no .
C86 C87 H87A 109.468 no .
C86 C87 H87B 109.471 no .
C86 C87 H87C 109.475 no .
H87A C87 H87B 109.463 no .
H87A C87 H87C 109.475 no .
H87B C87 H87C 109.476 no .
C89 C88 H88A 109.471 no .
C89 C88 H88B 109.472 no .
C89 C88 H88C 109.465 no .
H88A C88 H88B 109.483 no .
H88A C88 H88C 109.478 no .
H88B C88 H88C 109.458 no .
C89 C90 H90 119.308 no .
C91 C90 H90 119.320 no .
C91 C92 H92 112.822 no .
C93 C92 H92 112.812 no .
C108 C92 H92 112.824 no .
C93 C94 H94 119.345 no .
C95 C94 H94 119.334 no .
C95 C96 H96A 109.454 no .
C95 C96 H96B 109.463 no .
C95 C96 H96C 109.469 no .
H96A C96 H96B 109.483 no .
H96A C96 H96C 109.475 no .
H96B C96 H96C 109.483 no .
C98 C97 H97A 109.461 no .
C98 C97 H97B 109.469 no .
C98 C97 H97C 109.467 no .
H97A C97 H97B 109.469 no .
H97A C97 H97C 109.489 no .
H97B C97 H97C 109.472 no .
C98 C99 H99 119.510 no .
C100 C99 H99 119.529 no .
C101 C102 H102 119.348 no .
C103 C102 H102 119.363 no .
C103 C104 H10A 109.481 no .
C103 C104 H10B 109.476 no .
C103 C104 H10C 109.473 no .
H10A C104 H10B 109.462 no .
H10A C104 H10C 109.477 no .
H10B C104 H10C 109.457 no .
C106 C105 H10D 109.466 no .
C106 C105 H10E 109.473 no .
C106 C105 H10F 109.468 no .
H10D C105 H10E 109.475 no .
H10D C105 H10F 109.469 no .
H10E C105 H10F 109.477 no .
C106 C107 H107 119.346 no .
C108 C107 H107 119.362 no .
N1 C109 H109 118.404 no .
C110 C109 H109 118.432 no .
C109 C110 H110 120.469 no .
C111 C110 H110 120.502 no .
C111 C112 H112 120.728 no .
C113 C112 H112 120.718 no .
N1 C113 H113 118.483 no .
C112 C113 H113 118.496 no .
O10 C115 H11A 109.475 no .
O10 C115 H11B 109.472 no .
O10 C115 H11C 109.482 no .
H11A C115 H11B 109.463 no .
H11A C115 H11C 109.467 no .
H11B C115 H11C 109.469 no .
N2 C116 H116 118.687 no .
C117 C116 H116 118.659 no .
C116 C117 H117 120.512 no .
C118 C117 H117 120.516 no .
C118 C119 H119 120.666 no .
C120 C119 H119 120.670 no .
N2 C120 H120 118.531 no .
C119 C120 H120 118.521 no .
O12 C122 H12A 109.473 no .
O12 C122 H12B 109.478 no .
O12 C122 H12C 109.480 no .
H12A C122 H12B 109.467 no .
H12A C122 H12C 109.460 no .
H12B C122 H12C 109.469 no .
Cl1 C123 H12D 108.705 no .
Cl1 C123 H12E 108.700 no .
Cl2 C123 H12D 108.703 no .
Cl2 C123 H12E 108.693 no .
H12D C123 H12E 107.613 no .
C124 C124 H12M 107.952 no 3_667
C124 C124 H12N 107.936 no 3_667
C125 C124 H12M 107.924 no .
C125 C124 H12N 107.930 no .
H12M C124 H12N 107.215 no .
C124 C125 H12O 108.911 no .
C124 C125 H12P 108.912 no .
C126 C125 H12O 108.909 no .
C126 C125 H12P 108.916 no .
H12O C125 H12P 107.732 no .
C125 C126 H12Q 109.472 no .
C125 C126 H12R 109.475 no .
C125 C126 H12S 109.467 no .
H12Q C126 H12R 109.479 no .
H12Q C126 H12S 109.478 no .
H12R C126 H12S 109.458 no .
C128 C127 H12F 109.492 no .
C128 C127 H12G 109.480 no .
C128 C127 H12H 109.488 no .
H12F C127 H12G 109.455 no .
H12F C127 H12H 109.458 no .
H12G C127 H12H 109.455 no .
C127 C128 H12I 104.852 no .
C127 C128 H12J 104.841 no .
C129 C128 H12I 104.841 no .
C129 C128 H12J 104.831 no .
H12I C128 H12J 105.782 no .
C128 C129 H12K 107.000 no .
C128 C129 H12L 107.019 no .
C130 C129 H12K 107.012 no .
C130 C129 H12L 106.997 no .
H12K C129 H12L 106.757 no .
C129 C130 H13A 104.709 no .
C129 C130 H13B 104.715 no .
C131 C130 H13A 104.705 no .
C131 C130 H13B 104.706 no .
H13A C130 H13B 105.728 no .
C130 C131 H13C 106.690 no .
C130 C131 H13D 106.692 no .
C132 C131 H13C 106.696 no .
C132 C131 H13D 106.707 no .
H13C C131 H13D 106.603 no .
C131 C132 H13E 109.466 no .
C131 C132 H13F 109.470 no .
C131 C132 H13G 109.481 no .
H13E C132 H13F 109.476 no .
H13E C132 H13G 109.467 no .
H13F C132 H13G 109.467 no .
C134 C133 H13H 109.461 no .
C134 C133 H13I 109.468 no .
C134 C133 H13J 109.463 no .
H13H C133 H13I 109.475 no .
H13H C133 H13J 109.468 no .
H13I C133 H13J 109.491 no .
C133 C134 H134 98.867 no .
C135 C134 H134 98.862 no .
C138 C134 H134 98.856 no .
C134 C135 H13K 112.759 no .
C134 C135 H13L 112.776 no .
C136 C135 H13K 112.747 no .
C136 C135 H13L 112.778 no .
H13K C135 H13L 110.234 no .
C135 C136 H13M 109.298 no .
C135 C136 H13N 109.330 no .
C137 C136 H13M 109.324 no .
C137 C136 H13N 109.334 no .
H13M C136 H13N 107.973 no .
C136 C137 H13O 111.585 no .
C136 C137 H13P 111.588 no .
C138 C137 H13O 111.594 no .
C138 C137 H13P 111.597 no .
H13O C137 H13P 109.394 no .
C134 C138 H13Q 113.457 no .
C134 C138 H13R 113.459 no .
C137 C138 H13Q 113.465 no .
C137 C138 H13R 113.441 no .
H13Q C138 H13R 110.772 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
Rh1 Rh2 2.3987(6) yes .
Rh1 O1 2.042(2) yes .
Rh1 O3 2.026(2) yes .
Rh1 O5 2.047(2) yes .
Rh1 O7 2.028(2) yes .
Rh1 N1 2.220(2) yes .
Rh2 O2 2.027(2) yes .
Rh2 O4 2.049(2) yes .
Rh2 O6 2.039(2) yes .
Rh2 O8 2.052(2) yes .
Rh2 N2 2.243(2) yes .
Cl1 C123 1.717(6) yes .
Cl2 C123 1.726(6) yes .
O1 C1 1.269(3) yes .
O2 C1 1.270(3) yes .
O3 C28 1.270(3) yes .
O4 C28 1.268(3) yes .
O5 C55 1.273(4) yes .
O6 C55 1.269(3) yes .
O7 C82 1.273(3) yes .
O8 C82 1.268(3) yes .
O9 C114 1.203(6) yes .
O10 C114 1.324(6) yes .
O10 C115 1.465(5) yes .
O11 C121 1.193(6) yes .
O12 C121 1.334(6) yes .
O12 C122 1.474(6) yes .
N1 C109 1.328(4) yes .
N1 C113 1.327(4) yes .
N2 C116 1.315(4) yes .
N2 C120 1.335(4) yes .
C1 C2 1.522(4) yes .
C2 C3 1.556(4) yes .
C2 C19 1.546(4) yes .
C2 C20 1.552(4) yes .
C3 C4 1.387(4) yes .
C3 C10 1.401(4) yes .
C4 C5 1.396(5) yes .
C5 C6 1.509(5) yes .
C5 C8 1.399(5) yes .
C7 C8 1.512(5) yes .
C8 C9 1.394(4) yes .
C9 C10 1.387(4) yes .
C10 C11 1.519(4) yes .
C11 C12 1.521(4) yes .
C11 C27 1.531(4) yes .
C12 C13 1.381(4) yes .
C12 C19 1.396(4) yes .
C13 C14 1.393(5) yes .
C14 C15 1.524(5) yes .
C14 C17 1.402(5) yes .
C16 C17 1.516(6) yes .
C17 C18 1.404(4) yes .
C18 C19 1.392(4) yes .
C20 C21 1.385(4) yes .
C20 C27 1.404(4) yes .
C21 C22 1.395(4) yes .
C22 C23 1.519(5) yes .
C22 C25 1.399(5) yes .
C24 C25 1.511(5) yes .
C25 C26 1.400(5) yes .
C26 C27 1.384(4) yes .
C28 C29 1.529(4) yes .
C29 C30 1.550(4) yes .
C29 C46 1.544(5) yes .
C29 C47 1.554(4) yes .
C30 C31 1.391(5) yes .
C30 C37 1.408(4) yes .
C31 C32 1.405(5) yes .
C32 C33 1.504(6) yes .
C32 C35 1.407(5) yes .
C34 C35 1.521(5) yes .
C35 C36 1.384(6) yes .
C36 C37 1.387(5) yes .
C37 C38 1.521(5) yes .
C38 C39 1.523(5) yes .
C38 C54 1.527(5) yes .
C39 C40 1.383(5) yes .
C39 C46 1.402(4) yes .
C40 C41 1.401(5) yes .
C41 C42 1.515(6) yes .
C41 C44 1.405(5) yes .
C43 C44 1.503(5) yes .
C44 C45 1.402(5) yes .
C45 C46 1.388(4) yes .
C47 C48 1.380(4) yes .
C47 C54 1.395(4) yes .
C48 C49 1.402(4) yes .
C49 C50 1.513(5) yes .
C49 C52 1.400(5) yes .
C51 C52 1.507(5) yes .
C52 C53 1.395(5) yes .
C53 C54 1.383(5) yes .
C55 C56 1.529(4) yes .
C56 C57 1.551(4) yes .
C56 C73 1.550(4) yes .
C56 C74 1.546(4) yes .
C57 C58 1.387(5) yes .
C57 C64 1.403(5) yes .
C58 C59 1.415(5) yes .
C59 C60 1.500(6) yes .
C59 C62 1.391(6) yes .
C61 C62 1.521(5) yes .
C62 C63 1.389(6) yes .
C63 C64 1.401(4) yes .
C64 C65 1.506(5) yes .
C65 C66 1.524(5) yes .
C65 C81 1.519(4) yes .
C66 C67 1.390(5) yes .
C66 C73 1.389(5) yes .
C67 C68 1.400(5) yes .
C68 C69 1.508(5) yes .
C68 C71 1.386(6) yes .
C70 C71 1.516(5) yes .
C71 C72 1.407(4) yes .
C72 C73 1.386(4) yes .
C74 C75 1.383(4) yes .
C74 C81 1.405(4) yes .
C75 C76 1.407(5) yes .
C76 C77 1.511(5) yes .
C76 C79 1.407(5) yes .
C78 C79 1.510(5) yes .
C79 C80 1.400(5) yes .
C80 C81 1.395(5) yes .
C82 C83 1.526(4) yes .
C83 C84 1.546(4) yes .
C83 C100 1.553(4) yes .
C83 C101 1.556(4) yes .
C84 C85 1.390(4) yes .
C84 C91 1.405(4) yes .
C85 C86 1.404(4) yes .
C86 C87 1.510(5) yes .
C86 C89 1.397(5) yes .
C88 C89 1.506(5) yes .
C89 C90 1.403(5) yes .
C90 C91 1.383(5) yes .
C91 C92 1.513(4) yes .
C92 C93 1.523(4) yes .
C92 C108 1.523(5) yes .
C93 C94 1.377(5) yes .
C93 C100 1.403(4) yes .
C94 C95 1.399(5) yes .
C95 C96 1.510(5) yes .
C95 C98 1.407(4) yes .
C97 C98 1.514(5) yes .
C98 C99 1.399(5) yes .
C99 C100 1.382(4) yes .
C101 C102 1.386(5) yes .
C101 C108 1.394(4) yes .
C102 C103 1.398(5) yes .
C103 C104 1.512(6) yes .
C103 C106 1.406(5) yes .
C105 C106 1.515(7) yes .
C106 C107 1.392(6) yes .
C107 C108 1.390(5) yes .
C109 C110 1.379(5) yes .
C110 C111 1.378(6) yes .
C111 C112 1.379(5) yes .
C111 C114 1.502(5) yes .
C112 C113 1.392(5) yes .
C116 C117 1.397(5) yes .
C117 C118 1.379(6) yes .
C118 C119 1.382(5) yes .
C118 C121 1.511(6) yes .
C119 C120 1.385(5) yes .
C124 C124 1.431(12) yes 3_667
C124 C125 1.493(12) yes .
C125 C126 1.586(16) yes .
C127 C128 1.405(16) yes .
C128 C129 1.373(17) yes .
C129 C130 1.379(17) yes .
C130 C131 1.342(19) yes .
C131 C132 1.425(16) yes .
C133 C134 1.41(2) yes .
C134 C135 1.48(2) yes .
C134 C138 1.51(2) yes .
C135 C136 1.475(19) yes .
C136 C137 1.549(18) yes .
C137 C138 1.527(19) yes .
C4 H4 0.950 no .
C6 H6A 0.980 no .
C6 H6B 0.980 no .
C6 H6C 0.980 no .
C7 H7A 0.980 no .
C7 H7B 0.980 no .
C7 H7C 0.980 no .
C9 H9 0.950 no .
C11 H11 1.000 no .
C13 H13 0.950 no .
C15 H15A 0.980 no .
C15 H15B 0.980 no .
C15 H15C 0.980 no .
C16 H16A 0.980 no .
C16 H16B 0.980 no .
C16 H16C 0.980 no .
C18 H18 0.950 no .
C21 H21 0.950 no .
C23 H23A 0.980 no .
C23 H23B 0.980 no .
C23 H23C 0.980 no .
C24 H24A 0.980 no .
C24 H24B 0.980 no .
C24 H24C 0.980 no .
C26 H26 0.950 no .
C31 H31 0.950 no .
C33 H33A 0.980 no .
C33 H33B 0.980 no .
C33 H33C 0.980 no .
C34 H34A 0.980 no .
C34 H34B 0.980 no .
C34 H34C 0.980 no .
C36 H36 0.950 no .
C38 H38 1.000 no .
C40 H40 0.950 no .
C42 H42A 0.980 no .
C42 H42B 0.980 no .
C42 H42C 0.980 no .
C43 H43A 0.980 no .
C43 H43B 0.980 no .
C43 H43C 0.980 no .
C45 H45 0.950 no .
C48 H48 0.950 no .
C50 H50A 0.980 no .
C50 H50B 0.980 no .
C50 H50C 0.980 no .
C51 H51A 0.980 no .
C51 H51B 0.980 no .
C51 H51C 0.980 no .
C53 H53 0.950 no .
C58 H58 0.950 no .
C60 H60A 0.980 no .
C60 H60B 0.980 no .
C60 H60C 0.980 no .
C61 H61A 0.980 no .
C61 H61B 0.980 no .
C61 H61C 0.980 no .
C63 H63 0.950 no .
C65 H65 1.000 no .
C67 H67 0.950 no .
C69 H69A 0.980 no .
C69 H69B 0.980 no .
C69 H69C 0.980 no .
C70 H70A 0.980 no .
C70 H70B 0.980 no .
C70 H70C 0.980 no .
C72 H72 0.950 no .
C75 H75 0.950 no .
C77 H77A 0.980 no .
C77 H77B 0.980 no .
C77 H77C 0.980 no .
C78 H78A 0.980 no .
C78 H78B 0.980 no .
C78 H78C 0.980 no .
C80 H80 0.950 no .
C85 H85 0.950 no .
C87 H87A 0.980 no .
C87 H87B 0.980 no .
C87 H87C 0.980 no .
C88 H88A 0.980 no .
C88 H88B 0.980 no .
