# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_new2
_database_code_depnum_ccdc_archive 'CCDC 2195613'
loop_
_audit_author_name
_audit_author_address
'Cheng He'
;Dalian University of Technology
China
;
_audit_update_record             
;
2022-08-08 deposited with the CCDC.	2023-01-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C422 H299 B11.50 F47 N72 O27.75 Zn8'
_chemical_formula_weight         8362.59

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   27.5152(14)
_cell_length_b                   48.566(3)
_cell_length_c                   55.058(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.6490(10)
_cell_angle_gamma                90
_cell_volume                     73544(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9531
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      25.25

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.755
_exptl_crystal_F_000             17110
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    0.309
_shelx_estimated_absorpt_T_min   0.935
_shelx_estimated_absorpt_T_max   0.944
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            993572
_diffrn_reflns_av_unetI/netI     0.3078
_diffrn_reflns_av_R_equivalents  0.1120
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -57
_diffrn_reflns_limit_k_max       57
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_limit_l_max       65
_diffrn_reflns_theta_min         2.094
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             129439
_reflns_number_gt                21007
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         129439
_refine_ls_number_parameters     5398
_refine_ls_number_restraints     20438
_refine_ls_R_factor_all          0.3647
_refine_ls_R_factor_gt           0.1153
_refine_ls_wR_factor_ref         0.3155
_refine_ls_wR_factor_gt          0.2815
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.02139(3) 0.41031(2) 0.36993(2) 0.0970(3) Uani 1 1 d . . . . .
Zn2 Zn 0.35917(3) 0.81235(2) 0.53514(2) 0.1073(3) Uani 1 1 d . . . . .
Zn3 Zn -0.23134(3) 0.68169(2) 0.51051(2) 0.1201(3) Uani 1 1 d . . . . .
Zn4 Zn 0.53999(3) 0.68864(2) 0.13807(2) 0.1224(3) Uani 1 1 d . . . . .
Zn5 Zn -0.25720(3) 0.84770(2) 0.23467(2) 0.1266(3) Uani 1 1 d . . . . .
Zn6 Zn -0.02790(3) 0.55188(2) 0.10496(2) 0.1413(4) Uani 1 1 d . . . . .
Zn7 Zn 0.24027(4) 0.97699(2) 0.26969(2) 0.1694(4) Uani 1 1 d . . . . .
Zn8 Zn 0.57633(4) 0.56558(3) 0.42094(2) 0.2180(6) Uani 1 1 d . . . . .
C11H C -0.0345(3) 0.33811(14) 0.09923(15) 0.168(3) Uani 1 1 d . . . . .
C10H C -0.0007(3) 0.32667(15) 0.09441(14) 0.188(4) Uani 1 1 d D . . . .
C101 C 0.3670(2) 0.33672(16) 0.27896(13) 0.220(2) Uani 1 1 d D U . . .
H10F H 0.355811 0.334933 0.295227 0.264 Uiso 1 1 d R U . . .
N101 N 0.3290(4) 0.3300(2) 0.26095(18) 0.178(3) Uiso 0.5 1 d D U P A 1
C102 C 0.4007(5) 0.3109(2) 0.2798(2) 0.216(4) Uiso 0.5 1 d D U P A 1
H10A H 0.413692 0.304111 0.294806 0.259 Uiso 0.5 1 calc R U P B 1
C103 C 0.4116(5) 0.2977(3) 0.25757(19) 0.208(4) Uiso 0.5 1 d D U P A 1
H10B H 0.438225 0.285356 0.256809 0.249 Uiso 0.5 1 calc R U P C 1
C104 C 0.3820(4) 0.3034(3) 0.2363(2) 0.192(4) Uiso 0.5 1 d D U P A 1
H10C H 0.391641 0.298015 0.220526 0.230 Uiso 0.5 1 calc R U P D 1
C105 C 0.3382(4) 0.3171(3) 0.2399(2) 0.189(4) Uiso 0.5 1 d D U P A 1
N01A N 0.3317(4) 0.3421(2) 0.25995(17) 0.177(3) Uiso 0.5 1 d D U P A 2
C02A C 0.4184(4) 0.3313(3) 0.2757(2) 0.210(4) Uiso 0.5 1 d D U P A 2
H02A H 0.444236 0.335351 0.286972 0.252 Uiso 0.5 1 calc R U P E 2
C03A C 0.4224(5) 0.3187(3) 0.2525(2) 0.211(4) Uiso 0.5 1 d D U P A 2
H03A H 0.440322 0.302297 0.250100 0.253 Uiso 0.5 1 calc R U P F 2
C04A C 0.3973(4) 0.3328(3) 0.2334(2) 0.215(4) Uiso 0.5 1 d D U P A 2
H04A H 0.410597 0.341982 0.219836 0.259 Uiso 0.5 1 calc R U P G 2
C05A C 0.3469(4) 0.3298(3) 0.2393(2) 0.186(4) Uiso 0.5 1 d D U P A 2
N102 N 0.25990(16) 0.33297(10) 0.22904(9) 0.127(2) Uani 1 1 d . . . . .
C106 C 0.3043(3) 0.32440(18) 0.22236(12) 0.180(4) Uani 1 1 d . . . . .
C107 C 0.3088(2) 0.31852(18) 0.19896(15) 0.201(4) Uani 1 1 d . . . . .
H10D H 0.339724 0.311920 0.194398 0.241 Uiso 1 1 calc R U . . .
C108 C 0.2765(2) 0.32067(17) 0.18177(13) 0.184(4) Uani 1 1 d . . . . .
H10E H 0.285305 0.319406 0.165248 0.221 Uiso 1 1 calc R U . . .
C109 C 0.2272(2) 0.32497(13) 0.18793(11) 0.126(3) Uani 1 1 d . . . . .
C110 C 0.2223(2) 0.33291(12) 0.21212(11) 0.124(3) Uani 1 1 d . . . . .
H11A H 0.191069 0.338583 0.217150 0.148 Uiso 1 1 calc R U . . .
O101 O 0.2190(2) 0.32748(19) 0.13532(12) 0.190(4) Uani 0.6667 1 d . . P . .
O01A O 0.2290(6) 0.3220(3) 0.1390(3) 0.177(7) Uiso 0.3333 1 d . . P . .
N103 N 0.18565(17) 0.32587(11) 0.17328(8) 0.133(2) Uani 1 1 d . . . . .
H10G H 0.157924 0.325626 0.180853 0.159 Uiso 1 1 calc R U . . .
C111 C 0.1821(3) 0.32712(15) 0.14803(13) 0.160(3) Uani 1 1 d . . . . .
C112 C 0.1280(3) 0.32516(14) 0.13871(10) 0.152(3) Uani 1 1 d . . . . .
C113 C 0.1308(3) 0.33623(13) 0.11394(14) 0.167(3) Uani 1 1 d . . . . .
H11B H 0.160061 0.342440 0.106991 0.200 Uiso 1 1 calc R U . . .
C114 C 0.0855(3) 0.33656(15) 0.10177(14) 0.176(3) Uani 1 1 d . U . . .
H11C H 0.082834 0.343844 0.085778 0.212 Uiso 1 1 calc R U . . .
C115 C 0.0445(3) 0.32642(17) 0.11273(15) 0.190(4) Uani 1 1 d D U . . .
C116 C 0.0441(3) 0.31779(15) 0.13642(13) 0.172(3) Uani 1 1 d . . . . .
H11E H 0.016120 0.311343 0.144370 0.206 Uiso 1 1 calc R U . . .
C117 C 0.0870(2) 0.31959(15) 0.14651(13) 0.178(3) Uani 1 1 d . . . . .
H11F H 0.087437 0.315885 0.163453 0.214 Uiso 1 1 calc R U . . .
N104 N 0.21459(18) 0.17155(11) -0.04823(10) 0.136(2) Uani 1 1 d . . . . .
C118 C 0.2423(2) 0.15458(14) -0.06043(10) 0.137(3) Uani 1 1 d . . . . .
H11D H 0.272335 0.148286 -0.053528 0.165 Uiso 1 1 calc R U . . .
C119 C 0.2271(2) 0.14605(15) -0.08342(12) 0.155(3) Uani 1 1 d . . . . .
H11G H 0.245998 0.133450 -0.092343 0.186 Uiso 1 1 calc R U . . .
C120 C 0.1846(3) 0.15600(16) -0.09295(11) 0.169(3) Uani 1 1 d . . . . .
H12A H 0.174669 0.151521 -0.109130 0.202 Uiso 1 1 calc R U . . .
C121 C 0.1559(3) 0.17275(15) -0.07890(12) 0.160(3) Uani 1 1 d . . . . .
H12B H 0.124578 0.178680 -0.084398 0.192 Uiso 1 1 calc R U . . .
C122 C 0.1757(2) 0.18050(13) -0.05603(10) 0.112(2) Uani 1 1 d . U . . .
N105 N 0.16767(17) 0.20116(10) -0.01866(7) 0.119(2) Uani 1 1 d D . . . .
C123 C 0.1494(2) 0.19751(13) -0.04135(11) 0.123(3) Uani 1 1 d D . . . .
C127 C 0.14351(17) 0.21852(11) -0.00412(9) 0.104(2) Uani 1 1 d D . . . .
H12C H 0.156080 0.221085 0.011974 0.125 Uiso 1 1 calc R U . . .
C126 C 0.1022(2) 0.23272(12) -0.01083(9) 0.118(2) Uani 1 1 d D U . . .
C125 C 0.0820(2) 0.22939(11) -0.03408(9) 0.118(2) Uani 1 1 d D . . . .
H12D H 0.053112 0.238532 -0.039496 0.142 Uiso 1 1 calc R U . . .
C124 C 0.1071(2) 0.21192(12) -0.04837(10) 0.155(3) Uani 1 1 d D . . . .
H12E H 0.094865 0.209222 -0.064509 0.186 Uiso 1 1 calc R U . . .
O102 O 0.02259(18) 0.27361(11) -0.01325(8) 0.188(2) Uani 1 1 d . . . . .
N106 N 0.08173(17) 0.24891(10) 0.00654(8) 0.133(2) Uani 1 1 d . . . . .
H10H H 0.094716 0.246256 0.021150 0.159 Uiso 1 1 calc R U . . .
C128 C 0.0458(3) 0.26815(15) 0.00621(12) 0.144(3) Uani 1 1 d . . . . .
C129 C 0.0301(2) 0.28353(14) 0.02925(11) 0.133(3) Uani 1 1 d . . . . .
C130 C 0.0349(2) 0.27086(14) 0.05165(11) 0.129(3) Uani 1 1 d . . . . .
H13A H 0.047754 0.252715 0.052181 0.154 Uiso 1 1 calc R U . . .
C131 C 0.0226(2) 0.28241(14) 0.07257(13) 0.159(3) Uani 1 1 d . . . . .
H13B H 0.023859 0.272596 0.087508 0.191 Uiso 1 1 calc R U . . .
C132 C 0.0084(3) 0.30880(15) 0.07114(11) 0.164(3) Uani 1 1 d D . . . .
C133 C -0.0010(2) 0.32263(14) 0.04911(12) 0.157(3) Uani 1 1 d . . . . .
H13D H -0.014790 0.340545 0.048567 0.188 Uiso 1 1 calc R U . . .
C134 C 0.0113(2) 0.30850(14) 0.02803(14) 0.158(3) Uani 1 1 d . . . . .
H13E H 0.005975 0.316980 0.012628 0.190 Uiso 1 1 calc R U . . .
N107 N -0.42154(17) 0.33631(10) -0.03166(8) 0.1154(19) Uani 1 1 d . . . . .
C135 C -0.4648(2) 0.33625(12) -0.04548(10) 0.130(3) Uani 1 1 d . . . . .
H13C H -0.466853 0.324070 -0.058975 0.156 Uiso 1 1 calc R U . . .
C136 C -0.5050(2) 0.35235(13) -0.04123(12) 0.136(3) Uani 1 1 d . U . . .
H13F H -0.534325 0.349494 -0.050404 0.163 Uiso 1 1 calc R U . . .
C137 C -0.5026(3) 0.37234(16) -0.02391(13) 0.179(4) Uani 1 1 d . . . . .
H13G H -0.528391 0.384921 -0.021277 0.215 Uiso 1 1 calc R U . . .
C138 C -0.4597(3) 0.37266(14) -0.01059(13) 0.164(3) Uani 1 1 d . . . . .
H13H H -0.456026 0.386192 0.001794 0.197 Uiso 1 1 calc R U . . .
C139 C -0.4213(2) 0.35476(13) -0.01385(11) 0.117(2) Uani 1 1 d . U . . .
N108 N -0.34507(15) 0.33721(10) -0.00363(8) 0.1071(18) Uani 1 1 d . U . . .
C140 C -0.3793(2) 0.35527(12) 0.00042(11) 0.110(2) Uani 1 1 d . U . . .
C141 C -0.3705(2) 0.37342(15) 0.01849(12) 0.157(3) Uani 1 1 d . . . . .
H14A H -0.393486 0.387634 0.021205 0.188 Uiso 1 1 calc R U . . .
C142 C -0.3290(2) 0.37196(13) 0.03321(11) 0.150(3) Uani 1 1 d . . . . .
H14B H -0.325730 0.384445 0.046439 0.180 Uiso 1 1 calc R U . . .
C143 C -0.2896(2) 0.35205(13) 0.02944(10) 0.128(3) Uani 1 1 d . U . . .
C144 C -0.30451(18) 0.33458(11) 0.00946(9) 0.097(2) Uani 1 1 d . . . . .
H14C H -0.283342 0.319950 0.005371 0.116 Uiso 1 1 calc R U . . .
N109 N -0.24289(18) 0.34821(13) 0.04318(8) 0.169(2) Uani 1 1 d . . . . .
H10J H -0.227524 0.362451 0.050518 0.203 Uiso 0.6667 1 d R U P H 1
H10I H -0.231854 0.330761 0.043748 0.203 Uiso 0.3333 1 d R U P I 2
C151 C -0.1611(2) 0.35413(12) 0.06306(11) 0.1495(19) Uani 1 1 d D U . . .