C88 H88C 0.980 no .
C90 H90 0.950 no .
C92 H92 1.000 no .
C94 H94 0.950 no .
C96 H96A 0.980 no .
C96 H96B 0.980 no .
C96 H96C 0.980 no .
C97 H97A 0.980 no .
C97 H97B 0.980 no .
C97 H97C 0.980 no .
C99 H99 0.950 no .
C102 H102 0.950 no .
C104 H10A 0.980 no .
C104 H10B 0.980 no .
C104 H10C 0.980 no .
C105 H10D 0.980 no .
C105 H10E 0.980 no .
C105 H10F 0.980 no .
C107 H107 0.950 no .
C109 H109 0.950 no .
C110 H110 0.950 no .
C112 H112 0.950 no .
C113 H113 0.950 no .
C115 H11A 0.980 no .
C115 H11B 0.980 no .
C115 H11C 0.980 no .
C116 H116 0.950 no .
C117 H117 0.950 no .
C119 H119 0.950 no .
C120 H120 0.950 no .
C122 H12A 0.980 no .
C122 H12B 0.980 no .
C122 H12C 0.980 no .
C123 H12D 0.990 no .
C123 H12E 0.990 no .
C124 H12M 0.990 no .
C124 H12N 0.990 no .
C125 H12O 0.990 no .
C125 H12P 0.990 no .
C126 H12Q 0.980 no .
C126 H12R 0.980 no .
C126 H12S 0.980 no .
C127 H12F 0.980 no .
C127 H12G 0.980 no .
C127 H12H 0.980 no .
C128 H12I 0.990 no .
C128 H12J 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 .
C133 H13H 0.980 no .
C133 H13I 0.980 no .
C133 H13J 0.980 no .
C134 H134 1.000 no .
C135 H13K 0.990 no .
C135 H13L 0.990 no .
C136 H13M 0.990 no .
C136 H13N 0.990 no .
C137 H13O 0.990 no .
C137 H13P 0.990 no .
C138 H13Q 0.990 no .
C138 H13R 0.990 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
O1 O8 3.600(3) no .
O1 C3 2.908(4) no .
O1 C4 2.837(4) no .
O1 C19 3.442(3) no .
O1 C20 3.569(3) no .
O1 C28 3.520(3) no .
O1 C82 3.443(4) no .
O1 C113 3.380(4) no .
O2 O3 3.594(3) no .
O2 C18 3.040(4) no .
O2 C19 2.964(4) no .
O2 C20 2.877(4) no .
O2 C21 2.931(4) no .
O2 C28 3.469(3) no .
O2 C82 3.534(3) no .
O2 C120 3.208(4) no .
O3 C1 3.419(3) no .
O3 C45 3.056(4) no .
O3 C46 2.955(4) no .
O3 C47 2.885(3) no .
O3 C48 2.925(4) no .
O3 C55 3.596(4) no .
O3 C109 3.350(4) no .
O4 C1 3.477(3) no .
O4 C30 2.923(4) no .
O4 C31 2.845(4) no .
O4 C46 3.515(4) no .
O4 C47 3.515(3) no .
O4 C55 3.526(4) no .
O4 C120 3.310(4) no .
O5 C28 3.480(3) no .
O5 C57 2.917(4) no .
O5 C58 2.843(4) no .
O5 C73 3.469(4) no .
O5 C74 3.551(4) no .
O5 C82 3.534(3) no .
O5 C109 3.235(4) no .
O6 C28 3.553(4) no .
O6 C72 3.046(4) no .
O6 C73 2.956(4) no .
O6 C74 2.907(4) no .
O6 C75 2.968(4) no .
O6 C82 3.516(3) no .
O6 C116 3.454(4) no .
O7 C1 3.558(4) no .
O7 C55 3.481(3) no .
O7 C99 3.000(4) no .
O7 C100 2.925(4) no .
O7 C101 2.936(3) no .
O7 C102 3.020(4) no .
O7 C113 3.310(4) no .
O8 C1 3.502(4) no .
O8 C55 3.489(3) no .
O8 C84 2.913(4) no .
O8 C85 2.832(4) no .
O8 C100 3.520(4) no .
O8 C101 3.505(4) no .
O8 C116 3.380(4) no .
O9 C110 2.832(6) no .
O9 C115 2.656(7) no .
O10 C112 2.749(4) no .
O11 C117 2.814(6) no .
O11 C122 2.659(7) no .
O12 C119 2.769(5) no .
N1 C111 2.776(4) no .
N2 C118 2.776(4) no .
C1 C4 3.166(4) no .
C1 C18 2.935(4) no .
C1 C21 2.985(4) no .
C2 C11 2.617(4) no .
C3 C8 2.810(4) no .
C3 C12 2.822(4) no .
C3 C21 3.593(4) no .
C3 C27 2.830(4) no .
C4 C9 2.765(4) no .
C4 C43 3.588(5) no .
C5 C10 2.788(4) no .
C6 C7 2.951(6) no .
C9 C27 3.523(4) no .
C10 C13 3.596(4) no .
C10 C19 2.817(4) no .
C10 C20 2.791(4) no .
C10 C26 3.548(4) no .
C12 C17 2.797(5) no .
C12 C20 2.831(4) no .
C13 C18 2.774(5) no .
C13 C27 3.582(4) no .
C14 C19 2.797(4) no .
C15 C16 2.973(7) no .
C18 C102 3.362(4) no .
C19 C27 2.817(4) no .
C20 C25 2.799(4) no .
C21 C26 2.777(5) no .
C21 C45 3.540(4) no .
C22 C27 2.790(4) no .
C23 C24 2.986(7) no .
C28 C31 3.172(4) no .
C28 C45 2.989(4) no .
C28 C48 2.931(4) no .
C29 C38 2.620(4) no .
C30 C35 2.814(5) no .
C30 C39 2.819(5) no .
C30 C48 3.582(4) no .
C30 C54 2.831(4) no .
C31 C36 2.770(5) no .
C32 C37 2.797(5) no .
C33 C34 2.968(6) no .
C36 C39 3.590(5) no .
C36 C54 3.552(5) no .
C37 C40 3.563(5) no .
C37 C46 2.814(4) no .
C37 C47 2.788(4) no .
C37 C53 3.558(4) no .
C39 C44 2.797(5) no .
C39 C47 2.828(5) no .
C40 C45 2.773(5) no .
C41 C46 2.811(5) no .
C42 C43 2.957(6) no .
C46 C54 2.820(4) no .
C47 C52 2.799(5) no .
C48 C53 2.769(4) no .
C48 C72 3.566(5) no .
C49 C54 2.788(5) no .
C50 C51 2.962(6) no .
C55 C58 3.171(4) no .
C55 C72 2.955(4) no .
C55 C75 2.976(4) no .
C56 C65 2.609(5) no .
C57 C62 2.821(4) no .
C57 C66 2.825(5) no .
C57 C75 3.589(4) no .
C57 C81 2.799(5) no .
C58 C63 2.764(5) no .
C59 C64 2.801(5) no .
C60 C61 2.982(7) no .
C63 C66 3.578(5) no .
C63 C81 3.564(5) no .
C64 C67 3.572(5) no .
C64 C73 2.791(4) no .
C64 C74 2.801(4) no .
C64 C80 3.550(5) no .
C66 C71 2.782(5) no .
C66 C74 2.818(4) no .
C67 C72 2.772(5) no .
C67 C81 3.588(4) no .
C68 C73 2.804(5) no .
C69 C70 2.946(7) no .
C73 C81 2.833(4) no .
C74 C79 2.814(5) no .
C75 C80 2.780(5) no .
C76 C81 2.802(4) no .
C77 C78 3.005(6) no .
C82 C85 3.167(4) no .
C82 C99 2.966(4) no .
C82 C102 2.967(4) no .
C83 C92 2.613(4) no .
C84 C89 2.824(4) no .
C84 C93 2.833(4) no .
C84 C99 3.596(4) no .
C84 C102 3.587(5) no .
C84 C108 2.796(4) no .
C85 C90 2.772(4) no .
C86 C91 2.784(4) no .
C87 C88 2.959(5) no .
C90 C93 3.563(4) no .
C90 C108 3.544(5) no .
C91 C94 3.567(4) no .
C91 C100 2.792(4) no .
C91 C101 2.806(5) no .
C91 C107 3.528(5) no .
C93 C98 2.791(4) no .
C93 C101 2.826(5) no .
C94 C99 2.770(4) no .
C95 C100 2.805(5) no .
C96 C97 2.970(5) no .
C100 C108 2.844(4) no .
C101 C106 2.801(5) no .
C102 C107 2.764(5) no .
C103 C108 2.800(5) no .
C104 C105 2.979(6) no .
C109 C112 2.704(5) no .
C110 C113 2.701(5) no .
C116 C119 2.713(5) no .
C117 C120 2.702(6) no .
C133 C136 3.447(18) no .
C133 C137 3.556(19) no .
O10 C119 3.598(5) no 4_454
O11 C97 3.357(5) no 4_555
O12 C112 3.588(5) no 4_555
C9 C61 3.521(5) no 4_455
C18 C115 3.499(5) no 4_555
C19 C115 3.411(5) no 4_555
C20 C115 3.465(5) no 4_555
C53 C88 3.410(5) no 2_656
C60 C87 3.560(6) no 4_454
C61 C9 3.521(5) no 4_554
C72 C123 3.361(6) no .
C73 C123 3.459(6) no .
C87 C60 3.560(6) no 4_555
C88 C53 3.410(5) no 2_646
C97 O11 3.357(5) no 4_454
C98 C122 3.558(7) no 4_454
C99 C122 3.429(6) no 4_454
C100 C122 3.582(6) no 4_454
C112 O12 3.588(5) no 4_454
C115 C18 3.499(5) no 4_454
C115 C19 3.411(5) no 4_454
C115 C20 3.465(5) no 4_454
C119 O10 3.598(5) no 4_555
C122 C98 3.558(7) no 4_555
C122 C99 3.429(6) no 4_555
C122 C100 3.582(6) no 4_555
C123 C72 3.361(6) no .
C123 C73 3.459(6) no .
Rh1 H48 3.5879 no .
Rh1 H109 3.0928 no .
Rh1 H113 3.1353 no .
Rh2 H116 3.1581 no .
Rh2 H120 3.0939 no .
O1 H4 2.2017 no .
O1 H18 3.3042 no .
O1 H21 3.5329 no .
O1 H45 3.1930 no .
O1 H102 2.8219 no .
O1 H113 2.9575 no .
O2 H18 2.5564 no .
O2 H21 2.4381 no .
O2 H120 2.8387 no .
O3 H45 2.5777 no .
O3 H48 2.4317 no .
O3 H109 2.9758 no .
O4 H21 2.9096 no .
O4 H31 2.2084 no .
O4 H45 3.4341 no .
O4 H48 3.3830 no .
O4 H72 3.1060 no .
O4 H120 2.8588 no .
O5 H48 2.7996 no .
O5 H50B 3.5079 no .
O5 H58 2.2097 no .
O5 H72 3.3314 no .
O5 H75 3.5003 no .
O5 H99 3.1809 no .
O5 H109 2.8155 no .
O6 H72 2.5858 no .
O6 H75 2.4723 no .
O6 H116 3.0667 no .
O7 H99 2.5309 no .
O7 H102 2.5097 no .
O7 H113 2.9623 no .
O8 H18 3.0630 no .
O8 H75 2.9581 no .
O8 H85 2.1954 no .
O8 H99 3.4169 no .
O8 H102 3.4098 no .
O8 H116 2.9995 no .
O9 H11A 2.5909 no .
O9 H11B 2.6570 no .
O9 H110 2.5532 no .
O10 H112 2.4512 no .
O11 H12A 2.6414 no .
O11 H12C 2.6061 no .
O11 H117 2.5273 no .
O12 H119 2.4774 no .
N1 H58 3.5776 no .
N1 H110 3.2284 no .
N1 H112 3.2374 no .
N2 H117 3.2257 no .
N2 H119 3.2393 no .
C1 H4 2.8768 no .
C1 H18 2.6050 no .
C1 H21 2.6624 no .
C1 H45 3.2807 no .
C1 H102 3.1742 no .
C2 H4 2.8623 no .
C2 H10B 3.5249 no .
C2 H18 2.8233 no .
C2 H21 2.8301 no .
C2 H43A 3.5584 no .
C3 H9 3.2706 no .
C3 H10B 3.0125 no .
C3 H11 3.3213 no .
C3 H43A 2.8665 no .
C4 H6A 2.5386 no .
C4 H6B 3.0866 no .
C4 H6C 3.1702 no .
C4 H10B 2.9499 no .
C4 H43A 2.7487 no .
C4 H43B 3.5981 no .
C5 H7A 3.3219 no .
C5 H7B 2.8099 no .
C5 H7C 2.7455 no .
C5 H9 3.2640 no .
C5 H10B 3.5630 no .
C5 H43A 3.0766 no .
C5 H43B 3.3809 no .
C6 H4 2.6439 no .
C6 H7B 2.9392 no .
C6 H7C 2.8301 no .
C7 H6B 2.9455 no .
C7 H6C 2.8248 no .
C7 H9 2.6672 no .
C8 H4 3.2712 no .
C8 H6A 3.3218 no .
C8 H6B 2.8147 no .
C8 H6C 2.7447 no .
C8 H43A 3.4566 no .
C9 H7A 2.5576 no .
C9 H7B 3.1223 no .
C9 H7C 3.1615 no .
C9 H11 2.7197 no .
C9 H43A 3.5556 no .
C10 H4 3.2575 no .
C10 H43A 3.3052 no .
C11 H9 2.7614 no .
C11 H13 2.7810 no .
C11 H26 2.7966 no .
C12 H18 3.2684 no .
C13 H11 2.7410 no .
C13 H15A 3.1653 no .
C13 H15B 2.5662 no .
C13 H15C 3.1342 no .
C14 H16A 2.7617 no .
C14 H16B 2.8392 no .
C14 H16C 3.3357 no .
C14 H18 3.2797 no .
C15 H13 2.6711 no .
C15 H16A 2.8436 no .
C15 H16B 2.9763 no .
C16 H15A 2.8735 no .
C16 H15C 2.9378 no .
C16 H18 2.6554 no .
C17 H10C 3.5186 no .
C17 H13 3.2699 no .
C17 H15A 2.7752 no .
C17 H15B 3.3324 no .
C17 H15C 2.7943 no .
C18 H10B 3.4539 no .
C18 H10C 3.4485 no .
C18 H16A 3.1785 no .
C18 H16B 3.0957 no .
C18 H16C 2.5427 no .
C18 H102 3.0315 no .
C19 H10B 3.2969 no .
C19 H10C 3.5074 no .
C19 H11 3.3089 no .
C19 H13 3.2586 no .
C19 H102 3.5598 no .
C20 H11 3.3205 no .
C20 H26 3.2742 no .
C20 H43A 3.3200 no .
C20 H45 3.5054 no .
C21 H23A 2.5363 no .
C21 H23B 3.1452 no .
C21 H23C 3.1214 no .
C21 H43A 3.5220 no .
C21 H45 3.0560 no .
C21 H120 3.2433 no .
C22 H24A 3.3285 no .
C22 H24B 2.7633 no .
C22 H24C 2.8164 no .
C22 H26 3.2756 no .
C23 H21 2.6436 no .
C23 H24B 2.8747 no .
C23 H24C 2.9721 no .
C24 H23B 2.9214 no .
C24 H23C 2.9292 no .
C24 H26 2.6491 no .
C25 H21 3.2699 no .
C25 H23A 3.3354 no .
C25 H23B 2.7923 no .
C25 H23C 2.8015 no .
C26 H11 2.7511 no .
C26 H24A 2.5316 no .
C26 H24B 3.1416 no .
C26 H24C 3.1213 no .
C27 H21 3.2640 no .
C28 H21 3.2024 no .
C28 H31 2.8823 no .
C28 H45 2.6638 no .
C28 H48 2.5939 no .
C28 H72 3.3144 no .
C29 H31 2.8614 no .
C29 H45 2.8280 no .
C29 H48 2.8164 no .
C30 H23A 3.1521 no .
C30 H36 3.2732 no .
C30 H38 3.3296 no .
C30 H70A 2.9443 no .
C31 H23A 2.8866 no .
C31 H33A 2.5319 no .
C31 H33B 3.1627 no .
C31 H33C 3.0975 no .
C31 H70A 2.7854 no .
C32 H23A 3.4271 no .