H15B H -0.182341 0.368214 0.056660 0.179 Uiso 0.5 1 d R U P J 1
C145 C -0.2225(4) 0.3161(3) 0.0428(2) 0.132(4) Uiso 0.5 1 d D U P K 1
O103 O -0.2339(3) 0.30067(18) 0.03542(15) 0.148(3) Uani 0.5 1 d . U P K 1
C146 C -0.1807(3) 0.32884(19) 0.0592(2) 0.139(3) Uiso 0.5 1 d D U P K 1
C147 C -0.1500(3) 0.3068(2) 0.0674(2) 0.140(3) Uiso 0.5 1 d D U P K 1
H14D H -0.160662 0.288547 0.064203 0.168 Uiso 0.5 1 calc R U P L 1
C148 C -0.1047(4) 0.3102(2) 0.0801(2) 0.142(3) Uiso 0.5 1 d D U P K 1
H14E H -0.087668 0.294465 0.086058 0.170 Uiso 0.5 1 calc R U P M 1
C149 C -0.0850(4) 0.3364(2) 0.0838(2) 0.142(3) Uiso 0.5 1 d D U P K 1
C150 C -0.1129(3) 0.3582(2) 0.0771(2) 0.142(3) Uiso 0.5 1 d D U P K 1
H15A H -0.102338 0.376245 0.081178 0.170 Uiso 0.5 1 calc R U P N 1
C45A C -0.2173(4) 0.3703(3) 0.0549(2) 0.166(4) Uiso 0.5 1 d D U P K 2
O3AA O -0.2434(5) 0.4009(2) 0.0662(3) 0.126(5) Uiso 0.25 1 d D U P K 2
O03A O -0.2259(5) 0.4077(2) 0.0537(3) 0.120(5) Uiso 0.25 1 d D U P K 2
C47A C -0.1596(4) 0.32579(19) 0.0649(2) 0.138(3) Uiso 0.5 1 d D U P K 2
H47A H -0.185144 0.313512 0.060294 0.166 Uiso 0.5 1 calc R U P O 2
C48A C -0.1129(4) 0.3180(2) 0.0750(2) 0.157(3) Uiso 0.5 1 d D U P K 2
H48A H -0.105037 0.298995 0.075203 0.188 Uiso 0.5 1 calc R U P P 2
C49A C -0.0772(4) 0.3369(2) 0.0848(2) 0.142(3) Uiso 0.5 1 d D U P K 2
C50A C -0.0892(4) 0.3635(2) 0.0784(2) 0.132(3) Uiso 0.5 1 d D U P K 2
H50A H -0.065134 0.376815 0.082551 0.158 Uiso 0.5 1 calc R U P Q 2
C51A C -0.1307(4) 0.3740(2) 0.0670(2) 0.163(4) Uiso 0.5 1 d D U P K 2
H51A H -0.135859 0.392715 0.062695 0.195 Uiso 0.5 1 calc R U P R 2
N110 N -0.20517(13) 0.49443(6) 0.26104(6) 0.1738(18) Uani 1 1 d DG U . . .
C152 C -0.22601(14) 0.51167(7) 0.27799(7) 0.166(2) Uani 1 1 d G U . . .
H15D H -0.258627 0.517729 0.275602 0.199 Uiso 1 1 calc R U . . .
C153 C -0.19913(19) 0.52005(8) 0.29844(6) 0.179(2) Uani 1 1 d G U . . .
H15E H -0.213374 0.531838 0.310024 0.215 Uiso 1 1 calc R U . . .
C154 C -0.15140(19) 0.51119(10) 0.30193(7) 0.178(2) Uani 1 1 d G U . . .
H15F H -0.133033 0.516917 0.315907 0.214 Uiso 1 1 calc R U . . .
C155 C -0.13056(14) 0.49395(10) 0.28498(8) 0.173(2) Uani 1 1 d DG U . . .
H15G H -0.097942 0.487891 0.287372 0.208 Uiso 1 1 calc R U . . .
C156 C -0.15744(13) 0.48557(7) 0.26454(7) 0.169(2) Uani 1 1 d DG U . . .
N111 N -0.17123(12) 0.45807(5) 0.23044(6) 0.1441(17) Uani 1 1 d G U . . .
C157 C -0.13686(14) 0.46883(7) 0.24683(6) 0.153(2) Uani 1 1 d DG U . . .
C158 C -0.08785(13) 0.46289(9) 0.24427(8) 0.163(2) Uani 1 1 d G U . . .
H15H H -0.064367 0.470243 0.255471 0.196 Uiso 1 1 calc R U . . .
C159 C -0.07321(12) 0.44619(9) 0.22533(9) 0.157(2) Uani 1 1 d G U . . .
H15I H -0.039721 0.442134 0.223577 0.189 Uiso 1 1 calc R U . . .
C160 C -0.10758(16) 0.43543(9) 0.20894(8) 0.165(2) Uani 1 1 d G U . . .
C161 C -0.15658(15) 0.44137(7) 0.21150(6) 0.156(2) Uani 1 1 d G U . . .
H16B H -0.180072 0.434014 0.200299 0.188 Uiso 1 1 calc R U . . .
N112 N -0.09227(18) 0.41684(10) 0.19024(9) 0.148(2) Uani 1 1 d D . . . .
H11I H -0.112193 0.402776 0.186157 0.178 Uiso 0.6667 1 d R U P S 1
H11H H -0.061543 0.416256 0.185077 0.178 Uiso 0.3333 1 d R U P T 2
C163 C -0.0447(2) 0.39412(11) 0.15542(10) 0.1292(18) Uani 1 1 d D U . . .
H16E H -0.030634 0.410156 0.162969 0.155 Uiso 0.5 1 d R U P U 2
C162 C -0.0502(3) 0.41717(18) 0.17668(15) 0.134(3) Uani 0.6667 1 d D U P V 1
O104 O -0.0147(2) 0.43367(14) 0.18106(12) 0.099(2) Uiso 0.5 1 d D U P V 1
O1L O -0.1874(7) 0.3717(4) 0.1947(3) 0.174(7) Uiso 0.25 1 d . U P W 1
C164 C -0.0735(4) 0.3712(2) 0.15495(18) 0.124(3) Uiso 0.5 1 d D U P K 1
H16C H -0.090784 0.365416 0.168743 0.148 Uiso 0.5 1 calc R U P X 1
C165 C -0.0759(4) 0.3569(2) 0.13339(17) 0.129(3) Uiso 0.5 1 d D U P K 1
H16D H -0.104048 0.346532 0.128902 0.155 Uiso 0.5 1 calc R U P Y 1
C166 C -0.0356(4) 0.3579(2) 0.1180(2) 0.130(3) Uiso 0.5 1 d D U P K 1
C167 C -0.0016(4) 0.38014(19) 0.12138(18) 0.119(3) Uiso 0.5 1 d D U P K 1
H16F H 0.024341 0.382187 0.110488 0.142 Uiso 0.5 1 calc R U P Z 1
C168 C -0.0062(3) 0.3986(2) 0.14032(17) 0.123(3) Uiso 0.5 1 d D U P K 1
H16G H 0.015726 0.413499 0.142806 0.147 Uiso 0.5 1 calc R U P A 1
C62A C -0.1322(4) 0.4008(3) 0.1795(3) 0.156(4) Uiso 0.3333 1 d D U P K 2
O04A O -0.1808(3) 0.39405(18) 0.17734(15) 0.146(3) Uiso 0.5 1 d D U P K 2
C63A C -0.0896(3) 0.3843(2) 0.16152(19) 0.137(3) Uiso 0.5 1 d D U P K 2
C64A C -0.1057(4) 0.3595(2) 0.1517(2) 0.157(3) Uiso 0.5 1 d D U P K 2
H64C H -0.137287 0.353679 0.156004 0.188 Uiso 0.5 1 calc R U P B 2
C65A C -0.0818(3) 0.3433(2) 0.13718(18) 0.126(4) Uiso 0.5 1 d D U P K 2
H65B H -0.091327 0.324728 0.134206 0.152 Uiso 0.5 1 calc R U P C 2
C66A C -0.0409(4) 0.3552(2) 0.1262(2) 0.128(3) Uiso 0.5 1 d D U P K 2
C67A C -0.0184(4) 0.3799(2) 0.13600(19) 0.141(3) Uiso 0.5 1 d D U P K 2
H67C H 0.011668 0.386644 0.130287 0.169 Uiso 0.5 1 calc R U P D 2
C20G C -0.1149(2) 0.26383(14) 0.31810(11) 0.131(3) Uani 1 1 d . U . . .
C21G C -0.1576(2) 0.26242(16) 0.32052(13) 0.157(3) Uani 1 1 d . U . . .
N201 N 0.26271(17) 0.39063(10) 0.25641(9) 0.1446(14) Uani 1 1 d D U . . .
C205 C 0.2190(2) 0.40365(12) 0.25154(12) 0.1431(15) Uani 1 1 d D U . . .
C201 C 0.3053(3) 0.40546(17) 0.24665(16) 0.1448(19) Uani 0.6667 1 d D U P E 1
H20A H 0.336349 0.397205 0.249008 0.174 Uiso 0.6667 1 calc R U P F 1
C202 C 0.3031(3) 0.43047(17) 0.23435(16) 0.1436(19) Uani 0.6667 1 d D U P E 1
H20B H 0.331391 0.439490 0.228919 0.172 Uiso 0.6667 1 calc R U P G 1
C203 C 0.2590(3) 0.44095(18) 0.23069(17) 0.1455(18) Uani 0.6667 1 d D U P E 1
H20C H 0.256677 0.458025 0.222319 0.175 Uiso 0.6667 1 calc R U P H 1
C204 C 0.2140(3) 0.42863(17) 0.23833(16) 0.1387(17) Uani 0.6667 1 d D U P E 1
H20D H 0.183250 0.436739 0.234739 0.166 Uiso 0.6667 1 calc R U P I 1
C01B C 0.3111(4) 0.4013(2) 0.2558(3) 0.143(2) Uiso 0.3333 1 d D U P E 2
H01A H 0.340074 0.390714 0.257460 0.171 Uiso 0.3333 1 calc R U P J 2
C02B C 0.3090(4) 0.4299(2) 0.2524(3) 0.140(2) Uiso 0.3333 1 d D U P E 2
H02B H 0.339353 0.438721 0.249994 0.168 Uiso 0.3333 1 calc R U P K 2
C03B C 0.2697(4) 0.4468(3) 0.2519(3) 0.142(2) Uiso 0.3333 1 d D U P E 2
H03B H 0.270997 0.465945 0.248629 0.170 Uiso 0.3333 1 calc R U P L 2
C04B C 0.2260(4) 0.4320(2) 0.2570(3) 0.142(2) Uiso 0.3333 1 d D U P E 2
H04B H 0.200416 0.441725 0.264476 0.171 Uiso 0.3333 1 calc R U P M 2
N202 N 0.18464(17) 0.36115(10) 0.26237(9) 0.1292(13) Uani 1 1 d . U . . .
C206 C 0.1766(2) 0.38682(14) 0.25807(11) 0.1338(14) Uani 1 1 d . U . . .
C207 C 0.1355(2) 0.40064(14) 0.25984(11) 0.1476(14) Uani 1 1 d . U . . .
H20E H 0.133888 0.420050 0.257857 0.177 Uiso 1 1 calc R U . . .
C208 C 0.0923(2) 0.38391(13) 0.26512(11) 0.1424(14) Uani 1 1 d . U . . .
H20F H 0.060828 0.391862 0.265724 0.171 Uiso 1 1 calc R U . . .
C209 C 0.0997(2) 0.35646(13) 0.26909(11) 0.1325(14) Uani 1 1 d . U . . .
C210 C 0.1449(2) 0.34688(13) 0.26840(10) 0.1331(14) Uani 1 1 d . U . . .
H21A H 0.149585 0.328070 0.272589 0.160 Uiso 1 1 calc R U . . .
N203 N 0.05958(15) 0.33803(10) 0.27565(8) 0.1296(13) Uani 1 1 d D U . . .
H20G H 0.064854 0.320210 0.274510 0.156 Uiso 1 1 calc R U . . .
C211 C 0.0173(2) 0.34561(13) 0.28293(11) 0.1426(15) Uani 1 1 d D U . . .
O201 O 0.0028(2) 0.37181(12) 0.28845(11) 0.1421(15) Uani 0.6667 1 d D U P . .
O01B O -0.0153(4) 0.3667(2) 0.2675(2) 0.1432(18) Uiso 0.3333 1 d D U P . .
C212 C -0.0164(2) 0.32189(13) 0.29275(11) 0.1332(16) Uani 1 1 d D U . . .
C213 C -0.0106(2) 0.29680(13) 0.28238(11) 0.1445(17) Uani 1 1 d . U . . .
H21B H 0.013479 0.293167 0.270784 0.173 Uiso 1 1 calc R U . . .
C214 C -0.0490(2) 0.32570(14) 0.31045(11) 0.1409(17) Uani 1 1 d . U . . .
H21C H -0.049035 0.343450 0.317709 0.169 Uiso 1 1 calc R U . . .
C215 C -0.0809(2) 0.30795(13) 0.31896(11) 0.1408(17) Uani 1 1 d . U . . .
H21D H -0.103792 0.312195 0.331022 0.169 Uiso 1 1 calc R U . . .
C216 C -0.0449(2) 0.27557(14) 0.29065(11) 0.1377(17) Uani 1 1 d . U . . .
H21E H -0.044914 0.257509 0.284025 0.165 Uiso 1 1 calc R U . . .
C217 C -0.0768(2) 0.28291(13) 0.30824(11) 0.1301(17) Uani 1 1 d . U . . .
N204 N 0.09914(18) 0.04843(11) 0.40081(8) 0.138(2) Uani 1 1 d D . . . .
C218 C 0.1257(2) 0.02578(14) 0.40657(13) 0.166(3) Uani 1 1 d D . . . .
H21F H 0.106157 0.009735 0.407885 0.200 Uiso 1 1 calc R U . . .
C219 C 0.1723(2) 0.02073(13) 0.41081(13) 0.170(3) Uani 1 1 d D . . . .
H21G H 0.185899 0.003845 0.416466 0.204 Uiso 1 1 calc R U . . .
C220 C 0.1973(3) 0.04385(14) 0.40566(13) 0.185(4) Uani 1 1 d D . . . .
H22A H 0.231711 0.042592 0.406724 0.222 Uiso 1 1 calc R U . . .
C221 C 0.1781(2) 0.06908(13) 0.39902(13) 0.164(3) Uani 1 1 d D . . . .
H22B H 0.197568 0.085006 0.396788 0.196 Uiso 1 1 calc R U . . .
C222 C 0.13056(19) 0.06908(17) 0.39607(13) 0.175(4) Uani 1 1 d D . . . .
N205 N 0.05652(15) 0.09142(11) 0.38508(8) 0.114(2) Uani 1 1 d . . . . .
C223 C 0.0990(2) 0.09242(14) 0.38968(11) 0.119(3) Uani 1 1 d . U . . .
C224 C 0.1272(2) 0.11543(16) 0.38751(12) 0.163(3) Uani 1 1 d . . . . .
H22C H 0.161219 0.115347 0.391011 0.195 Uiso 1 1 calc R U . . .
C225 C 0.0537(2) 0.13937(13) 0.37388(11) 0.113(2) Uani 1 1 d . U . . .
C226 C 0.1008(2) 0.14054(16) 0.37927(12) 0.165(3) Uani 1 1 d . . . . .
H22D H 0.117736 0.157480 0.377872 0.198 Uiso 1 1 calc R U . . .
C227 C 0.03130(18) 0.11276(12) 0.37782(9) 0.105(2) Uani 1 1 d . . . . .
H22E H -0.002756 0.110820 0.375017 0.126 Uiso 1 1 calc R U . . .
N206 N 0.02537(15) 0.16145(12) 0.36478(8) 0.136(2) Uani 1 1 d . . . . .
H20H H 0.035326 0.177947 0.369279 0.163 Uiso 1 1 calc R U . . .