C32 H34A 2.8344 no .
C32 H34B 3.3318 no .
C32 H34C 2.7405 no .
C32 H36 3.2632 no .
C32 H70A 3.1613 no .
C32 H70C 3.5063 no .
C33 H31 2.6454 no .
C33 H34A 2.9954 no .
C33 H34C 2.8117 no .
C34 H33B 2.8488 no .
C34 H33C 2.9555 no .
C34 H36 2.6600 no .
C35 H31 3.2825 no .
C35 H33A 3.3305 no .
C35 H33B 2.7623 no .
C35 H33C 2.8171 no .
C36 H34A 3.1022 no .
C36 H34B 2.5642 no .
C36 H34C 3.1776 no .
C36 H38 2.7307 no .
C37 H31 3.2686 no .
C37 H70A 3.4252 no .
C38 H36 2.7666 no .
C38 H40 2.7771 no .
C38 H53 2.7882 no .
C39 H45 3.2631 no .
C40 H38 2.7389 no .
C40 H42A 2.5618 no .
C40 H42B 3.1678 no .
C40 H42C 3.1292 no .
C41 H43A 3.3187 no .
C41 H43B 2.8426 no .
C41 H43C 2.7170 no .
C41 H45 3.2793 no .
C42 H40 2.6726 no .
C42 H43B 3.0279 no .
C42 H43C 2.7585 no .
C43 H42B 2.8490 no .
C43 H42C 2.9348 no .
C43 H45 2.6532 no .
C44 H40 3.2757 no .
C44 H42A 3.3313 no .
C44 H42B 2.7608 no .
C44 H42C 2.8106 no .
C45 H21 3.1691 no .
C45 H43A 2.5466 no .
C45 H43B 3.0694 no .
C45 H43C 3.1905 no .
C46 H38 3.3183 no .
C46 H40 3.2691 no .
C47 H38 3.3123 no .
C47 H53 3.2605 no .
C47 H70A 3.3953 no .
C47 H72 3.5618 no .
C48 H50A 3.1113 no .
C48 H50B 2.5347 no .
C48 H50C 3.1565 no .
C48 H70A 3.5652 no .
C48 H72 3.0533 no .
C48 H109 3.2866 no .
C49 H51A 3.3200 no .
C49 H51B 2.7664 no .
C49 H51C 2.7789 no .
C49 H53 3.2655 no .
C50 H48 2.6490 no .
C50 H51B 2.8874 no .
C50 H51C 2.9026 no .
C51 H50A 2.9539 no .
C51 H50C 2.8482 no .
C51 H53 2.6642 no .
C52 H48 3.2778 no .
C52 H50A 2.8203 no .
C52 H50B 3.3300 no .
C52 H50C 2.7633 no .
C53 H38 2.7490 no .
C53 H51A 2.5522 no .
C53 H51B 3.1470 no .
C53 H51C 3.1305 no .
C54 H48 3.2571 no .
C55 H48 3.1951 no .
C55 H58 2.8798 no .
C55 H72 2.6312 no .
C55 H75 2.6503 no .
C55 H99 3.3284 no .
C56 H50B 3.5616 no .
C56 H58 2.8575 no .
C56 H72 2.8331 no .
C56 H75 2.8268 no .
C57 H50B 2.9932 no .
C57 H63 3.2778 no .
C57 H65 3.3126 no .
C57 H97C 3.0666 no .
C58 H50B 2.7885 no .
C58 H60A 2.5291 no .
C58 H60B 3.1689 no .
C58 H60C 3.0959 no .
C58 H97A 3.4755 no .
C58 H97C 2.9400 no .
C58 H109 3.5326 no .
C59 H50B 3.3140 no .
C59 H61A 2.7474 no .
C59 H61B 2.8413 no .
C59 H61C 3.3263 no .
C59 H63 3.2545 no .
C59 H97A 3.4596 no .
C59 H97C 3.3693 no .
C60 H58 2.6446 no .
C60 H61A 2.8362 no .
C60 H61B 3.0168 no .
C61 H60B 2.8479 no .
C61 H60C 2.9945 no .
C61 H63 2.6419 no .
C62 H58 3.2749 no .
C62 H60A 3.3142 no .
C62 H60B 2.7422 no .
C62 H60C 2.8190 no .
C63 H61A 3.1747 no .
C63 H61B 3.0875 no .
C63 H61C 2.5448 no .
C63 H65 2.7241 no .
C64 H58 3.2579 no .
C64 H97C 3.5412 no .
C65 H63 2.7736 no .
C65 H67 2.7837 no .
C65 H80 2.7939 no .
C66 H72 3.2551 no .
C67 H65 2.7373 no .
C67 H69A 3.1694 no .
C67 H69B 2.5459 no .
C67 H69C 3.1037 no .
C68 H70A 3.3094 no .
C68 H70B 2.7167 no .
C68 H70C 2.8295 no .
C68 H72 3.2744 no .
C69 H67 2.6602 no .
C69 H70B 2.7814 no .
C69 H70C 2.9854 no .
C70 H69A 2.7989 no .
C70 H69C 2.9678 no .
C70 H72 2.6655 no .
C71 H67 3.2593 no .
C71 H69A 2.7409 no .
C71 H69B 3.3119 no .
C71 H69C 2.8105 no .
C72 H48 3.1847 no .
C72 H70A 2.5525 no .
C72 H70B 3.1920 no .
C72 H70C 3.0924 no .
C73 H50B 3.4676 no .
C73 H65 3.3064 no .
C73 H67 3.2640 no .
C74 H65 3.3158 no .
C74 H80 3.2785 no .
C74 H97C 3.3906 no .
C74 H99 3.5987 no .
C75 H77A 2.5436 no .
C75 H77B 3.0628 no .
C75 H77C 3.1993 no .
C75 H97C 3.5308 no .
C75 H99 3.1188 no .
C76 H78A 2.8466 no .
C76 H78B 2.7569 no .
C76 H78C 3.3364 no .
C76 H80 3.2777 no .
C77 H75 2.6471 no .
C77 H78A 3.0448 no .
C77 H78B 2.8493 no .
C78 H77B 3.1107 no .
C78 H77C 2.7905 no .
C78 H80 2.6438 no .
C79 H75 3.2854 no .
C79 H77A 3.3305 no .
C79 H77B 2.8786 no .
C79 H77C 2.7271 no .
C80 H65 2.7467 no .
C80 H78A 3.0840 no .
C80 H78B 3.1729 no .
C80 H78C 2.5350 no .
C81 H75 3.2648 no .
C82 H18 3.2630 no .
C82 H75 3.2500 no .
C82 H85 2.8775 no .
C82 H99 2.6383 no .
C82 H102 2.6350 no .
C83 H16C 3.5114 no .
C83 H85 2.8534 no .
C83 H99 2.8241 no .
C83 H102 2.8283 no .
C84 H16C 2.9197 no .
C84 H77A 3.0748 no .
C84 H90 3.2717 no .
C84 H92 3.3138 no .
C85 H16C 2.8108 no .
C85 H77A 2.8890 no .
C85 H87A 3.1312 no .
C85 H87B 2.5313 no .
C85 H87C 3.1357 no .
C86 H16C 3.2905 no .
C86 H77A 3.3690 no .
C86 H88A 2.8194 no .
C86 H88B 2.7491 no .
C86 H88C 3.3214 no .
C86 H90 3.2610 no .
C87 H85 2.6475 no .
C87 H88A 2.9530 no .
C87 H88B 2.8397 no .
C88 H87A 2.8905 no .
C88 H87C 2.8955 no .
C88 H90 2.6672 no .
C89 H85 3.2832 no .
C89 H87A 2.7649 no .
C89 H87B 3.3194 no .
C89 H87C 2.7822 no .
C90 H88A 3.1078 no .
C90 H88B 3.1780 no .
C90 H88C 2.5569 no .
C90 H92 2.7111 no .
C91 H16C 3.4484 no .
C91 H85 3.2638 no .
C92 H90 2.7563 no .
C92 H94 2.7847 no .
C92 H107 2.7948 no .
C93 H99 3.2627 no .
C94 H92 2.7434 no .
C94 H96A 3.1544 no .
C94 H96B 2.5515 no .
C94 H96C 3.1276 no .
C95 H97A 2.9510 no .
C95 H97B 2.6548 no .
C95 H97C 3.3010 no .
C95 H99 3.2805 no .
C96 H94 2.6619 no .
C96 H97A 3.2268 no .
C96 H97B 2.6290 no .
C97 H96A 2.8673 no .
C97 H96C 2.9418 no .
C97 H99 2.6574 no .
C98 H94 3.2714 no .
C98 H96A 2.7707 no .
C98 H96B 3.3325 no .
C98 H96C 2.8075 no .
C99 H75 3.2300 no .
C99 H97A 2.9645 no .
C99 H97B 3.2640 no .
C99 H97C 2.5987 no .
C100 H77A 3.5332 no .
C100 H92 3.3100 no .
C100 H94 3.2625 no .
C101 H16C 3.2295 no .
C101 H18 3.4744 no .
C101 H92 3.3062 no .
C101 H107 3.2613 no .
C102 H10A 3.1952 no .
C102 H10B 2.5545 no .
C102 H10C 3.0740 no .
C102 H16C 3.3690 no .
C102 H18 2.9252 no .
C102 H113 3.5514 no .
C103 H10D 3.3337 no .
C103 H10E 2.8471 no .
C103 H10F 2.7455 no .
C103 H107 3.2701 no .
C104 H10E 3.0196 no .
C104 H10F 2.8168 no .
C104 H102 2.6572 no .
C105 H10A 2.8141 no .
C105 H10C 3.0199 no .
C105 H107 2.6494 no .
C106 H10A 2.7405 no .
C106 H10B 3.3303 no .
C106 H10C 2.8435 no .
C106 H102 3.2735 no .
C107 H10D 2.5446 no .
C107 H10E 3.1019 no .
C107 H10F 3.1648 no .
C107 H92 2.7493 no .
C108 H102 3.2571 no .
C109 H58 3.1240 no .
C109 H60A 3.2816 no .
C109 H113 3.1294 no .
C110 H60A 3.0534 no .
C110 H112 3.2355 no .
C111 H109 3.2265 no .
C111 H113 3.2340 no .
C112 H6A 3.4912 no .
C112 H110 3.2344 no .
C113 H4 3.3352 no .
C113 H6A 3.4606 no .
C113 H109 3.1286 no .
C114 H11A 2.5841 no .
C114 H11B 2.6103 no .
C114 H11C 3.1715 no .
C114 H110 2.6340 no .
C114 H112 2.7114 no .
C116 H85 3.2177 no .
C116 H87B 3.2728 no .
C116 H120 3.1290 no .
C117 H87B 3.1444 no .
C117 H119 3.2375 no .
C118 H116 3.2420 no .
C118 H120 3.2326 no .
C119 H33A 3.4519 no .
C119 H117 3.2368 no .
C120 H31 3.2705 no .
C120 H33A 3.4587 no .
C120 H116 3.1329 no .
C121 H12A 2.5993 no .
C121 H12B 3.1781 no .
C121 H12C 2.5901 no .
C121 H117 2.6220 no .
C121 H119 2.7380 no .
C124 H12O 2.7736 no 3_667
C124 H12P 2.6605 no 3_667
C124 H12Q 2.7101 no .
C124 H12R 3.3895 no .
C124 H12S 2.8581 no .
C125 H12M 2.6816 no 3_667
C125 H12N 2.6815 no 3_667
C126 H12M 2.6633 no .
C126 H12N 2.7922 no .
C127 H12K 2.7382 no .
C127 H12L 2.7425 no .
C128 H13A 2.4912 no .
C128 H13B 2.6183 no .
C129 H12F 2.7317 no .
C129 H12G 2.8618 no .
C129 H12H 3.2686 no .
C129 H13C 2.6898 no .
C129 H13D 2.6954 no .
C130 H12I 2.5504 no .
C130 H12J 2.5552 no .
C130 H13E 3.0171 no .
C130 H13F 2.4847 no .
C130 H13G 3.0793 no .
C131 H12K 2.6553 no .
C131 H12L 2.7603 no .
C132 H13A 2.5707 no .
C132 H13B 2.5775 no .
C133 H13K 2.4915 no .
C133 H13L 2.6450 no .
C133 H13Q 2.9773 no .
C133 H13R 3.1525 no .
C134 H13M 2.8705 no .
C134 H13N 2.8514 no .
C134 H13O 2.4595 no .
C134 H13P 3.0789 no .
C135 H13H 2.5653 no .
C135 H13I 2.3950 no .
C135 H13J 3.1690 no .
C135 H13O 2.9442 no .
C135 H13P 3.3048 no .
C135 H13Q 3.3636 no .
C135 H13R 2.7792 no .
C136 H13Q 3.2636 no .
C136 H13R 2.6775 no .
C136 H134 2.2663 no .
C137 H13K 3.1703 no .
C137 H13L 3.1531 no .
C137 H134 2.0550 no .
C138 H13H 3.3767 no .
C138 H13I 3.1712 no .
C138 H13J 2.8174 no .
C138 H13K 3.3283 no .
C138 H13L 2.9045 no .
C138 H13M 2.7986 no .
C138 H13N 3.2055 no .
H4 H6A 2.3109 no .
H4 H6B 3.2419 no .
H4 H6C 3.3653 no .
H4 H10B 3.0442 no .
H4 H43A 3.0606 no .
H4 H45 3.3952 no .
H4 H113 2.9076 no .
H6A H112 3.4159 no .
H6A H113 3.3642 no .
H6B H7B 3.0939 no .
H6B H7C 2.5034 no .
H6B H43B 3.0662 no .
H6C H7B 2.4921 no .
H6C H7C 2.8311 no .
H7A H9 2.3411 no .
H7B H9 3.2876 no .
H7C H9 3.3672 no .
H9 H11 2.5426 no .
H10A H10E 2.5432 no .
H10A H10F 2.7509 no .
H10A H102 3.3935 no .
H10B H18 3.5916 no .
H10B H102 2.3327 no .
H10B H113 3.5989 no .
H10C H10E 3.2323 no .
H10C H10F 2.5460 no .
H10C H102 3.2355 no .
H10D H107 2.3210 no .
H10E H107 3.2438 no .
H10F H107 3.3734 no .
H11 H13 2.5742 no .
H11 H26 2.5914 no .
H12F H12I 2.7315 no .
H12F H12J 2.3038 no .
H12F H12K 2.9802 no .
H12F H12L 2.5984 no .
H12G H12I 2.1497 no .
H12G H12J 2.7209 no .
H12G H12K 2.7420 no .
H12G H12L 3.2173 no .
H12H H12I 2.2469 no .
H12H H12J 2.1025 no .
H12H H12L 3.5238 no .
H12I H12K 2.1903 no .
H12I H12L 2.7011 no .
H12I H13A 2.2463 no .
H12I H13B 2.9007 no .
H12J H12K 2.7011 no .
H12J H12L 2.1853 no .
H12J H13A 2.6900 no .
H12J H13B 2.3862 no .
H12K H13A 2.2597 no .
H12K H13B 2.7003 no .
H12K H13C 2.5011 no .
H12K H13D 2.9158 no .
H12L H13A 2.6969 no .
H12L H13B 2.1259 no .
H12L H13C 3.0989 no .
H12L H13D 2.6225 no .
H12M H12M 2.7774 no 3_667
H12M H12N 2.2746 no 3_667
H12M H12O 2.8271 no .
H12M H12O 2.5886 no 3_667
H12M H12P 2.3909 no .
H12M H12P 2.8918 no 3_667
H12M H12Q 2.8090 no .
H12M H12R 3.5875 no .
H12M H12S 2.6061 no .
H12N H12N 2.7774 no 3_667
H12N H12O 2.2887 no .
H12N H12O 3.0749 no 3_667
H12N H12P 2.8287 no .
H12N H12P 2.4652 no 3_667
H12N H12Q 2.5789 no .
H12N H12S 3.2324 no .
H12O H12Q 2.4880 no .
H12O H12R 2.3573 no .
H12O H12S 2.9003 no .
H12P H12Q 2.9029 no .
H12P H12R 2.4721 no .
H12P H12S 2.3707 no .
H13 H15A 3.3491 no .
H13 H15B 2.3444 no .
H13 H15C 3.3150 no .
H13A H13C 2.1601 no .
H13A H13D 2.6750 no .
H13A H13E 3.3635 no .
H13A H13F 2.3653 no .