C228 C -0.0114(3) 0.16098(16) 0.35140(13) 0.167(3) Uani 1 1 d . U . . .
O202 O -0.03234(18) 0.13831(12) 0.34261(8) 0.192(2) Uani 1 1 d . . . . .
C229 C -0.0394(2) 0.18570(12) 0.34037(10) 0.106(2) Uani 1 1 d . . . . .
C230 C -0.0228(2) 0.21126(14) 0.35108(10) 0.135(3) Uani 1 1 d . . . . .
H23A H 0.003631 0.211441 0.362539 0.161 Uiso 1 1 calc R U . . .
C231 C -0.0483(2) 0.23784(12) 0.34382(10) 0.116(2) Uani 1 1 d . . . . .
H23B H -0.038005 0.255023 0.350434 0.139 Uiso 1 1 calc R U . . .
C232 C -0.0876(2) 0.23620(14) 0.32693(11) 0.143(3) Uani 1 1 d . . . . .
C233 C -0.0967(2) 0.20763(14) 0.31642(11) 0.141(3) Uani 1 1 d . . . . .
H23D H -0.119589 0.205291 0.303336 0.169 Uiso 1 1 calc R U . . .
C234 C -0.0737(2) 0.18665(15) 0.32509(12) 0.156(3) Uani 1 1 d . . . . .
H23E H -0.084325 0.169319 0.318975 0.187 Uiso 1 1 calc R U . . .
N207 N -0.54912(16) 0.15135(12) 0.38168(10) 0.147(2) Uani 1 1 d . . . . .
N208 N -0.46551(14) 0.17377(9) 0.36770(7) 0.0939(17) Uani 1 1 d . . . . .
N209 N -0.33949(14) 0.18926(8) 0.35403(7) 0.0936(16) Uani 1 1 d . . . . .
H20I H -0.345389 0.199199 0.340914 0.112 Uiso 1 1 calc R U . . .
C235 C -0.5904(2) 0.14034(15) 0.38859(10) 0.141(3) Uani 1 1 d . . . . .
H23C H -0.620727 0.148854 0.384722 0.169 Uiso 1 1 calc R U . . .
C236 C -0.5881(3) 0.11610(17) 0.40160(12) 0.189(4) Uani 1 1 d . . . . .
H23F H -0.618896 0.109330 0.406126 0.226 Uiso 1 1 calc R U . . .
C237 C -0.5547(2) 0.10195(16) 0.40830(13) 0.175(3) Uani 1 1 d . . . . .
H23G H -0.558173 0.085453 0.417359 0.209 Uiso 1 1 calc R U . . .
C238 C -0.5091(3) 0.11281(15) 0.40105(11) 0.158(3) Uani 1 1 d . . . . .
H23H H -0.479523 0.103706 0.405312 0.190 Uiso 1 1 calc R U . . .
C239 C -0.5092(2) 0.13707(13) 0.38759(10) 0.111(2) Uani 1 1 d . U . . .
C240 C -0.4622(2) 0.14842(12) 0.37922(10) 0.106(2) Uani 1 1 d . . . . .
C241 C -0.4150(2) 0.13637(14) 0.38335(10) 0.125(3) Uani 1 1 d . . . . .
H24A H -0.411504 0.119529 0.392005 0.150 Uiso 1 1 calc R U . . .
C242 C -0.37373(19) 0.14998(12) 0.37433(10) 0.104(2) Uani 1 1 d . . . . .
H24B H -0.342495 0.141889 0.376638 0.124 Uiso 1 1 calc R U . . .
C243 C -0.37817(17) 0.17518(11) 0.36204(9) 0.0821(19) Uani 1 1 d . U . . .
C244 C -0.42436(17) 0.18576(11) 0.35915(8) 0.0837(19) Uani 1 1 d . U . . .
H24C H -0.427955 0.202645 0.350575 0.100 Uiso 1 1 calc R U . . .
C245 C -0.29467(18) 0.19058(12) 0.36256(10) 0.095(2) Uani 1 1 d . U . . .
O203 O -0.28415(14) 0.17624(9) 0.38087(7) 0.1472(18) Uani 1 1 d . . . . .
C246 C -0.25867(18) 0.20748(12) 0.35066(10) 0.100(2) Uani 1 1 d . . . . .
C247 C -0.26267(18) 0.21862(12) 0.32709(9) 0.098(2) Uani 1 1 d . . . . .
H24D H -0.290197 0.214032 0.317089 0.118 Uiso 1 1 calc R U . . .
C248 C -0.23040(19) 0.23472(11) 0.31873(11) 0.114(2) Uani 1 1 d . U . . .
H24E H -0.235782 0.241841 0.302811 0.137 Uiso 1 1 calc R U . . .
C249 C -0.1906(2) 0.24208(12) 0.33046(11) 0.109(2) Uani 1 1 d . U . . .
C250 C -0.1830(2) 0.23167(13) 0.35399(11) 0.131(3) Uani 1 1 d . . . . .
H25A H -0.154779 0.236776 0.363256 0.157 Uiso 1 1 calc R U . . .
C251 C -0.21657(19) 0.21402(11) 0.36369(10) 0.103(2) Uani 1 1 d . . . . .
H25B H -0.210728 0.206333 0.379372 0.124 Uiso 1 1 calc R U . . .
N210 N -0.3078(3) 0.49326(16) 0.23718(14) 0.252(2) Uani 1 1 d . U . . .
C252 C -0.3256(3) 0.5183(2) 0.22778(18) 0.272(3) Uani 1 1 d . U . . .
H25C H -0.301846 0.528353 0.219236 0.326 Uiso 1 1 calc R U . . .
C253 C -0.3698(4) 0.5316(2) 0.22821(19) 0.286(3) Uani 1 1 d . U . . .
H25D H -0.379596 0.548040 0.220089 0.344 Uiso 1 1 calc R U . . .
C254 C -0.3974(4) 0.5144(2) 0.24405(19) 0.279(3) Uani 1 1 d . U . . .
H25E H -0.425868 0.522634 0.250133 0.335 Uiso 1 1 calc R U . . .
C255 C -0.3881(3) 0.48612(19) 0.25222(17) 0.258(3) Uani 1 1 d . U . . .
H25F H -0.413178 0.474479 0.257849 0.310 Uiso 1 1 calc R U . . .
C256 C -0.3377(3) 0.4772(2) 0.25105(18) 0.239(3) Uani 1 1 d . U . . .
N211 N -0.2730(2) 0.44955(14) 0.25180(12) 0.193(2) Uani 1 1 d . U . . .
C257 C -0.3173(3) 0.45062(18) 0.25948(15) 0.201(2) Uani 1 1 d . U . . .
C258 C -0.3427(3) 0.43578(17) 0.27356(14) 0.200(3) Uani 1 1 d . U . . .
H25G H -0.372051 0.443128 0.279486 0.240 Uiso 1 1 calc R U . . .
C259 C -0.3286(3) 0.40865(17) 0.28068(14) 0.194(3) Uani 1 1 d . U . . .
H25H H -0.347781 0.395083 0.288308 0.233 Uiso 1 1 calc R U . . .
C260 C -0.2802(3) 0.40648(17) 0.27391(14) 0.181(2) Uani 1 1 d . U . . .
C261 C -0.2543(3) 0.42501(15) 0.25979(13) 0.176(2) Uani 1 1 d . U . . .
H26A H -0.222179 0.420306 0.255530 0.211 Uiso 1 1 calc R U . . .
C262 C -0.2624(3) 0.36310(17) 0.29822(14) 0.172(3) Uani 1 1 d . U . . .
O204 O -0.2996(2) 0.36653(11) 0.31199(10) 0.224(3) Uani 1 1 d . U . . .
N212 N -0.2545(2) 0.38058(12) 0.28143(10) 0.174(2) Uani 1 1 d . U . . .
H21H H -0.229272 0.376614 0.272639 0.209 Uiso 1 1 calc R U . . .
C263 C -0.2345(2) 0.33615(14) 0.30390(12) 0.139(2) Uani 1 1 d . U . . .
C264 C -0.2089(2) 0.32765(14) 0.28427(12) 0.155(2) Uani 1 1 d . U . . .
H26B H -0.208678 0.336997 0.269118 0.185 Uiso 1 1 calc R U . . .
C265 C -0.1807(2) 0.30105(14) 0.28998(13) 0.159(2) Uani 1 1 d . U . . .
H26C H -0.163455 0.292152 0.277518 0.191 Uiso 1 1 calc R U . . .
C266 C -0.1803(3) 0.29006(15) 0.31277(13) 0.149(2) Uani 1 1 d . U . . .
C267 C -0.2082(2) 0.30132(14) 0.32962(12) 0.149(2) Uani 1 1 d . U . . .
H26E H -0.212073 0.291990 0.344609 0.179 Uiso 1 1 calc R U . . .
C268 C -0.2311(2) 0.32551(14) 0.32586(13) 0.155(2) Uani 1 1 d . U . . .
H26F H -0.244833 0.334957 0.339122 0.186 Uiso 1 1 calc R U . . .
C30G C -0.2896(3) 0.05801(17) 0.24949(13) 0.202(4) Uani 1 1 d D . . . .
C31G C -0.2807(3) 0.04662(16) 0.23297(13) 0.190(4) Uani 1 1 d D U . . .
N301 N -0.61447(18) 0.19269(12) 0.35182(10) 0.1556(16) Uani 1 1 d . U . . .
C301 C -0.6460(2) 0.20685(15) 0.36357(12) 0.1591(18) Uani 1 1 d . U . . .
H30A H -0.635247 0.215636 0.378181 0.191 Uiso 1 1 calc R U . . .
C302 C -0.6943(2) 0.21009(15) 0.35627(12) 0.1603(19) Uani 1 1 d . U . . .
H30B H -0.715649 0.221576 0.365011 0.192 Uiso 1 1 calc R U . . .
C303 C -0.7105(2) 0.19568(15) 0.33546(12) 0.1665(19) Uani 1 1 d . U . . .
H30C H -0.743576 0.195962 0.330010 0.200 Uiso 1 1 calc R U . . .
C304 C -0.6760(2) 0.18126(15) 0.32352(12) 0.1637(18) Uani 1 1 d . U . . .
H30D H -0.685190 0.170952 0.309466 0.196 Uiso 1 1 calc R U . . .
C305 C -0.6287(2) 0.18134(16) 0.33133(13) 0.1614(18) Uani 1 1 d . U . . .
N302 N -0.54844(18) 0.16828(12) 0.32742(10) 0.1556(15) Uani 1 1 d . U . . .
C306 C -0.5907(2) 0.16603(16) 0.31841(13) 0.1653(17) Uani 1 1 d . U . . .
C307 C -0.6030(3) 0.14864(15) 0.29944(13) 0.1771(17) Uani 1 1 d . U . . .
H30E H -0.636018 0.146190 0.294425 0.213 Uiso 1 1 calc R U . . .
C308 C -0.5663(2) 0.13477(16) 0.28777(13) 0.1817(17) Uani 1 1 d . U . . .
H30F H -0.574200 0.123709 0.273980 0.218 Uiso 1 1 calc R U . . .
C309 C -0.5189(3) 0.13678(17) 0.29583(13) 0.1722(16) Uani 1 1 d . U . . .
C310 C -0.5139(2) 0.15485(15) 0.31590(12) 0.1687(16) Uani 1 1 d . U . . .
H31A H -0.481655 0.157757 0.321940 0.202 Uiso 1 1 calc R U . . .
N303 N -0.47679(19) 0.12643(12) 0.28597(9) 0.1681(15) Uani 1 1 d . U . . .
H30G H -0.448742 0.134199 0.289861 0.202 Uiso 1 1 calc R U . . .
O301 O -0.5214(2) 0.08816(14) 0.26509(12) 0.263(2) Uani 1 1 d . U . . .
C311 C -0.4776(2) 0.10499(17) 0.27072(14) 0.1897(17) Uani 1 1 d D U . . .
C312 C -0.42292(19) 0.09759(15) 0.26599(13) 0.1799(18) Uani 1 1 d D U . . .
C313 C -0.3792(2) 0.10928(15) 0.26816(13) 0.1854(19) Uani 1 1 d D U . . .
H31B H -0.379230 0.126378 0.276547 0.223 Uiso 1 1 calc R U . . .
C314 C -0.3343(2) 0.10151(14) 0.26070(12) 0.1821(19) Uani 1 1 d D U . . .
H31C H -0.306549 0.113084 0.260361 0.219 Uiso 1 1 calc R U . . .
C315 C -0.3356(2) 0.07567(15) 0.25410(13) 0.179(2) Uani 1 1 d D U . . .
C316 C -0.3780(2) 0.05905(15) 0.25303(12) 0.1864(19) Uani 1 1 d D U . . .
H31E H -0.376509 0.040423 0.247847 0.224 Uiso 1 1 calc R U . . .
C317 C -0.4227(2) 0.07082(15) 0.25985(13) 0.1933(19) Uani 1 1 d D U . . .
H31F H -0.451598 0.060133 0.260067 0.232 Uiso 1 1 calc R U . . .
N304 N 0.0104(2) 0.06363(12) 0.43236(9) 0.141(2) Uani 1 1 d . . . . .
C318 C 0.0413(3) 0.06387(15) 0.44949(11) 0.172(3) Uani 1 1 d . . . . .
H31D H 0.074071 0.059122 0.446521 0.207 Uiso 1 1 calc R U . . .
C319 C 0.0276(3) 0.07122(14) 0.47342(12) 0.168(3) Uani 1 1 d . . . . .
H31G H 0.050131 0.071265 0.486841 0.201 Uiso 1 1 calc R U . . .
C320 C -0.0197(3) 0.07812(16) 0.47563(14) 0.185(4) Uani 1 1 d . . . . .
H32A H -0.029453 0.084054 0.491200 0.222 Uiso 1 1 calc R U . . .
C321 C -0.0524(3) 0.07741(16) 0.45884(13) 0.188(4) Uani 1 1 d . . . . .
H32B H -0.085789 0.080817 0.461504 0.226 Uiso 1 1 calc R U . . .
C322 C -0.0333(3) 0.07083(15) 0.43500(12) 0.142(3) Uani 1 1 d . . . . .
N305 N -0.04826(17) 0.06487(10) 0.39185(9) 0.127(2) Uani 1 1 d . . . . .
C323 C -0.0718(3) 0.07014(14) 0.41517(11) 0.135(3) Uani 1 1 d . . . . .
C324 C -0.1203(2) 0.07486(16) 0.41323(13) 0.172(4) Uani 1 1 d . . . . .
H32C H -0.136955 0.078924 0.427659 0.207 Uiso 1 1 calc R U . . .
C325 C -0.1451(2) 0.07420(15) 0.39313(13) 0.160(3) Uani 1 1 d . . . . .
H32D H -0.179287 0.076275 0.394037 0.192 Uiso 1 1 calc R U . . .
C326 C -0.1260(2) 0.07065(15) 0.36973(11) 0.143(3) Uani 1 1 d . . . . .