H13A H13G 3.0602 no .
H13B H13C 2.6752 no .
H13B H13D 2.1530 no .
H13B H13E 2.9472 no .
H13B H13F 2.4405 no .
H13B H13G 3.4292 no .
H13C H13E 2.6172 no .
H13C H13F 2.5886 no .
H13C H13G 2.0374 no .
H13D H13E 2.0422 no .
H13D H13F 2.6472 no .
H13D H13G 2.5544 no .
H13H H13K 2.3695 no .
H13H H13L 3.0693 no .
H13H H134 1.9615 no .
H13I H13K 2.5967 no .
H13I H13L 2.3595 no .
H13I H13Q 3.5932 no .
H13I H13R 3.3648 no .
H13I H134 2.6474 no .
H13J H13K 3.4419 no .
H13J H13L 3.4829 no .
H13J H13Q 2.7828 no .
H13J H13R 3.2843 no .
H13J H134 2.3173 no .
H13K H13M 2.7105 no .
H13K H13N 2.1858 no .
H13K H13O 3.3732 no .
H13K H134 2.1694 no .
H13L H13M 2.1870 no .
H13L H13N 2.7232 no .
H13L H13R 2.8532 no .
H13L H134 2.7712 no .
H13M H13O 2.8717 no .
H13M H13P 2.2861 no .
H13M H13R 2.7630 no .
H13M H134 3.1677 no .
H13N H13O 2.3020 no .
H13N H13P 2.5954 no .
H13N H134 2.6421 no .
H13O H13Q 2.3787 no .
H13O H13R 2.9226 no .
H13O H134 1.9208 no .
H13P H13Q 2.5734 no .
H13P H13R 2.3990 no .
H13P H134 3.0379 no .
H13Q H134 2.3088 no .
H13R H134 2.7901 no .
H15A H16A 2.4256 no .
H15A H16B 3.0207 no .
H15C H16A 2.9493 no .
H15C H16B 2.6184 no .
H16A H18 3.3820 no .
H16B H18 3.2470 no .
H16B H87A 3.5167 no .
H16C H18 2.3209 no .
H16C H85 3.0090 no .
H18 H85 3.5243 no .
H18 H102 2.5254 no .
H21 H23A 2.3034 no .
H21 H23B 3.3170 no .
H21 H23C 3.2958 no .
H21 H45 2.6375 no .
H21 H120 2.7176 no .
H23A H31 2.9113 no .
H23A H120 3.2012 no .
H23B H24B 2.9430 no .
H23B H24C 2.5865 no .
H23C H24B 2.4987 no .
H23C H24C 3.0633 no .
H24A H26 2.3081 no .
H24B H26 3.3396 no .
H24C H26 3.2826 no .
H31 H33A 2.3054 no .
H31 H33B 3.3567 no .
H31 H33C 3.2559 no .
H31 H70A 3.0318 no .
H31 H72 3.5093 no .
H31 H120 2.8146 no .
H33A H119 3.3761 no .
H33A H120 3.3734 no .
H33B H34A 2.5582 no .
H33B H34C 2.8082 no .
H33C H34A 3.1487 no .
H33C H34C 2.4833 no .
H33C H70C 3.1838 no .
H34A H36 3.2547 no .
H34B H36 2.3419 no .
H34C H36 3.3823 no .
H36 H38 2.5524 no .
H38 H40 2.5687 no .
H38 H53 2.5843 no .
H40 H42A 2.3438 no .
H40 H42B 3.3651 no .
H40 H42C 3.3011 no .
H42B H43B 3.0793 no .
H42B H43C 2.3365 no .
H42C H43B 2.6834 no .
H42C H43C 2.8573 no .
H43A H45 2.3296 no .
H43B H45 3.2136 no .
H43C H45 3.4037 no .
H48 H50A 3.2680 no .
H48 H50B 2.3086 no .
H48 H50C 3.3523 no .
H48 H72 2.6131 no .
H48 H109 2.7748 no .
H50A H51B 2.5560 no .
H50A H51C 3.0463 no .
H50A H60C 3.5828 no .
H50A H109 3.5526 no .
H50B H58 2.8927 no .
H50B H109 3.1889 no .
H50C H51B 2.9073 no .
H50C H51C 2.4675 no .
H51A H53 2.3340 no .
H51B H53 3.3344 no .
H51C H53 3.3171 no .
H58 H60A 2.3005 no .
H58 H60B 3.3609 no .
H58 H60C 3.2497 no .
H58 H97A 3.5008 no .
H58 H97C 3.1425 no .
H58 H99 3.4254 no .
H58 H109 2.7489 no .
H60A H97A 3.4862 no .
H60A H109 3.2950 no .
H60A H110 2.9173 no .
H60B H61A 2.8102 no .
H60B H61B 2.5672 no .
H60B H97A 3.2966 no .
H60C H61A 2.5339 no .
H60C H61B 3.1937 no .
H60C H110 3.4024 no .
H61A H63 3.3728 no .
H61B H63 3.2284 no .
H61C H63 2.3139 no .
H63 H65 2.5532 no .
H65 H67 2.5704 no .
H65 H80 2.5844 no .
H67 H69A 3.3693 no .
H67 H69B 2.3274 no .
H67 H69C 3.2718 no .
H69A H70B 2.3163 no .
H69A H70C 2.9776 no .
H69C H70B 2.9458 no .
H69C H70C 2.6814 no .
H70A H72 2.3373 no .
H70B H72 3.4046 no .
H70C H72 3.2402 no .
H75 H77A 2.3212 no .
H75 H77B 3.1941 no .
H75 H77C 3.4085 no .
H75 H99 2.6750 no .
H75 H116 3.1229 no .
H77A H85 3.0181 no .
H77B H78A 3.3289 no .
H77B H78B 2.6521 no .
H77C H78A 2.5313 no .
H77C H78B 2.7124 no .
H78A H80 3.2393 no .
H78B H80 3.3677 no .
H78C H80 2.3077 no .
H85 H87A 3.3149 no .
H85 H87B 2.3033 no .
H85 H87C 3.3054 no .
H85 H116 2.7782 no .
H87A H88A 2.5612 no .
H87A H88B 2.9099 no .
H87B H116 3.1456 no .
H87B H117 2.9455 no .
H87C H88A 3.0382 no .
H87C H88B 2.4553 no .
H88A H90 3.2726 no .
H88B H90 3.3805 no .
H88C H90 2.3393 no .
H90 H92 2.5340 no .
H92 H94 2.5782 no .
H92 H107 2.5865 no .
H94 H96A 3.3513 no .
H94 H96B 2.3302 no .
H94 H96C 3.2947 no .
H96A H97A 2.8263 no .
H96A H97B 2.5788 no .
H96B H97B 3.5994 no .
H96C H97A 3.3776 no .
H96C H97B 2.3235 no .
H97A H99 3.0468 no .
H97B H99 3.5099 no .
H97C H99 2.4122 no .
H102 H113 3.0096 no .
H109 H110 2.3133 no .
H112 H113 2.3303 no .
H116 H117 2.3344 no .
H119 H120 2.3235 no .
Cl1 H6B 2.9683 no 1_655
Cl1 H7C 2.9112 no 1_655
Cl1 H13H 3.3410 no 1_655
Cl1 H13K 3.4808 no 1_655
Cl1 H116 3.4058 no .
Cl1 H117 3.5038 no .
Cl1 H134 3.4713 no 1_655
Cl2 H33A 3.4032 no .
Cl2 H33C 3.5920 no .
Cl2 H70C 3.2901 no .
O2 H11A 3.1069 no 4_555
O6 H12D 2.6242 no .
O7 H12A 3.2762 no 4_454
O9 H12G 3.0693 no .
O9 H13M 3.3441 no .
O9 H15C 3.3381 no 4_454
O9 H16B 2.9107 no 4_454
O10 H78C 2.8848 no 1_455
O10 H119 3.3445 no 4_454
O11 H7A 3.4538 no 1_655
O11 H60A 3.5208 no 4_555
O11 H60B 3.4279 no 4_555
O11 H96A 3.2099 no 4_555
O11 H97A 2.4801 no 4_555
O12 H112 3.3938 no 4_555
N1 H12A 3.4806 no 4_454
N1 H13P 3.0288 no .
N2 H11A 3.5738 no 4_555
N2 H12D 3.5505 no .
C6 H13N 3.4182 no .
C6 H13O 3.2718 no .
C6 H78B 2.8633 no 1_455
C7 H60B 3.3499 no 4_455
C7 H61B 2.9660 no 4_455
C7 H77B 3.5870 no 1_455
C7 H87C 3.1999 no 1_455
C7 H117 3.1196 no 1_455
C8 H61B 2.9993 no 4_455
C9 H61B 2.7411 no 4_455
C9 H97A 3.5084 no 4_455
C9 H97B 3.0567 no 4_455
C10 H97B 3.2787 no 4_455
C11 H97B 3.0732 no 4_455
C12 H11B 2.8779 no 4_555
C13 H11B 2.9816 no 4_555
C13 H13E 3.5335 no 2_546
C13 H63 3.2265 no 4_455
C13 H65 3.2533 no 4_455
C13 H80 3.1234 no 4_455
C14 H11B 3.1528 no 4_555
C15 H12K 3.3323 no 4_555
C15 H13D 3.5355 no 2_546
C16 H12G 3.3338 no 4_555
C16 H69A 3.3262 no 2_646
C17 H11A 3.4780 no 4_555
C17 H11B 3.2271 no 4_555
C18 H11A 3.0240 no 4_555
C18 H11B 3.1026 no 4_555
C19 H11A 3.2169 no 4_555
C19 H11B 2.9382 no 4_555
C19 H11C 3.5469 no 4_555
C20 H11A 3.5528 no 4_555
C20 H11B 3.4109 no 4_555
C20 H11C 2.9004 no 4_555
C21 H11C 2.8923 no 4_555
C22 H11C 3.1226 no 4_555
C23 H12M 3.1680 no 3_667
C23 H12N 3.1798 no .
C23 H12P 3.4296 no 3_667
C24 H34B 3.1755 no 3_667
C24 H77C 3.2531 no 4_455
C24 H78A 3.1830 no 4_455
C24 H96C 3.2743 no 4_455
C25 H11C 3.3222 no 4_555
C25 H78A 3.1257 no 4_455
C25 H96C 2.9930 no 4_455
C26 H11C 3.3096 no 4_555
C26 H78A 2.9407 no 4_455
C26 H96C 2.8698 no 4_455
C26 H97B 2.9215 no 4_455
C27 H11B 3.3278 no 4_555
C27 H11C 3.1249 no 4_555
C27 H96C 3.4763 no 4_455
C27 H97B 3.1815 no 4_455
C32 H12N 3.3300 no .
C33 H12Q 3.4407 no .
C34 H12M 3.1216 no .
C34 H12N 3.2597 no .
C34 H12Q 3.3745 no .
C34 H24B 3.2403 no 3_667
C34 H90 3.1658 no 2_656
C34 H92 3.2746 no 2_656
C34 H94 3.1488 no 2_656
C35 H12M 3.5153 no .
C35 H12N 3.0677 no .
C35 H90 3.1889 no 2_656
C36 H12N 3.5650 no .
C36 H12P 3.1175 no 3_667
C36 H88C 3.1904 no 2_656
C36 H90 3.3720 no 2_656
C37 H12P 3.2664 no 3_667
C37 H88C 3.3137 no 2_656
C38 H88C 3.5348 no 2_656
C39 H12P 3.4972 no 3_667
C39 H13Q 3.1025 no .
C40 H12P 3.4806 no 3_667
C40 H12R 3.0839 no 3_667
C40 H12S 3.5322 no 3_667
C40 H13Q 3.0730 no .
C41 H12R 3.3771 no 3_667
C41 H12S 3.3805 no 3_667
C41 H13J 3.5333 no .
C41 H13Q 3.0652 no .
C42 H10D 3.3401 no 2_556
C42 H12R 3.2804 no 3_667
C42 H12S 3.4006 no 3_667
C42 H13J 3.3098 no .
C43 H13O 3.3807 no .
C43 H96A 3.4227 no 4_455
C43 H96C 3.3201 no 4_455
C44 H13O 3.4002 no .
C44 H13Q 3.0751 no .
C45 H13O 3.5010 no .
C45 H13Q 3.0948 no .
C46 H13Q 3.1293 no .
C50 H12J 3.5187 no .
C50 H51B 3.1751 no 3_666
C50 H51C 3.3874 no 3_666
C51 H12H 3.5931 no 3_666
C51 H12J 3.2283 no .
C51 H13B 3.1086 no .
C51 H50A 3.1396 no 3_666
C51 H50C 3.2740 no 3_666
C51 H61A 3.1195 no 3_666
C51 H88A 3.5099 no 2_656
C52 H13B 3.5777 no .
C52 H88A 3.4374 no 2_656
C53 H88A 3.3470 no 2_656
C53 H88B 3.2614 no 2_656
C53 H88C 3.0574 no 2_656
C54 H88C 3.2372 no 2_656
C55 H12D 3.4305 no .
C56 H12D 3.3536 no .
C59 H9 3.3905 no 4_554
C60 H7A 3.3970 no 4_554
C60 H12H 3.5953 no .
C60 H87A 3.0911 no 4_454
C60 H87C 3.3554 no 4_454
C61 H7A 3.5327 no 4_554
C61 H9 3.0689 no 4_554
C61 H13E 3.5816 no 3_666
C61 H51A 2.8583 no 3_666
C61 H53 3.4861 no 3_666
C62 H9 3.0423 no 4_554
C62 H51A 3.1994 no 3_666
C63 H9 3.5875 no 4_554
C63 H11 3.3085 no 4_554
C63 H13 3.1344 no 4_554
C63 H13D 3.1835 no 3_666
C63 H13E 3.2645 no 3_666
C64 H11 3.5344 no 4_554
C64 H13 3.3227 no 4_554
C65 H13 2.9851 no 4_554
C65 H13D 3.4979 no 3_666
C66 H12E 3.0757 no .
C67 H12E 3.1197 no .
C67 H12L 3.0288 no 3_666
C67 H13I 3.4124 no 1_655
C67 H13K 3.5753 no 1_655
C68 H12E 3.1232 no .
C68 H12L 3.4064 no 3_666
C69 H13I 3.3868 no 1_655
C69 H16A 2.9956 no 2_656
C70 H88C 3.3136 no 2_656
C70 H90 3.1117 no 2_656
C71 H12D 3.5894 no .
C71 H12E 3.0787 no .
C72 H12D 2.9462 no .
C72 H12E 3.0115 no .
C73 H12D 2.9681 no .
C73 H12E 3.0088 no .
C74 H12D 3.1600 no .
C75 H12D 3.3086 no .
C76 H26 3.4534 no 4_554
C77 H24A 3.3652 no 4_554
C78 H6C 3.2788 no 1_655
C78 H11B 3.5944 no 1_655
C78 H13N 3.2568 no 1_655
C78 H26 3.3439 no 4_554
C79 H13N 3.5538 no 1_655
C79 H26 3.1616 no 4_554
C80 H11 3.5619 no 4_554
C80 H13 3.1375 no 4_554
C80 H13K 3.0974 no 1_655
C80 H13N 3.3946 no 1_655
C81 H13 3.3296 no 4_554
C81 H13K 3.4015 no 1_655
C87 H7A 3.5596 no 1_655
C87 H7B 3.5278 no 1_655
C87 H60B 3.1144 no 4_555
C87 H60C 3.1506 no 4_555
C88 H53 3.2205 no 2_646
C88 H70B 3.0901 no 2_646
C89 H70B 3.3621 no 2_646
C90 H34B 3.5059 no 2_646
C90 H34C 3.4425 no 2_646
C90 H70B 3.0738 no 2_646
C91 H34C 3.5973 no 2_646
C92 H34C 3.1188 no 2_646
C93 H12C 3.1711 no 4_454
C93 H34C 3.4754 no 2_646
C94 H12C 3.0452 no 4_454
C94 H34B 3.5596 no 2_646
C94 H34C 3.2288 no 2_646
C95 H12C 2.8940 no 4_454
C95 H24A 3.3764 no 4_554
C96 H24B 3.5503 no 4_554
C96 H42B 3.3580 no 4_554
C96 H43C 2.7175 no 4_554
C97 H9 2.9990 no 4_554
C97 H11 3.1843 no 4_554
C97 H26 3.0983 no 4_554
C98 H12A 3.3298 no 4_454
C98 H12C 2.8876 no 4_454
C98 H26 3.3742 no 4_554
C99 H12A 3.0468 no 4_454
C99 H12C 2.9933 no 4_454
C100 H12A 3.4568 no 4_454
C100 H12B 3.5907 no 4_454
C100 H12C 3.1292 no 4_454
C101 H12B 3.4731 no 4_454
C102 H12B 3.5695 no 4_454
C105 H13G 3.4624 no 2_546
C105 H13J 3.3055 no 2_546
C105 H40 3.3692 no 2_546
C105 H42A 3.2627 no 2_546
C109 H13P 2.6650 no .