C327 C -0.0785(2) 0.06412(13) 0.37182(10) 0.127(3) Uani 1 1 d . . . . .
H32E H -0.063979 0.058143 0.357282 0.152 Uiso 1 1 calc R U . . .
N306 N -0.1573(2) 0.06962(13) 0.35133(8) 0.193(3) Uani 1 1 d D U . . .
H30H H -0.188641 0.068795 0.354075 0.232 Uiso 1 1 calc R U . . .
C328 C -0.1432(3) 0.0698(2) 0.32994(15) 0.229(3) Uani 1 1 d D U . . .
O302 O -0.0927(3) 0.06912(14) 0.32126(10) 0.265(3) Uani 1 1 d . U . . .
C329 C -0.1875(3) 0.06999(16) 0.30985(11) 0.181(2) Uani 1 1 d D U . . .
C330 C -0.1768(3) 0.07568(15) 0.28743(12) 0.193(3) Uani 1 1 d D U . . .
H33A H -0.144945 0.081984 0.284283 0.232 Uiso 1 1 calc R U . . .
C331 C -0.2062(3) 0.07327(15) 0.27007(12) 0.195(3) Uani 1 1 d D U . . .
H33B H -0.197570 0.080300 0.254672 0.234 Uiso 1 1 calc R U . . .
C332 C -0.2527(3) 0.06021(17) 0.27235(12) 0.190(3) Uani 1 1 d D U . . .
C333 C -0.2659(3) 0.05357(15) 0.29487(11) 0.182(3) Uani 1 1 d D U . . .
H33D H -0.297334 0.046146 0.297232 0.218 Uiso 1 1 calc R U . . .
C334 C -0.2345(2) 0.05730(15) 0.31486(12) 0.194(3) Uani 1 1 d D U . . .
H33E H -0.242960 0.051944 0.330779 0.232 Uiso 1 1 calc R U . . .
N307 N 0.04231(17) -0.10647(9) 0.14647(9) 0.1147(19) Uani 1 1 d . . . . .
N308 N -0.01772(13) -0.07238(8) 0.16611(7) 0.0883(15) Uani 1 1 d D U . . .
C335 C 0.0763(2) -0.12302(12) 0.13624(10) 0.124(3) Uani 1 1 d . . . . .
H33C H 0.069629 -0.130911 0.120712 0.148 Uiso 1 1 calc R U . . .
C336 C 0.1205(2) -0.12851(14) 0.14821(14) 0.155(3) Uani 1 1 d . . . . .
H33F H 0.144257 -0.138845 0.139965 0.186 Uiso 1 1 calc R U . . .
C337 C 0.1312(3) -0.11966(15) 0.17131(13) 0.171(3) Uani 1 1 d . . . . .
H33G H 0.160565 -0.124544 0.179698 0.206 Uiso 1 1 calc R U . . .
C338 C 0.0979(2) -0.10381(13) 0.18130(14) 0.168(3) Uani 1 1 d . . . . .
H33H H 0.104815 -0.096775 0.197126 0.202 Uiso 1 1 calc R U . . .
C339 C 0.0528(2) -0.09669(12) 0.16998(11) 0.116(2) Uani 1 1 d . . . . .
C340 C 0.01823(19) -0.07878(12) 0.18014(9) 0.099(2) Uani 1 1 d D U . . .
C341 C 0.0204(2) -0.07307(11) 0.20436(10) 0.127(3) Uani 1 1 d D . . . .
H34A H 0.045242 -0.080526 0.214724 0.153 Uiso 1 1 calc R U . . .
C342 C -0.0158(2) -0.05566(11) 0.21343(10) 0.120(3) Uani 1 1 d D . . . .
H34B H -0.014637 -0.051370 0.230273 0.144 Uiso 1 1 calc R U . . .
C343 C -0.0530(2) -0.04443(11) 0.19912(9) 0.116(2) Uani 1 1 d D U . . .
C344 C -0.05024(17) -0.05516(10) 0.17460(9) 0.092(2) Uani 1 1 d D . . . .
H34C H -0.074716 -0.049063 0.163327 0.110 Uiso 1 1 calc R U . . .
N309 N -0.09105(18) -0.02488(11) 0.20333(9) 0.1590(18) Uani 1 1 d D U . . .
H30I H -0.102857 -0.014415 0.191524 0.191 Uiso 1 1 calc R U . . .
O303 O -0.0875(2) -0.03429(11) 0.24559(11) 0.229(2) Uani 1 1 d . U . . .
O3L O -0.1197(3) -0.00584(16) 0.16146(16) 0.159(2) Uani 0.5 1 d . U P . .
C345 C -0.1067(3) -0.02325(15) 0.22430(13) 0.174(2) Uani 1 1 d D U . . .
C346 C -0.14897(12) -0.00263(6) 0.22584(7) 0.163(2) Uani 1 1 d DG U . . .
C347 C -0.17796(15) -0.00467(9) 0.24602(7) 0.194(2) Uani 1 1 d G U . . .
H34D H -0.170407 -0.017807 0.258345 0.233 Uiso 1 1 calc R U . . .
C348 C -0.21799(15) 0.01253(11) 0.24818(9) 0.188(2) Uani 1 1 d G U . . .
H34E H -0.237797 0.011137 0.261978 0.226 Uiso 1 1 calc R U . . .
C349 C -0.22903(14) 0.03175(9) 0.23015(11) 0.170(2) Uani 1 1 d DG U . . .
C350 C -0.20004(17) 0.03379(8) 0.20997(10) 0.185(2) Uani 1 1 d G U . . .
H35A H -0.207594 0.046928 0.197648 0.222 Uiso 1 1 calc R U . . .
C351 C -0.16001(15) 0.01659(8) 0.20781(7) 0.173(2) Uani 1 1 d G U . . .
H35B H -0.140204 0.017985 0.194013 0.208 Uiso 1 1 calc R U . . .
N310 N -0.5701(2) 0.03982(14) 0.05009(12) 0.2197(16) Uani 1 1 d D U . . .
C352 C -0.5987(3) 0.04378(17) 0.02910(14) 0.2288(19) Uani 1 1 d D U . . .
H35C H -0.619374 0.059353 0.027186 0.275 Uiso 1 1 calc R U . . .
C353 C -0.5956(3) 0.02407(16) 0.01131(15) 0.229(2) Uani 1 1 d D U . . .
H35D H -0.618266 0.025544 -0.001984 0.275 Uiso 1 1 calc R U . . .
C354 C -0.5631(3) 0.00222(17) 0.01059(14) 0.235(2) Uani 1 1 d D U . . .
H35E H -0.561733 -0.010626 -0.002391 0.282 Uiso 1 1 calc R U . . .
C355 C -0.5299(3) 0.00144(17) 0.03330(14) 0.2307(17) Uani 1 1 d D U . . .
H35F H -0.504495 -0.011771 0.034613 0.277 Uiso 1 1 calc R U . . .
C356 C -0.5369(3) 0.02009(16) 0.05207(15) 0.2142(17) Uani 1 1 d D U . . .
N311 N -0.5152(2) 0.04165(14) 0.08774(12) 0.2116(14) Uani 1 1 d D U . . .
C357 C -0.5031(3) 0.01978(16) 0.07416(15) 0.2096(15) Uani 1 1 d D U . . .
C358 C -0.4705(3) 0.00199(16) 0.07498(14) 0.2163(15) Uani 1 1 d D U . . .
H35G H -0.466319 -0.011733 0.062925 0.260 Uiso 1 1 calc R U . . .
C359 C -0.4400(3) 0.00486(16) 0.09661(13) 0.2188(15) Uani 1 1 d D U . . .