C110 H13M 3.2169 no .
C110 H13P 2.8201 no .
C111 H13M 3.2317 no .
C111 H13P 3.3039 no .
C112 H12A 3.3145 no 4_454
C112 H13P 3.5888 no .
C113 H12A 3.0529 no 4_454
C113 H12B 3.4335 no 4_454
C113 H13P 3.4457 no .
C114 H13M 3.2925 no .
C114 H78C 3.5399 no 1_455
C115 H78C 3.1527 no 1_455
C115 H120 3.5101 no 4_454
C116 H12D 3.1795 no .
C117 H7C 3.5511 no 1_655
C119 H11A 3.3440 no 4_555
C120 H11A 3.0737 no 4_555
C120 H11C 3.5186 no 4_555
C122 H113 3.5200 no 4_555
C123 H13H 3.1483 no 1_655
C123 H116 3.4334 no .
C124 H23B 3.5119 no .
C124 H23C 3.4329 no .
C124 H23C 3.0437 no 3_667
C124 H34A 2.9353 no .
C125 H23C 3.1413 no 3_667
C125 H34A 3.5189 no .
C126 H23C 3.5402 no 3_667
C126 H33B 3.4539 no .
C126 H34A 3.0011 no .
C126 H40 3.4615 no 3_667
C126 H42A 3.5043 no 3_667
C126 H42B 3.5565 no 3_667
C127 H16B 3.2799 no 4_454
C127 H51C 3.2000 no 3_666
C127 H87A 3.4403 no 4_454
C127 H88A 3.4317 no 4_454
C127 H110 3.2904 no .
C128 H50A 3.4129 no .
C128 H51B 3.2474 no .
C128 H51C 3.5906 no 3_666
C128 H110 3.5473 no .
C129 H51B 3.5591 no .
C130 H13R 3.1703 no .
C130 H51B 3.4064 no .
C131 H15A 3.5854 no 2_556
C131 H15B 3.4808 no 2_556
C131 H63 3.1675 no 3_666
C132 H10C 3.5761 no 2_556
C132 H10F 3.1027 no 2_556
C132 H15A 3.4687 no 2_556
C132 H61C 3.3036 no 3_666
C132 H63 3.1120 no 3_666
C133 H10D 3.5406 no 2_556
C133 H12E 3.4110 no 1_455
C133 H13G 3.5077 no .
C133 H42C 3.2456 no .
C133 H69C 3.5890 no 1_455
C135 H80 3.3676 no 1_455
C136 H78C 3.5389 no 1_455
C136 H80 3.4687 no 1_455
C137 H6A 3.4573 no .
C138 H13A 3.1072 no .
H4 H13O 3.4837 no .
H6A C137 3.4573 no .
H6A H13N 2.9716 no .
H6A H13O 2.8540 no .
H6A H13P 3.5455 no .
H6A H78B 2.8589 no 1_455
H6B Cl1 2.9683 no 1_455
H6B H13N 3.0156 no .
H6B H13O 2.8882 no .
H6B H78B 2.9727 no 1_455
H6B H134 3.5418 no .
H6C C78 3.2788 no 1_455
H6C H77B 2.9473 no 1_455
H6C H78B 2.3100 no 1_455
H7A O11 3.4538 no 1_455
H7A C60 3.3970 no 4_455
H7A C61 3.5327 no 4_455
H7A C87 3.5596 no 1_455
H7A H60B 2.4292 no 4_455
H7A H61B 2.6376 no 4_455
H7A H87B 3.3930 no 1_455
H7A H87C 2.8699 no 1_455
H7A H97A 3.5526 no 4_455
H7A H117 2.7382 no 1_455
H7B C87 3.5278 no 1_455
H7B H60B 3.5574 no 4_455
H7B H61B 2.8596 no 4_455
H7B H77B 2.8944 no 1_455
H7B H87B 3.5902 no 1_455
H7B H87C 2.6777 no 1_455
H7B H117 3.5708 no 1_455
H7C Cl1 2.9112 no 1_455
H7C C117 3.5511 no 1_455
H7C H77B 3.3847 no 1_455
H7C H117 2.6628 no 1_455
H9 C59 3.3905 no 4_455
H9 C61 3.0689 no 4_455
H9 C62 3.0423 no 4_455
H9 C63 3.5875 no 4_455
H9 C97 2.9990 no 4_455
H9 H60B 3.1399 no 4_455
H9 H61B 2.3783 no 4_455
H9 H61C 3.4962 no 4_455
H9 H97A 2.7662 no 4_455
H9 H97B 2.5936 no 4_455
H9 H97C 3.1588 no 4_455
H10C C132 3.5761 no 2_546
H10C H13E 2.9914 no 2_546
H10C H13G 3.4193 no 2_546
H10D C42 3.3401 no 2_546
H10D C133 3.5406 no 2_546
H10D H13J 2.6890 no 2_546
H10D H40 3.2811 no 2_546
H10D H42A 2.5959 no 2_546
H10D H42C 3.2873 no 2_546
H10E H40 2.7359 no 2_546
H10E H42A 3.0534 no 2_546
H10F C132 3.1027 no 2_546
H10F H13E 3.2678 no 2_546
H10F H13F 3.0572 no 2_546
H10F H13G 2.5115 no 2_546
H10F H13J 3.0716 no 2_546
H11 C63 3.3085 no 4_455
H11 C64 3.5344 no 4_455
H11 C80 3.5619 no 4_455
H11 C97 3.1843 no 4_455
H11 H63 3.3431 no 4_455
H11 H80 3.5745 no 4_455
H11 H97B 2.6025 no 4_455
H11 H97C 2.9057 no 4_455
H11A O2 3.1069 no 4_454
H11A N2 3.5738 no 4_454
H11A C17 3.4780 no 4_454
H11A C18 3.0240 no 4_454
H11A C19 3.2169 no 4_454
H11A C20 3.5528 no 4_454
H11A C119 3.3440 no 4_454
H11A C120 3.0737 no 4_454
H11A H18 3.1435 no 4_454
H11A H119 3.5075 no 4_454
H11A H120 3.0556 no 4_454
H11B C12 2.8779 no 4_454
H11B C13 2.9816 no 4_454
H11B C14 3.1528 no 4_454
H11B C17 3.2271 no 4_454
H11B C18 3.1026 no 4_454
H11B C19 2.9382 no 4_454
H11B C20 3.4109 no 4_454
H11B C27 3.3278 no 4_454
H11B C78 3.5944 no 1_455
H11B H13 3.4888 no 4_454
H11B H78A 3.5216 no 1_455
H11B H78C 2.8485 no 1_455
H11B H80 3.3792 no 1_455
H11C C19 3.5469 no 4_454
H11C C20 2.9004 no 4_454
H11C C21 2.8923 no 4_454
H11C C22 3.1226 no 4_454
H11C C25 3.3222 no 4_454
H11C C26 3.3096 no 4_454
H11C C27 3.1249 no 4_454
H11C C120 3.5186 no 4_454
H11C H21 3.3102 no 4_454
H11C H78A 3.2181 no 1_455
H11C H78C 3.1907 no 1_455
H11C H119 3.4599 no 4_454
H11C H120 3.1350 no 4_454
H12A O7 3.2762 no 4_555
H12A N1 3.4806 no 4_555
H12A C98 3.3298 no 4_555
H12A C99 3.0468 no 4_555
H12A C100 3.4568 no 4_555
H12A C112 3.3145 no 4_555
H12A C113 3.0529 no 4_555
H12A H97A 3.3199 no 4_555
H12A H99 3.1249 no 4_555
H12A H112 3.5471 no 4_555
H12A H113 3.1050 no 4_555
H12B C100 3.5907 no 4_555
H12B C101 3.4731 no 4_555
H12B C102 3.5695 no 4_555
H12B C113 3.4335 no 4_555
H12B H112 3.4613 no 4_555
H12B H113 3.0970 no 4_555
H12C C93 3.1711 no 4_555
H12C C94 3.0452 no 4_555
H12C C95 2.8940 no 4_555
H12C C98 2.8876 no 4_555
H12C C99 2.9933 no 4_555
H12C C100 3.1292 no 4_555
H12C H94 3.5971 no 4_555
H12C H96A 3.4797 no 4_555
H12C H97A 3.3809 no 4_555
H12C H99 3.5201 no 4_555
H12D O6 2.6242 no .
H12D N2 3.5505 no .
H12D C55 3.4305 no .
H12D C56 3.3536 no .
H12D C71 3.5894 no .
H12D C72 2.9462 no .
H12D C73 2.9681 no .
H12D C74 3.1600 no .
H12D C75 3.3086 no .
H12D C116 3.1795 no .
H12D H72 3.0508 no .
H12D H75 3.3716 no .
H12D H116 2.8531 no .
H12E C66 3.0757 no .
H12E C67 3.1197 no .
H12E C68 3.1232 no .
H12E C71 3.0787 no .
H12E C72 3.0115 no .
H12E C73 3.0088 no .
H12E C133 3.4110 no 1_655
H12E H13H 2.4857 no 1_655
H12E H13K 3.0698 no 1_655
H12E H72 3.5178 no .
H12F H16B 3.3413 no 4_454
H12F H50C 3.5828 no 3_666
H12F H51C 2.9997 no 3_666
H12F H69A 2.8966 no 3_666
H12F H87A 3.4809 no 4_454
H12F H88A 2.8157 no 4_454
H12G O9 3.0693 no .
H12G C16 3.3338 no 4_454
H12G H15C 2.9402 no 4_454
H12G H16A 3.4875 no 4_454
H12G H16B 2.4259 no 4_454
H12G H87A 3.2679 no 4_454
H12G H110 3.0101 no .
H12H C51 3.5931 no 3_666
H12H C60 3.5953 no .
H12H H50A 3.0137 no .
H12H H51C 2.6973 no 3_666
H12H H60C 2.7172 no .
H12H H87A 3.0170 no 4_454
H12H H88A 3.2455 no 4_454
H12H H110 2.9228 no .
H12I H13M 3.4236 no .
H12I H13R 2.9360 no .
H12I H50A 3.4017 no .
H12I H110 2.8380 no .
H12J C50 3.5187 no .
H12J C51 3.2283 no .
H12J H50A 2.6566 no .
H12J H50C 3.0526 no 3_666
H12J H51B 2.3063 no .
H12J H51C 2.9406 no 3_666
H12K C15 3.3323 no 4_454
H12K H15A 3.2128 no 4_454
H12K H15B 3.5714 no 4_454
H12K H15C 2.7298 no 4_454
H12K H67 3.4775 no 3_666
H12K H69B 3.4410 no 3_666
H12L C67 3.0288 no 3_666
H12L C68 3.4064 no 3_666
H12L H50C 3.3876 no 3_666
H12L H51B 3.5815 no .
H12L H67 2.8840 no 3_666
H12L H69B 3.4361 no 3_666
H12M C23 3.1680 no 3_667
H12M C34 3.1216 no .
H12M C35 3.5153 no .
H12M H23B 3.0590 no 3_667
H12M H23C 2.4295 no 3_667
H12M H24B 2.8517 no 3_667
H12M H24C 3.5015 no 3_667
H12M H34A 2.4225 no .
H12M H34B 3.1974 no .
H12N C23 3.1798 no .
H12N C32 3.3300 no .
H12N C34 3.2597 no .
H12N C35 3.0677 no .
H12N C36 3.5650 no .
H12N H23A 3.2455 no .
H12N H23B 2.8650 no .
H12N H23C 2.9048 no .
H12N H33B 3.1912 no .
H12N H34A 2.6326 no .
H12O H23B 3.1335 no .
H12O H36 3.3788 no 3_667
H12P C23 3.4296 no 3_667
H12P C36 3.1175 no 3_667
H12P C37 3.2664 no 3_667
H12P C39 3.4972 no 3_667
H12P C40 3.4806 no 3_667
H12P H23A 3.4323 no 3_667
H12P H23C 2.6553 no 3_667
H12P H36 3.1931 no 3_667
H12P H40 3.5142 no 3_667
H12Q C33 3.4407 no .
H12Q C34 3.3745 no .
H12Q H33B 2.4844 no .
H12Q H34A 2.4565 no .
H12R C40 3.0839 no 3_667
H12R C41 3.3771 no 3_667
H12R C42 3.2804 no 3_667
H12R H40 2.6994 no 3_667
H12R H42A 2.7971 no 3_667
H12R H42B 3.2506 no 3_667
H12S C40 3.5322 no 3_667
H12S C41 3.3805 no 3_667
H12S C42 3.4006 no 3_667
H12S H23C 2.9590 no 3_667
H12S H24B 3.3826 no 3_667
H12S H34A 2.8566 no .
H12S H40 3.5702 no 3_667
H12S H42A 3.3494 no 3_667
H12S H42B 2.9861 no 3_667
H12S H96B 3.3221 no 2_656
H13 C63 3.1344 no 4_455
H13 C64 3.3227 no 4_455
H13 C65 2.9851 no 4_455
H13 C80 3.1375 no 4_455
H13 C81 3.3296 no 4_455
H13 H11B 3.4888 no 4_555
H13 H13D 3.5262 no 2_546
H13 H13E 3.3809 no 2_546
H13 H63 2.5896 no 4_455
H13 H65 2.3319 no 4_455
H13 H80 2.5840 no 4_455
H13A C138 3.1072 no .
H13A H13L 3.4898 no .
H13A H13Q 3.5487 no .
H13A H13R 2.1840 no .
H13A H51B 3.5901 no .
H13B C51 3.1086 no .
H13B C52 3.5777 no .
H13B H51A 2.9421 no .
H13B H51B 2.5727 no .
H13B H63 3.2742 no 3_666
H13C H13I 3.2292 no .
H13C H13L 3.3966 no .
H13C H15A 3.1904 no 2_556
H13C H15B 3.3089 no 2_556
H13D C15 3.5355 no 2_556
H13D C63 3.1835 no 3_666
H13D C65 3.4979 no 3_666
H13D H13 3.5262 no 2_556
H13D H15A 3.3977 no 2_556
H13D H15B 2.8763 no 2_556
H13D H63 2.5001 no 3_666
H13D H65 2.8385 no 3_666
H13D H67 3.2915 no 3_666
H13E C13 3.5335 no 2_556
H13E C61 3.5816 no 3_666
H13E C63 3.2645 no 3_666
H13E H10C 2.9914 no 2_556
H13E H10F 3.2678 no 2_556
H13E H13 3.3809 no 2_556
H13E H15A 3.3804 no 2_556
H13E H15B 3.4588 no 2_556
H13E H61C 2.6750 no 3_666
H13E H63 2.3680 no 3_666
H13F H10F 3.0572 no 2_556
H13F H13R 3.4213 no .
H13F H53 3.3331 no .
H13F H61C 3.0947 no 3_666
H13F H63 3.5188 no 3_666
H13G C105 3.4624 no 2_556
H13G C133 3.5077 no .
H13G H10C 3.4193 no 2_556
H13G H10F 2.5115 no 2_556
H13G H13I 2.9534 no .
H13G H13J 3.2294 no .
H13G H15A 2.9862 no 2_556
H13H Cl1 3.3410 no 1_455
H13H C123 3.1483 no 1_455
H13H H12E 2.4857 no 1_455
H13H H42C 3.0190 no .
H13H H69C 3.3811 no 1_455
H13I C67 3.4124 no 1_455
H13I C69 3.3868 no 1_455
H13I H13C 3.2292 no .
H13I H13G 2.9534 no .
H13I H67 2.9877 no 1_455
H13I H69B 2.9795 no 1_455
H13I H69C 3.1559 no 1_455
H13J C41 3.5333 no .
H13J C42 3.3098 no .
H13J C105 3.3055 no 2_556
H13J H10D 2.6890 no 2_556
H13J H10F 3.0716 no 2_556
H13J H13G 3.2294 no .
H13J H42A 3.3164 no .
H13J H42C 2.7245 no .
H13K Cl1 3.4808 no 1_455
H13K C67 3.5753 no 1_455
H13K C80 3.0974 no 1_455
H13K C81 3.4015 no 1_455
H13K H12E 3.0698 no 1_455
H13K H65 3.4428 no 1_455
H13K H67 3.3480 no 1_455
H13K H80 2.8714 no 1_455
H13L H13A 3.4898 no .
H13L H13C 3.3966 no .
H13L H15B 3.1215 no 4_454
H13L H15C 3.2986 no 4_454
H13L H67 3.3008 no 1_455
H13L H80 3.4568 no 1_455
H13M O9 3.3441 no .
H13M C110 3.2169 no .
H13M C111 3.2317 no .
H13M C114 3.2925 no .
H13M H12I 3.4236 no .
H13M H15C 3.3699 no 4_454
H13M H78C 3.5611 no 1_455
H13M H80 3.5101 no 1_455
H13M H110 3.1793 no .
H13N C6 3.4182 no .
H13N C78 3.2568 no 1_455
H13N C79 3.5538 no 1_455
H13N C80 3.3946 no 1_455
H13N H6A 2.9716 no .
H13N H6B 3.0156 no .
H13N H78B 3.2024 no 1_455
H13N H78C 2.6894 no 1_455
H13N H80 2.9839 no 1_455
H13O C6 3.2718 no .
H13O C43 3.3807 no .
H13O C44 3.4002 no .
H13O C45 3.5010 no .
H13O H4 3.4837 no .
H13O H6A 2.8540 no .
H13O H6B 2.8882 no .
H13O H43A 3.4961 no .
H13O H43B 2.8111 no .
H13O H45 3.4809 no .
H13P N1 3.0288 no .
H13P C109 2.6650 no .
H13P C110 2.8201 no .
H13P C111 3.3039 no .
H13P C112 3.5888 no .
H13P C113 3.4457 no .
H13P H6A 3.5455 no .
H13P H109 2.9213 no .
H13P H110 3.1621 no .
H13Q C39 3.1025 no .
H13Q C40 3.0730 no .
H13Q C41 3.0652 no .
H13Q C44 3.0751 no .
H13Q C45 3.0948 no .
H13Q C46 3.1293 no .
H13Q H13A 3.5487 no .
H13Q H40 3.5974 no .
H13R C130 3.1703 no .
H13R H12I 2.9360 no .
H13R H13A 2.1840 no .
H13R H13F 3.4213 no .
H15A C131 3.5854 no 2_546
H15A C132 3.4687 no 2_546
H15A H12K 3.2128 no 4_555
H15A H13C 3.1904 no 2_546
H15A H13D 3.3977 no 2_546
H15A H13E 3.3804 no 2_546
H15A H13G 2.9862 no 2_546
H15A H69B 2.7711 no 2_646
H15B C131 3.4808 no 2_546
H15B H12K 3.5714 no 4_555
H15B H13C 3.3089 no 2_546
H15B H13D 2.8763 no 2_546
H15B H13E 3.4588 no 2_546
H15B H13L 3.1215 no 4_555
H15B H65 2.7186 no 4_455
H15B H80 3.4834 no 4_455
H15C O9 3.3381 no 4_555
H15C H12G 2.9402 no 4_555
H15C H12K 2.7298 no 4_555
H15C H13L 3.2986 no 4_555
H15C H13M 3.3699 no 4_555
H16A C69 2.9956 no 2_646
H16A H12G 3.4875 no 4_555
H16A H69A 2.5803 no 2_646
H16A H69B 2.7737 no 2_646
H16A H69C 3.1543 no 2_646
H16B O9 2.9107 no 4_555
H16B C127 3.2799 no 4_555
H16B H12F 3.3413 no 4_555
H16B H12G 2.4259 no 4_555
H16B H69A 3.3417 no 2_646
H18 H11A 3.1435 no 4_555
H21 H11C 3.3102 no 4_555
H23A H12N 3.2455 no .
H23A H12P 3.4323 no 3_667
H23B C124 3.5119 no .
H23B H12M 3.0590 no 3_667
H23B H12N 2.8650 no .
H23B H12O 3.1335 no .
H23C C124 3.4329 no .
H23C C124 3.0437 no 3_667
H23C C125 3.1413 no 3_667
H23C C126 3.5402 no 3_667
H23C H12M 2.4295 no 3_667
H23C H12N 2.9048 no .
H23C H12P 2.6553 no 3_667
H23C H12S 2.9590 no 3_667
H24A C77 3.3652 no 4_455
H24A C95 3.3764 no 4_455
H24A H34B 3.1124 no 3_667
H24A H77C 2.4903 no 4_455
H24A H78A 2.9756 no 4_455
H24A H96C 3.1931 no 4_455
H24B C34 3.2403 no 3_667
H24B C96 3.5503 no 4_455
H24B H12M 2.8517 no 3_667
H24B H12S 3.3826 no 3_667
H24B H34A 2.9490 no 3_667
H24B H34B 2.6557 no 3_667
H24B H96B 3.4298 no 4_455
H24B H96C 3.0680 no 4_455
H24C H12M 3.5015 no 3_667
H24C H34B 3.2538 no 3_667
H24C H77C 3.1905 no 4_455
H24C H78A 2.9699 no 4_455
H26 C76 3.4534 no 4_455
H26 C78 3.3439 no 4_455
H26 C79 3.1616 no 4_455
H26 C97 3.0983 no 4_455
H26 C98 3.3742 no 4_455
H26 H77C 3.4188 no 4_455
H26 H78A 2.7148 no 4_455
H26 H96C 2.9408 no 4_455
H26 H97B 2.5080 no 4_455
H26 H97C 3.1106 no 4_455
H33A Cl2 3.4032 no .
H33B C126 3.4539 no .
H33B H12N 3.1912 no .
H33B H12Q 2.4844 no .
H33C Cl2 3.5920 no .
H33C H92 3.5329 no 2_656
H34A C124 2.9353 no .
H34A C125 3.5189 no .
H34A C126 3.0011 no .
H34A H12M 2.4225 no .
H34A H12N 2.6326 no .
H34A H12Q 2.4565 no .
H34A H12S 2.8566 no .
H34A H24B 2.9490 no 3_667
H34A H94 3.1751 no 2_656
H34B C24 3.1755 no 3_667
H34B C90 3.5059 no 2_656
H34B C94 3.5596 no 2_656
H34B H12M 3.1974 no .
H34B H24A 3.1124 no 3_667
H34B H24B 2.6557 no 3_667
H34B H24C 3.2538 no 3_667
H34B H90 3.0574 no 2_656
H34B H92 3.4338 no 2_656
H34B H94 3.1802 no 2_656
H34C C90 3.4425 no 2_656
H34C C91 3.5973 no 2_656
H34C C92 3.1188 no 2_656
H34C C93 3.4754 no 2_656
H34C C94 3.2288 no 2_656
H34C H90 2.8125 no 2_656
H34C H92 2.3736 no 2_656
H34C H94 2.5954 no 2_656
H36 H12O 3.3788 no 3_667
H36 H12P 3.1931 no 3_667
H36 H88C 3.1351 no 2_656
H36 H90 3.4063 no 2_656
H38 H88C 3.4821 no 2_656
H40 C105 3.3692 no 2_556
H40 C126 3.4615 no 3_667
H40 H10D 3.2811 no 2_556
H40 H10E 2.7359 no 2_556
H40 H12P 3.5142 no 3_667
H40 H12R 2.6994 no 3_667
H40 H12S 3.5702 no 3_667
H40 H13Q 3.5974 no .
H42A C105 3.2627 no 2_556
H42A C126 3.5043 no 3_667
H42A H10D 2.5959 no 2_556
H42A H10E 3.0534 no 2_556
H42A H12R 2.7971 no 3_667
H42A H12S 3.3494 no 3_667
H42A H13J 3.3164 no .
H42B C96 3.3580 no 4_455
H42B C126 3.5565 no 3_667
H42B H12R 3.2506 no 3_667
H42B H12S 2.9861 no 3_667
H42B H96A 3.3420 no 4_455
H42B H96B 2.6582 no 4_455
H42C C133 3.2456 no .
H42C H10D 3.2873 no 2_556
H42C H13H 3.0190 no .
H42C H13J 2.7245 no .
H42C H134 3.2240 no .
H43A H13O 3.4961 no .
H43A H96C 3.3758 no 4_455
H43B H13O 2.8111 no .
H43B H134 2.9848 no .
H43C C96 2.7175 no 4_455
H43C H96A 2.5018 no 4_455
H43C H96B 2.7156 no 4_455
H43C H96C 2.4786 no 4_455
H45 H13O 3.4809 no .
H50A C51 3.1396 no 3_666
H50A C128 3.4129 no .
H50A H12H 3.0137 no .
H50A H12I 3.4017 no .
H50A H12J 2.6566 no .
H50A H51A 3.3766 no 3_666
H50A H51B 2.8967 no 3_666
H50A H51C 2.6692 no 3_666
H50C C51 3.2740 no 3_666
H50C H12F 3.5828 no 3_666
H50C H12J 3.0526 no 3_666
H50C H12L 3.3876 no 3_666
H50C H51A 3.5227 no 3_666
H50C H51B 2.5923 no 3_666
H50C H51C 3.2503 no 3_666
H51A C61 2.8583 no 3_666
H51A C62 3.1994 no 3_666
H51A H13B 2.9421 no .
H51A H50A 3.3766 no 3_666
H51A H50C 3.5227 no 3_666
H51A H60C 3.2634 no 3_666
H51A H61A 2.1663 no 3_666
H51A H61C 3.0040 no 3_666
H51A H88A 3.3824 no 2_656
H51B C50 3.1751 no 3_666
H51B C128 3.2474 no .
H51B C129 3.5591 no .
H51B C130 3.4064 no .
H51B H12J 2.3063 no .
H51B H12L 3.5815 no .
H51B H13A 3.5901 no .
H51B H13B 2.5727 no .
H51B H50A 2.8967 no 3_666
H51B H50C 2.5923 no 3_666
H51B H51B 3.4389 no 3_666
H51B H51C 3.2780 no 3_666
H51C C50 3.3874 no 3_666
H51C C127 3.2000 no 3_666
H51C C128 3.5906 no 3_666
H51C H12F 2.9997 no 3_666
H51C H12H 2.6973 no 3_666
H51C H12J 2.9406 no 3_666
H51C H50A 2.6692 no 3_666
H51C H50C 3.2503 no 3_666
H51C H51B 3.2780 no 3_666
H51C H60C 3.5091 no 3_666
H51C H61A 3.4377 no 3_666
H51C H88A 3.1797 no 2_656
H53 C61 3.4861 no 3_666
H53 C88 3.2205 no 2_656
H53 H13F 3.3331 no .
H53 H61A 2.8652 no 3_666
H53 H61C 3.2060 no 3_666
H53 H88A 3.2646 no 2_656
H53 H88B 2.8086 no 2_656
H53 H88C 3.0612 no 2_656
H60A O11 3.5208 no 4_454
H60A H87A 3.4394 no 4_454
H60B O11 3.4279 no 4_454
H60B C7 3.3499 no 4_554
H60B C87 3.1144 no 4_454
H60B H7A 2.4292 no 4_554
H60B H7B 3.5574 no 4_554
H60B H9 3.1399 no 4_554
H60B H87A 2.9159 no 4_454
H60B H87B 3.1431 no 4_454
H60B H87C 2.7661 no 4_454
H60C C87 3.1506 no 4_454
H60C H12H 2.7172 no .
H60C H51A 3.2634 no 3_666
H60C H51C 3.5091 no 3_666
H60C H87A 2.4962 no 4_454
H60C H87B 3.4786 no 4_454
H60C H87C 3.0506 no 4_454
H61A C51 3.1195 no 3_666
H61A H51A 2.1663 no 3_666
H61A H51C 3.4377 no 3_666
H61A H53 2.8652 no 3_666
H61A H87C 3.1910 no 4_454
H61A H88A 3.5120 no 4_454
H61A H88B 2.9819 no 4_454
H61B C7 2.9660 no 4_554
H61B C8 2.9993 no 4_554
H61B C9 2.7411 no 4_554
H61B H7A 2.6376 no 4_554
H61B H7B 2.8596 no 4_554
H61B H9 2.3783 no 4_554
H61B H87C 3.2708 no 4_454
H61C C132 3.3036 no 3_666
H61C H9 3.4962 no 4_554
H61C H13E 2.6750 no 3_666
H61C H13F 3.0947 no 3_666
H61C H51A 3.0040 no 3_666
H61C H53 3.2060 no 3_666
H63 C13 3.2265 no 4_554
H63 C131 3.1675 no 3_666
H63 C132 3.1120 no 3_666
H63 H11 3.3431 no 4_554
H63 H13 2.5896 no 4_554
H63 H13B 3.2742 no 3_666
H63 H13D 2.5001 no 3_666
H63 H13E 2.3680 no 3_666
H63 H13F 3.5188 no 3_666
H65 C13 3.2533 no 4_554
H65 H13 2.3319 no 4_554
H65 H13D 2.8385 no 3_666
H65 H13K 3.4428 no 1_655
H65 H15B 2.7186 no 4_554
H67 H12K 3.4775 no 3_666
H67 H12L 2.8840 no 3_666
H67 H13D 3.2915 no 3_666
H67 H13I 2.9877 no 1_655
H67 H13K 3.3480 no 1_655
H67 H13L 3.3008 no 1_655
H69A C16 3.3262 no 2_656
H69A H12F 2.8966 no 3_666
H69A H16A 2.5803 no 2_656
H69A H16B 3.3417 no 2_656
H69B H12K 3.4410 no 3_666
H69B H12L 3.4361 no 3_666
H69B H13I 2.9795 no 1_655
H69B H15A 2.7711 no 2_656
H69B H16A 2.7737 no 2_656
H69C C133 3.5890 no 1_655
H69C H13H 3.3811 no 1_655
H69C H13I 3.1559 no 1_655
H69C H16A 3.1543 no 2_656
H69C H107 3.4520 no 2_656
H70A H88C 3.1829 no 2_656
H70A H90 3.3222 no 2_656
H70B C88 3.0901 no 2_656
H70B C89 3.3621 no 2_656
H70B C90 3.0738 no 2_656
H70B H88A 2.9946 no 2_656
H70B H88C 2.5926 no 2_656
H70B H90 2.5580 no 2_656
H70C Cl2 3.2901 no .
H70C H90 2.9841 no 2_656
H72 H12D 3.0508 no .
H72 H12E 3.5178 no .
H75 H12D 3.3716 no .
H77B C7 3.5870 no 1_655
H77B H6C 2.9473 no 1_655
H77B H7B 2.8944 no 1_655
H77B H7C 3.3847 no 1_655
H77C C24 3.2531 no 4_554
H77C H24A 2.4903 no 4_554
H77C H24C 3.1905 no 4_554
H77C H26 3.4188 no 4_554
H78A C24 3.1830 no 4_554
H78A C25 3.1257 no 4_554
H78A C26 2.9407 no 4_554
H78A H11B 3.5216 no 1_655
H78A H11C 3.2181 no 1_655
H78A H24A 2.9756 no 4_554
H78A H24C 2.9699 no 4_554
H78A H26 2.7148 no 4_554
H78B C6 2.8633 no 1_655
H78B H6A 2.8589 no 1_655
H78B H6B 2.9727 no 1_655
H78B H6C 2.3100 no 1_655
H78B H13N 3.2024 no 1_655
H78C O10 2.8848 no 1_655
H78C C114 3.5399 no 1_655
H78C C115 3.1527 no 1_655
H78C C136 3.5389 no 1_655
H78C H11B 2.8485 no 1_655
H78C H11C 3.1907 no 1_655
H78C H13M 3.5611 no 1_655
H78C H13N 2.6894 no 1_655
H80 C13 3.1234 no 4_554
H80 C135 3.3676 no 1_655
H80 C136 3.4687 no 1_655
H80 H11 3.5745 no 4_554
H80 H11B 3.3792 no 1_655
H80 H13 2.5840 no 4_554
H80 H13K 2.8714 no 1_655
H80 H13L 3.4568 no 1_655
H80 H13M 3.5101 no 1_655
H80 H13N 2.9839 no 1_655
H80 H15B 3.4834 no 4_554
H87A C60 3.0911 no 4_555
H87A C127 3.4403 no 4_555
H87A H12F 3.4809 no 4_555
H87A H12G 3.2679 no 4_555
H87A H12H 3.0170 no 4_555
H87A H60A 3.4394 no 4_555
H87A H60B 2.9159 no 4_555
H87A H60C 2.4962 no 4_555
H87B H7A 3.3930 no 1_655
H87B H7B 3.5902 no 1_655
H87B H60B 3.1431 no 4_555
H87B H60C 3.4786 no 4_555
H87C C7 3.1999 no 1_655
H87C C60 3.3554 no 4_555
H87C H7A 2.8699 no 1_655
H87C H7B 2.6777 no 1_655
H87C H60B 2.7661 no 4_555
H87C H60C 3.0506 no 4_555
H87C H61A 3.1910 no 4_555
H87C H61B 3.2708 no 4_555
H88A C51 3.5099 no 2_646
H88A C52 3.4374 no 2_646
H88A C53 3.3470 no 2_646
H88A C127 3.4317 no 4_555
H88A H12F 2.8157 no 4_555
H88A H12H 3.2455 no 4_555
H88A H51A 3.3824 no 2_646
H88A H51C 3.1797 no 2_646
H88A H53 3.2646 no 2_646
H88A H61A 3.5120 no 4_555
H88A H70B 2.9946 no 2_646
H88B C53 3.2614 no 2_646
H88B H53 2.8086 no 2_646
H88B H61A 2.9819 no 4_555
H88C C36 3.1904 no 2_646
H88C C37 3.3137 no 2_646
H88C C38 3.5348 no 2_646
H88C C53 3.0574 no 2_646
H88C C54 3.2372 no 2_646
H88C C70 3.3136 no 2_646
H88C H36 3.1351 no 2_646
H88C H38 3.4821 no 2_646
H88C H53 3.0612 no 2_646
H88C H70A 3.1829 no 2_646
H88C H70B 2.5926 no 2_646
H90 C34 3.1658 no 2_646
H90 C35 3.1889 no 2_646
H90 C36 3.3720 no 2_646
H90 C70 3.1117 no 2_646
H90 H34B 3.0574 no 2_646
H90 H34C 2.8125 no 2_646
H90 H36 3.4063 no 2_646
H90 H70A 3.3222 no 2_646
H90 H70B 2.5580 no 2_646
H90 H70C 2.9841 no 2_646
H92 C34 3.2746 no 2_646
H92 H33C 3.5329 no 2_646
H92 H34B 3.4338 no 2_646
H92 H34C 2.3736 no 2_646
H94 C34 3.1488 no 2_646
H94 H12C 3.5971 no 4_454
H94 H34A 3.1751 no 2_646
H94 H34B 3.1802 no 2_646
H94 H34C 2.5954 no 2_646
H96A O11 3.2099 no 4_454
H96A C43 3.4227 no 4_554
H96A H12C 3.4797 no 4_454
H96A H42B 3.3420 no 4_554
H96A H43C 2.5018 no 4_554
H96B H12S 3.3221 no 2_646
H96B H24B 3.4298 no 4_554
H96B H42B 2.6582 no 4_554
H96B H43C 2.7156 no 4_554
H96C C24 3.2743 no 4_554
H96C C25 2.9930 no 4_554
H96C C26 2.8698 no 4_554
H96C C27 3.4763 no 4_554
H96C C43 3.3201 no 4_554
H96C H24A 3.1931 no 4_554
H96C H24B 3.0680 no 4_554
H96C H26 2.9408 no 4_554
H96C H43A 3.3758 no 4_554
H96C H43C 2.4786 no 4_554
H97A O11 2.4801 no 4_454
H97A C9 3.5084 no 4_554
H97A H7A 3.5526 no 4_554
H97A H9 2.7662 no 4_554
H97A H12A 3.3199 no 4_454
H97A H12C 3.3809 no 4_454
H97B C9 3.0567 no 4_554
H97B C10 3.2787 no 4_554
H97B C11 3.0732 no 4_554
H97B C26 2.9215 no 4_554
H97B C27 3.1815 no 4_554
H97B H9 2.5936 no 4_554
H97B H11 2.6025 no 4_554
H97B H26 2.5080 no 4_554
H97C H9 3.1588 no 4_554
H97C H11 2.9057 no 4_554
H97C H26 3.1106 no 4_554
H99 H12A 3.1249 no 4_454
H99 H12C 3.5201 no 4_454
H107 H69C 3.4520 no 2_646
H109 H13P 2.9213 no .
H110 C127 3.2904 no .
H110 C128 3.5473 no .
H110 H12G 3.0101 no .
H110 H12H 2.9228 no .
H110 H12I 2.8380 no .
H110 H13M 3.1793 no .
H110 H13P 3.1621 no .
H112 O12 3.3938 no 4_454
H112 H12A 3.5471 no 4_454
H112 H12B 3.4613 no 4_454
H113 C122 3.5200 no 4_454
H113 H12A 3.1050 no 4_454
H113 H12B 3.0970 no 4_454
H116 Cl1 3.4058 no .
H116 C123 3.4334 no .
H116 H12D 2.8531 no .
H117 Cl1 3.5038 no .
H117 C7 3.1196 no 1_655
H117 H7A 2.7382 no 1_655
H117 H7B 3.5708 no 1_655
H117 H7C 2.6628 no 1_655
H119 O10 3.3445 no 4_555
H119 H11A 3.5075 no 4_555
H119 H11C 3.4599 no 4_555
H120 C115 3.5101 no 4_555
H120 H11A 3.0556 no 4_555
H120 H11C 3.1350 no 4_555
H134 Cl1 3.4713 no 1_455
H134 H6B 3.5418 no .
H134 H42C 3.2240 no .
H134 H43B 2.9848 no .
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
Rh2 Rh1 O1 C1 5.10(13) no . . .
O1 Rh1 Rh2 O2 -2.37(6) no . . .
O1 Rh1 Rh2 O4 -91.37(6) no . . .
O1 Rh1 Rh2 O6 177.81(6) no . . .
O1 Rh1 Rh2 O8 88.25(6) no . . .
Rh2 Rh1 O3 C28 4.35(14) no . . .
O3 Rh1 Rh2 O2 86.67(6) no . . .
O3 Rh1 Rh2 O4 -2.33(6) no . . .
O3 Rh1 Rh2 O6 -93.16(6) no . . .
O3 Rh1 Rh2 O8 177.28(6) no . . .
Rh2 Rh1 O5 C55 4.63(13) no . . .
O5 Rh1 Rh2 O2 177.83(6) no . . .
O5 Rh1 Rh2 O4 88.82(6) no . . .
O5 Rh1 Rh2 O6 -2.00(6) no . . .
O5 Rh1 Rh2 O8 -91.56(6) no . . .
Rh2 Rh1 O7 C82 3.15(14) no . . .
O7 Rh1 Rh2 O2 -91.93(6) no . . .
O7 Rh1 Rh2 O4 179.06(6) no . . .
O7 Rh1 Rh2 O6 88.24(6) no . . .
O7 Rh1 Rh2 O8 -1.32(6) no . . .
O1 Rh1 O3 C28 92.00(15) no . . .
O3 Rh1 O1 C1 -83.20(14) no . . .
O1 Rh1 O7 C82 -84.47(15) no . . .
O7 Rh1 O1 C1 94.20(14) no . . .
O1 Rh1 N1 C109 141.12(17) no . . .
O1 Rh1 N1 C113 -43.94(19) no . . .
N1 Rh1 O1 C1 -174.71(14) no . . .
O3 Rh1 O5 C55 92.83(15) no . . .
O5 Rh1 O3 C28 -83.04(15) no . . .
O3 Rh1 N1 C109 52.06(18) no . . .
O3 Rh1 N1 C113 -133.00(18) no . . .
N1 Rh1 O3 C28 -174.39(16) no . . .
O5 Rh1 O7 C82 90.57(15) no . . .
O7 Rh1 O5 C55 -84.44(15) no . . .
O5 Rh1 N1 C109 -39.06(18) no . . .
O5 Rh1 N1 C113 135.88(18) no . . .
N1 Rh1 O5 C55 -175.57(15) no . . .
O7 Rh1 N1 C109 -129.28(18) no . . .
O7 Rh1 N1 C113 45.66(19) no . . .
N1 Rh1 O7 C82 -178.10(16) no . . .
Rh1 Rh2 O2 C1 0.49(13) no . . .
Rh1 Rh2 O4 C28 1.19(14) no . . .
Rh1 Rh2 O6 C55 0.14(13) no . . .
Rh1 Rh2 O8 C82 -0.05(14) no . . .
O2 Rh2 O4 C28 -87.17(15) no . . .
O4 Rh2 O2 C1 88.10(14) no . . .
O2 Rh2 O8 C82 88.23(16) no . . .
O8 Rh2 O2 C1 -86.38(14) no . . .
O2 Rh2 N2 C116 131.48(17) no . . .
O2 Rh2 N2 C120 -44.17(16) no . . .
N2 Rh2 O2 C1 -179.83(15) no . . .
O4 Rh2 O6 C55 -87.42(14) no . . .
O6 Rh2 O4 C28 89.62(15) no . . .
O4 Rh2 N2 C116 -139.62(17) no . . .
O4 Rh2 N2 C120 44.73(16) no . . .
N2 Rh2 O4 C28 -176.40(15) no . . .
O6 Rh2 O8 C82 -88.54(16) no . . .
O8 Rh2 O6 C55 87.04(14) no . . .
O6 Rh2 N2 C116 -48.71(17) no . . .
O6 Rh2 N2 C120 135.64(16) no . . .
N2 Rh2 O6 C55 -179.53(14) no . . .
O8 Rh2 N2 C116 41.00(17) no . . .
O8 Rh2 N2 C120 -134.65(16) no . . .
N2 Rh2 O8 C82 177.53(16) no . . .
Rh1 O1 C1 O2 -6.5(3) no . . .
Rh1 O1 C1 C2 174.84(13) no . . .
Rh2 O2 C1 O1 3.6(3) no . . .
Rh2 O2 C1 C2 -177.67(12) no . . .
Rh1 O3 C28 O4 -4.8(4) no . . .
Rh1 O3 C28 C29 174.56(13) no . . .
Rh2 O4 C28 O3 2.0(4) no . . .
Rh2 O4 C28 C29 -177.40(15) no . . .
Rh1 O5 C55 O6 -6.1(3) no . . .
Rh1 O5 C55 C56 175.74(13) no . . .
Rh2 O6 C55 O5 3.6(3) no . . .
Rh2 O6 C55 C56 -178.14(12) no . . .
Rh1 O7 C82 O8 -4.2(4) no . . .
Rh1 O7 C82 C83 175.24(14) no . . .
Rh2 O8 C82 O7 2.7(4) no . . .
Rh2 O8 C82 C83 -176.79(15) no . . .
C115 O10 C114 O9 -1.7(6) no . . .
C115 O10 C114 C111 176.7(3) no . . .
C122 O12 C121 O11 -1.8(8) no . . .
C122 O12 C121 C118 -178.7(4) no . . .
Rh1 N1 C109 C110 175.6(2) no . . .
Rh1 N1 C113 C112 -176.0(2) no . . .
C109 N1 C113 C112 -1.0(5) no . . .
C113 N1 C109 C110 0.4(5) no . . .
Rh2 N2 C116 C117 -175.0(2) no . . .
Rh2 N2 C120 C119 174.7(2) no . . .
C116 N2 C120 C119 -1.2(5) no . . .
C120 N2 C116 C117 0.6(5) no . . .
O1 C1 C2 C3 -7.9(3) no . . .
O1 C1 C2 C19 113.5(2) no . . .
O1 C1 C2 C20 -129.3(2) no . . .
O2 C1 C2 C3 173.3(2) no . . .
O2 C1 C2 C19 -65.3(3) no . . .
O2 C1 C2 C20 51.9(3) no . . .
C1 C2 C3 C4 -2.4(4) no . . .
C1 C2 C3 C10 -179.8(2) no . . .
C1 C2 C19 C12 176.3(2) no . . .
C1 C2 C19 C18 -3.0(4) no . . .
C1 C2 C20 C21 8.9(4) no . . .
C1 C2 C20 C27 -174.1(2) no . . .
C3 C2 C19 C12 -54.8(3) no . . .
C3 C2 C19 C18 125.8(3) no . . .
C19 C2 C3 C4 -126.4(3) no . . .
C19 C2 C3 C10 56.1(3) no . . .
C3 C2 C20 C21 -120.2(3) no . . .
C3 C2 C20 C27 56.8(3) no . . .
C20 C2 C3 C4 122.7(3) no . . .
C20 C2 C3 C10 -54.8(3) no . . .
C19 C2 C20 C21 129.1(3) no . . .
C19 C2 C20 C27 -53.9(3) no . . .
C20 C2 C19 C12 55.3(3) no . . .
C20 C2 C19 C18 -124.0(3) no . . .
C2 C3 C4 C5 -175.5(2) no . . .
C2 C3 C10 C9 174.8(2) no . . .
C2 C3 C10 C11 -2.0(3) no . . .
C4 C3 C10 C9 -2.9(4) no . . .
C4 C3 C10 C11 -179.8(2) no . . .
C10 C3 C4 C5 1.8(4) no . . .
C3 C4 C5 C6 178.8(3) no . . .
C3 C4 C5 C8 0.7(5) no . . .
C4 C5 C8 C7 176.4(3) no . . .
C4 C5 C8 C9 -2.0(5) no . . .
C6 C5 C8 C7 -1.7(5) no . . .
C6 C5 C8 C9 179.9(3) no . . .
C5 C8 C9 C10 0.9(4) no . . .
C7 C8 C9 C10 -177.5(3) no . . .
C8 C9 C10 C3 1.6(4) no . . .
C8 C9 C10 C11 178.1(2) no . . .
C3 C10 C11 C12 -54.1(3) no . . .
C3 C10 C11 C27 57.9(3) no . . .
C9 C10 C11 C12 129.3(3) no . . .
C9 C10 C11 C27 -118.7(3) no . . .
C10 C11 C12 C13 -126.1(3) no . . .
C10 C11 C12 C19 55.6(3) no . . .
C10 C11 C27 C20 -55.6(3) no . . .
C10 C11 C27 C26 121.3(3) no . . .
C12 C11 C27 C20 56.5(3) no . . .
C12 C11 C27 C26 -126.6(3) no . . .
C27 C11 C12 C13 122.9(3) no . . .
C27 C11 C12 C19 -55.4(3) no . . .
C11 C12 C13 C14 -178.3(2) no . . .
C11 C12 C19 C2 -0.7(3) no . . .
C11 C12 C19 C18 178.6(2) no . . .
C13 C12 C19 C2 -179.2(2) no . . .
C13 C12 C19 C18 0.2(4) no . . .
C19 C12 C13 C14 -0.1(4) no . . .
C12 C13 C14 C15 177.8(3) no . . .
C12 C13 C14 C17 -0.9(5) no . . .
C13 C14 C17 C16 -179.3(3) no . . .
C13 C14 C17 C18 1.8(5) no . . .
C15 C14 C17 C16 2.1(5) no . . .
C15 C14 C17 C18 -176.9(3) no . . .
C14 C17 C18 C19 -1.7(4) no . . .
C16 C17 C18 C19 179.3(3) no . . .
C17 C18 C19 C2 -180.0(2) no . . .
C17 C18 C19 C12 0.7(4) no . . .
C2 C20 C21 C22 176.7(2) no . . .
C2 C20 C27 C11 -1.3(3) no . . .
C2 C20 C27 C26 -178.5(2) no . . .
C21 C20 C27 C11 176.0(2) no . . .
C21 C20 C27 C26 -1.2(4) no . . .
C27 C20 C21 C22 -0.2(4) no . . .
C20 C21 C22 C23 -177.7(2) no . . .
C20 C21 C22 C25 0.9(5) no . . .
C21 C22 C25 C24 -177.7(3) no . . .
C21 C22 C25 C26 -0.3(5) no . . .
C23 C22 C25 C24 0.9(5) no . . .
C23 C22 C25 C26 178.3(3) no . . .
C22 C25 C26 C27 -1.1(5) no . . .
C24 C25 C26 C27 176.4(3) no . . .
C25 C26 C27 C11 -174.9(3) no . . .
C25 C26 C27 C20 1.8(4) no . . .
O3 C28 C29 C30 -176.5(2) no . . .
O3 C28 C29 C46 60.7(3) no . . .
O3 C28 C29 C47 -56.5(3) no . . .
O4 C28 C29 C30 3.0(4) no . . .
O4 C28 C29 C46 -119.9(3) no . . .
O4 C28 C29 C47 122.9(3) no . . .
C28 C29 C30 C31 -0.2(5) no . . .
C28 C29 C30 C37 177.6(2) no . . .
C28 C29 C46 C39 -174.6(2) no . . .
C28 C29 C46 C45 6.7(4) no . . .
C28 C29 C47 C48 -7.6(4) no . . .
C28 C29 C47 C54 174.5(2) no . . .
C30 C29 C46 C39 55.2(3) no . . .
C30 C29 C46 C45 -123.5(3) no . . .
C46 C29 C30 C31 126.0(3) no . . .
C46 C29 C30 C37 -56.2(3) no . . .
C30 C29 C47 C48 120.6(3) no . . .
C30 C29 C47 C54 -57.2(3) no . . .
C47 C29 C30 C31 -122.9(3) no . . .
C47 C29 C30 C37 54.9(3) no . . .
C46 C29 C47 C48 -128.7(3) no . . .
C46 C29 C47 C54 53.4(3) no . . .
C47 C29 C46 C39 -54.8(3) no . . .
C47 C29 C46 C45 126.4(3) no . . .
C29 C30 C31 C32 177.9(3) no . . .
C29 C30 C37 C36 -177.5(2) no . . .
C29 C30 C37 C38 1.3(4) no . . .
C31 C30 C37 C36 0.5(5) no . . .
C31 C30 C37 C38 179.4(3) no . . .
C37 C30 C31 C32 0.3(5) no . . .
C30 C31 C32 C33 -179.8(3) no . . .
C30 C31 C32 C35 -1.1(5) no . . .
C31 C32 C35 C34 -178.2(3) no . . .
C31 C32 C35 C36 1.2(5) no . . .
C33 C32 C35 C34 0.4(6) no . . .
C33 C32 C35 C36 179.8(3) no . . .
C32 C35 C36 C37 -0.5(6) no . . .
C34 C35 C36 C37 179.0(3) no . . .
C35 C36 C37 C30 -0.4(5) no . . .
C35 C36 C37 C38 -179.1(3) no . . .
C30 C37 C38 C39 54.8(3) no . . .
C30 C37 C38 C54 -57.0(3) no . . .
C36 C37 C38 C39 -126.4(3) no . . .
C36 C37 C38 C54 121.7(3) no . . .
C37 C38 C39 C40 122.4(3) no . . .
C37 C38 C39 C46 -55.9(3) no . . .
C37 C38 C54 C47 54.8(3) no . . .
C37 C38 C54 C53 -122.1(3) no . . .
C39 C38 C54 C47 -56.6(3) no . . .
C39 C38 C54 C53 126.4(3) no . . .
C54 C38 C39 C40 -126.5(3) no . . .
C54 C38 C39 C46 55.2(3) no . . .
C38 C39 C40 C41 -178.9(3) no . . .
C38 C39 C46 C29 0.8(4) no . . .
C38 C39 C46 C45 179.7(2) no . . .
C40 C39 C46 C29 -177.7(3) no . . .
C40 C39 C46 C45 1.2(4) no . . .
C46 C39 C40 C41 -0.7(5) no . . .
C39 C40 C41 C42 179.6(3) no . . .
C39 C40 C41 C44 0.1(5) no . . .
C40 C41 C44 C43 -179.3(3) no . . .
C40 C41 C44 C45 -0.1(5) no . . .
C42 C41 C44 C43 1.2(5) no . . .
C42 C41 C44 C45 -179.6(3) no . . .
C41 C44 C45 C46 0.6(4) no . . .
C43 C44 C45 C46 179.9(3) no . . .
C44 C45 C46 C29 177.5(3) no . . .
C44 C45 C46 C39 -1.2(4) no . . .
C29 C47 C48 C49 -177.3(2) no . . .
C29 C47 C54 C38 1.9(4) no . . .
C29 C47 C54 C53 179.1(2) no . . .
C48 C47 C54 C38 -176.1(2) no . . .
C48 C47 C54 C53 1.0(4) no . . .
C54 C47 C48 C49 0.4(4) no . . .
C47 C48 C49 C50 178.1(3) no . . .
C47 C48 C49 C52 -1.3(5) no . . .
C48 C49 C52 C51 -179.8(3) no . . .
C48 C49 C52 C53 0.7(5) no . . .
C50 C49 C52 C51 0.8(5) no . . .
C50 C49 C52 C53 -178.7(3) no . . .
C49 C52 C53 C54 0.8(5) no . . .
C51 C52 C53 C54 -178.7(3) no . . .
C52 C53 C54 C38 175.1(3) no . . .
C52 C53 C54 C47 -1.7(5) no . . .
O5 C55 C56 C57 -5.5(4) no . . .
O5 C55 C56 C73 115.6(2) no . . .
O5 C55 C56 C74 -126.4(2) no . . .
O6 C55 C56 C57 176.2(2) no . . .
O6 C55 C56 C73 -62.7(3) no . . .
O6 C55 C56 C74 55.3(3) no . . .
C55 C56 C57 C58 -2.8(4) no . . .
C55 C56 C57 C64 178.4(2) no . . .
C55 C56 C73 C66 174.3(2) no . . .
C55 C56 C73 C72 -6.1(4) no . . .
C55 C56 C74 C75 7.3(4) no . . .
C55 C56 C74 C81 -175.2(2) no . . .
C57 C56 C73 C66 -56.8(3) no . . .
C57 C56 C73 C72 122.8(3) no . . .
C73 C56 C57 C58 -126.7(3) no . . .
C73 C56 C57 C64 54.4(3) no . . .
C57 C56 C74 C75 -121.7(3) no . . .
C57 C56 C74 C81 55.8(3) no . . .
C74 C56 C57 C58 121.7(3) no . . .
C74 C56 C57 C64 -57.2(3) no . . .
C73 C56 C74 C75 127.8(3) no . . .
C73 C56 C74 C81 -54.7(3) no . . .
C74 C56 C73 C66 53.2(3) no . . .
C74 C56 C73 C72 -127.2(3) no . . .
C56 C57 C58 C59 179.4(3) no . . .
C56 C57 C64 C63 -179.1(2) no . . .
C56 C57 C64 C65 1.7(3) no . . .
C58 C57 C64 C63 1.9(4) no . . .
C58 C57 C64 C65 -177.4(2) no . . .
C64 C57 C58 C59 -1.8(4) no . . .
C57 C58 C59 C60 -179.6(3) no . . .
C57 C58 C59 C62 0.3(5) no . . .
C58 C59 C62 C61 -179.0(3) no . . .
C58 C59 C62 C63 1.1(5) no . . .
C60 C59 C62 C61 0.9(5) no . . .
C60 C59 C62 C63 -179.0(3) no . . .
C59 C62 C63 C64 -1.1(5) no . . .
C61 C62 C63 C64 179.1(3) no . . .
C62 C63 C64 C57 -0.5(5) no . . .
C62 C63 C64 C65 178.7(3) no . . .
C57 C64 C65 C66 -56.8(3) no . . .
C57 C64 C65 C81 55.4(3) no . . .
C63 C64 C65 C66 124.1(3) no . . .
C63 C64 C65 C81 -123.8(3) no . . .
C64 C65 C66 C67 -124.6(3) no . . .
C64 C65 C66 C73 54.5(3) no . . .
C64 C65 C81 C74 -56.7(3) no . . .
C64 C65 C81 C80 121.6(3) no . . .
C66 C65 C81 C74 55.1(3) no . . .
C66 C65 C81 C80 -126.6(3) no . . .
C81 C65 C66 C67 124.0(3) no . . .
C81 C65 C66 C73 -56.9(3) no . . .
C65 C66 C67 C68 178.0(3) no . . .
C65 C66 C73 C56 2.2(4) no . . .
C65 C66 C73 C72 -177.4(2) no . . .
C67 C66 C73 C56 -178.7(3) no . . .
C67 C66 C73 C72 1.7(5) no . . .
C73 C66 C67 C68 -1.0(5) no . . .
C66 C67 C68 C69 179.1(3) no . . .
C66 C67 C68 C71 -0.7(5) no . . .
C67 C68 C71 C70 -178.1(3) no . . .
C67 C68 C71 C72 1.6(5) no . . .
C69 C68 C71 C70 2.1(5) no . . .
C69 C68 C71 C72 -178.2(3) no . . .
C68 C71 C72 C73 -0.9(5) no . . .
C70 C71 C72 C73 178.9(3) no . . .
C71 C72 C73 C56 179.6(3) no . . .
C71 C72 C73 C66 -0.8(4) no . . .
C56 C74 C75 C76 177.2(2) no . . .
C56 C74 C81 C65 0.6(3) no . . .
C56 C74 C81 C80 -177.8(2) no . . .
C75 C74 C81 C65 178.3(2) no . . .
C75 C74 C81 C80 -0.1(4) no . . .
C81 C74 C75 C76 -0.1(4) no . . .
C74 C75 C76 C77 -180.0(2) no . . .
C74 C75 C76 C79 -0.3(4) no . . .
C75 C76 C79 C78 -178.6(2) no . . .
C75 C76 C79 C80 0.8(4) no . . .
C77 C76 C79 C78 1.1(5) no . . .
C77 C76 C79 C80 -179.5(3) no . . .
C76 C79 C80 C81 -1.1(4) no . . .
C78 C79 C80 C81 178.4(3) no . . .
C79 C80 C81 C65 -177.5(3) no . . .
C79 C80 C81 C74 0.7(4) no . . .
O7 C82 C83 C84 179.8(2) no . . .
O7 C82 C83 C100 58.1(3) no . . .
O7 C82 C83 C101 -59.4(3) no . . .
O8 C82 C83 C84 -0.7(4) no . . .
O8 C82 C83 C100 -122.4(3) no . . .
O8 C82 C83 C101 120.1(3) no . . .
C82 C83 C84 C85 2.7(5) no . . .
C82 C83 C84 C91 -179.0(2) no . . .
C82 C83 C100 C93 -173.7(2) no . . .
C82 C83 C100 C99 8.0(4) no . . .
C82 C83 C101 C102 -8.1(4) no . . .
C82 C83 C101 C108 176.2(2) no . . .
C84 C83 C100 C93 56.6(3) no . . .
C84 C83 C100 C99 -121.7(3) no . . .
C100 C83 C84 C85 127.6(3) no . . .
C100 C83 C84 C91 -54.2(3) no . . .
C84 C83 C101 C102 121.1(3) no . . .
C84 C83 C101 C108 -54.7(3) no . . .
C101 C83 C84 C85 -121.4(3) no . . .
C101 C83 C84 C91 56.8(3) no . . .
C100 C83 C101 C102 -128.7(3) no . . .
C100 C83 C101 C108 55.5(3) no . . .
C101 C83 C100 C93 -53.1(3) no . . .
C101 C83 C100 C99 128.6(3) no . . .
C83 C84 C85 C86 179.2(3) no . . .
C83 C84 C91 C90 179.5(2) no . . .
C83 C84 C91 C92 -1.9(4) no . . .
C85 C84 C91 C90 -2.1(5) no . . .
C85 C84 C91 C92 176.5(3) no . . .
C91 C84 C85 C86 1.1(5) no . . .
C84 C85 C86 C87 -177.6(3) no . . .
C84 C85 C86 C89 0.5(5) no . . .
C85 C86 C89 C88 179.5(3) no . . .
C85 C86 C89 C90 -1.1(5) no . . .
C87 C86 C89 C88 -2.4(5) no . . .
C87 C86 C89 C90 177.0(3) no . . .
C86 C89 C90 C91 0.1(5) no . . .
C88 C89 C90 C91 179.6(3) no . . .
C89 C90 C91 C84 1.5(5) no . . .
C89 C90 C91 C92 -176.9(3) no . . .
C84 C91 C92 C93 57.6(3) no . . .
C84 C91 C92 C108 -55.5(3) no . . .
C90 C91 C92 C93 -123.9(3) no . . .
C90 C91 C92 C108 123.0(3) no . . .
C91 C92 C93 C94 123.6(3) no . . .
C91 C92 C93 C100 -55.0(3) no . . .
C91 C92 C108 C101 57.8(3) no . . .
C91 C92 C108 C107 -118.4(3) no . . .
C93 C92 C108 C101 -54.2(3) no . . .
C93 C92 C108 C107 129.6(3) no . . .
C108 C92 C93 C94 -124.9(3) no . . .
C108 C92 C93 C100 56.5(3) no . . .
C92 C93 C94 C95 -177.6(3) no . . .
C92 C93 C100 C83 -1.9(4) no . . .
C92 C93 C100 C99 176.5(2) no . . .
C94 C93 C100 C83 179.4(3) no . . .
C94 C93 C100 C99 -2.1(4) no . . .
C100 C93 C94 C95 0.8(5) no . . .
C93 C94 C95 C96 -177.9(3) no . . .
C93 C94 C95 C98 1.5(5) no . . .
C94 C95 C98 C97 -179.5(3) no . . .
C94 C95 C98 C99 -2.5(5) no . . .
C96 C95 C98 C97 -0.0(5) no . . .
C96 C95 C98 C99 176.9(3) no . . .
C95 C98 C99 C100 1.2(5) no . . .
C97 C98 C99 C100 178.2(3) no . . .
C98 C99 C100 C83 179.3(3) no . . .
C98 C99 C100 C93 1.1(4) no . . .
C83 C101 C102 C103 -172.2(2) no . . .
C83 C101 C108 C92 -2.1(3) no . . .
C83 C101 C108 C107 174.4(2) no . . .
C102 C101 C108 C92 -178.3(2) no . . .
C102 C101 C108 C107 -1.8(4) no . . .
C108 C101 C102 C103 3.3(4) no . . .
C101 C102 C103 C104 175.2(3) no . . .
C101 C102 C103 C106 -2.3(5) no . . .
C102 C103 C106 C105 177.1(3) no . . .
C102 C103 C106 C107 -0.2(5) no . . .
C104 C103 C106 C105 -0.3(6) no . . .
C104 C103 C106 C107 -177.6(3) no . . .
C103 C106 C107 C108 1.7(6) no . . .
C105 C106 C107 C108 -175.7(4) no . . .
C106 C107 C108 C92 175.3(3) no . . .
C106 C107 C108 C101 -0.7(5) no . . .
N1 C109 C110 C111 0.0(6) no . . .
C109 C110 C111 C112 0.1(6) no . . .
C109 C110 C111 C114 179.5(3) no . . .
C110 C111 C112 C113 -0.6(5) no . . .
C110 C111 C114 O9 0.9(6) no . . .
C110 C111 C114 O10 -177.5(4) no . . .
C112 C111 C114 O9 -179.7(4) no . . .
C112 C111 C114 O10 1.9(6) no . . .
C114 C111 C112 C113 180.0(3) no . . .
C111 C112 C113 N1 1.1(6) no . . .
N2 C116 C117 C118 1.0(6) no . . .
C116 C117 C118 C119 -2.0(6) no . . .
C116 C117 C118 C121 178.4(3) no . . .
C117 C118 C119 C120 1.5(6) no . . .
C117 C118 C121 O11 0.7(7) no . . .
C117 C118 C121 O12 177.7(4) no . . .
C119 C118 C121 O11 -178.9(4) no . . .
C119 C118 C121 O12 -1.9(6) no . . .
C121 C118 C119 C120 -178.9(4) no . . .
C118 C119 C120 N2 0.1(6) no . . .
C124 C124 C125 C126 -171.3(6) no 3_667 . .
C125 C124 C124 C125 180.0(6) no . 3_667 3_667
C127 C128 C129 C130 179.6(10) no . . .
C128 C129 C130 C131 -169.9(11) no . . .
C129 C130 C131 C132 179.5(11) no . . .
C133 C134 C135 C136 -169.7(10) no . . .
C133 C134 C138 C137 161.1(16) no . . .
C135 C134 C138 C137 -54.0(13) no . . .
C138 C134 C135 C136 35.8(14) no . . .
C134 C135 C136 C137 -1.4(13) no . . .
C135 C136 C137 C138 -30.5(14) no . . .
C136 C137 C138 C134 44.6(11) no . . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.500 870 68 ' '
2 0.000 0.500 1.000 870 68 ' '
3 0.000 0.500 0.500 29 2 ' '
4 0.500 0.000 0.000 29 2 ' '