H35H H -0.413515 -0.007581 0.098600 0.263 Uiso 1 1 calc R U . . .
C360 C -0.4466(3) 0.02589(17) 0.11616(14) 0.2159(15) Uani 1 1 d D U . . .
C361 C -0.4875(3) 0.04236(16) 0.10881(13) 0.2114(15) Uani 1 1 d D U . . .
H36A H -0.496798 0.055855 0.120255 0.254 Uiso 1 1 calc R U . . .
N312 N -0.4152(2) 0.03225(10) 0.13725(11) 0.2094(14) Uani 1 1 d D U . . .
H31I H -0.413494 0.048533 0.145033 0.251 Uiso 0.6667 1 d R U P N 1
H31H H -0.399594 0.018653 0.145413 0.251 Uiso 0.3333 1 d R U P O 2
C366 C -0.3160(3) 0.04275(13) 0.21051(13) 0.2043(16) Uani 1 1 d D U . . .
C362 C -0.3898(3) 0.00980(14) 0.14412(18) 0.2127(15) Uani 0.6667 1 d D U P P 1
O304 O -0.3600(6) -0.0119(3) 0.1331(3) 0.2109(16) Uani 0.25 1 d D U P P 1
O34' O -0.3852(8) -0.0194(2) 0.1388(4) 0.2115(16) Uani 0.25 1 d D U P P 1
C363 C -0.3690(4) 0.0251(2) 0.16933(17) 0.2095(16) Uani 0.6667 1 d D U P P 1
C364 C -0.3483(4) 0.0090(2) 0.18671(17) 0.2100(17) Uani 0.6667 1 d D U P P 1
H36B H -0.352295 -0.010141 0.183860 0.252 Uiso 0.6667 1 calc R U P Q 1
C365 C -0.3228(4) 0.01502(19) 0.20755(18) 0.2104(17) Uani 0.6667 1 d D U P P 1
H36C H -0.311008 0.001537 0.218753 0.253 Uiso 0.6667 1 calc R U P R 1
C367 C -0.3280(4) 0.0624(2) 0.19493(18) 0.2129(17) Uani 0.6667 1 d D U P P 1
H36D H -0.320163 0.081351 0.196989 0.255 Uiso 0.6667 1 calc R U P S 1
C368 C -0.3548(4) 0.0511(2) 0.17431(19) 0.2087(17) Uani 0.6667 1 d D U P P 1
H36E H -0.363928 0.064199 0.162209 0.250 Uiso 0.6667 1 calc R U P T 1
C62C C -0.4108(6) 0.05873(14) 0.1451(2) 0.2120(18) Uiso 0.3333 1 d D U P P 2
O04C O -0.4195(8) 0.0871(3) 0.1345(3) 0.2142(17) Uiso 0.25 1 d D U P P 2
O4CC O -0.4447(6) 0.0819(3) 0.1469(4) 0.2123(17) Uiso 0.25 1 d D U P P 2
C63C C -0.3794(5) 0.0508(3) 0.1691(2) 0.2118(18) Uiso 0.3333 1 d D U P P 2
C64C C -0.3547(6) 0.0272(3) 0.1757(3) 0.2080(19) Uiso 0.3333 1 d D U P P 2
H64A H -0.356146 0.013073 0.163769 0.250 Uiso 0.3333 1 calc R U P U 2
C65C C -0.3281(7) 0.0201(3) 0.1965(3) 0.2106(19) Uiso 0.3333 1 d D U P P 2
H65A H -0.319265 0.001714 0.200667 0.253 Uiso 0.3333 1 calc R U P V 2
C67C C -0.3238(7) 0.0698(3) 0.2033(3) 0.212(2) Uiso 0.3333 1 d D U P P 2
H67A H -0.309714 0.085293 0.211392 0.254 Uiso 0.3333 1 calc R U P W 2
C68C C -0.3560(6) 0.0719(3) 0.1818(3) 0.2104(19) Uiso 0.3333 1 d D U P P 2
H68A H -0.361759 0.090007 0.175791 0.252 Uiso 0.3333 1 calc R U P X 2
C40G C 0.1262(3) 0.12687(18) 0.20472(16) 0.196(4) Uani 1 1 d . U . . .
C41G C 0.1321(3) 0.12703(15) 0.18266(14) 0.184(4) Uani 1 1 d D U . . .
N407 N -0.01159(17) -0.10415(10) 0.09444(8) 0.1119(19) Uani 1 1 d . . . . .
N408 N 0.01713(14) -0.05686(9) 0.11337(8) 0.0967(17) Uani 1 1 d . . . . .
H40K H 0.052292 0.017264 0.139313 0.116 Uiso 0.75 1 d R U P Y 1
H40J H 0.098602 0.021514 0.123063 0.116 Uiso 0.25 1 d R U P Z 2
N410 N 0.27528(17) 0.21584(11) -0.01682(8) 0.120(2) Uani 1 1 d . . . . .
N411 N 0.23970(16) 0.19913(9) 0.02568(8) 0.1057(18) Uani 1 1 d . . . . .
N412 N 0.21409(18) 0.18826(10) 0.08878(7) 0.129(2) Uani 1 1 d . . . . .
H41G H 0.192137 0.175425 0.085831 0.155 Uiso 1 1 calc R U . . .
N401 N 0.0131(3) 0.01084(12) 0.40115(10) 0.192(3) Uani 1 1 d . . . . .
C401 C 0.0029(3) -0.00674(18) 0.42278(12) 0.206(4) Uani 1 1 d . . . . .
H40A H 0.004172 0.002224 0.438120 0.248 Uiso 1 1 calc R U . . .
C402 C -0.0078(3) -0.03324(14) 0.42296(15) 0.225(5) Uani 1 1 d . . . . .
H40B H -0.012020 -0.043198 0.437601 0.270 Uiso 1 1 calc R U . . .
C403 C -0.0123(3) -0.04536(16) 0.40059(14) 0.221(4) Uani 1 1 d . . . . .
H40C H -0.022656 -0.063969 0.399327 0.265 Uiso 1 1 calc R U . . .
C404 C -0.0019(3) -0.03100(15) 0.38002(10) 0.188(4) Uani 1 1 d . . . . .
H40D H -0.003698 -0.040183 0.364786 0.225 Uiso 1 1 calc R U . . .
C405 C 0.0106(2) -0.00437(12) 0.38072(15) 0.163(3) Uani 1 1 d . . . . .
N402 N 0.02879(17) 0.03610(9) 0.35772(9) 0.122(2) Uani 1 1 d . . . . .
C406 C 0.0182(2) 0.00977(14) 0.35539(10) 0.140(3) Uani 1 1 d . . . . .
C407 C 0.0193(3) -0.00619(17) 0.33325(11) 0.194(4) Uani 1 1 d . . . . .
H40E H 0.011981 -0.025294 0.332387 0.233 Uiso 1 1 calc R U . . .
C408 C 0.0310(2) 0.00824(13) 0.31505(12) 0.142(3) Uani 1 1 d . . . . .
H40F H 0.033286 -0.000845 0.299846 0.170 Uiso 1 1 calc R U . . .
C409 C 0.0390(2) 0.05073(12) 0.33833(10) 0.120(2) Uani 1 1 d . . . . .
H40G H 0.044846 0.069978 0.339414 0.144 Uiso 1 1 calc R U . . .
C410 C 0.0409(2) 0.03664(15) 0.31579(10) 0.139(3) Uani 1 1 d . . . . .
N403 N 0.05284(19) 0.05594(11) 0.29661(8) 0.150(2) Uani 1 1 d . . . . .
H40H H 0.048219 0.073711 0.298659 0.181 Uiso 1 1 calc R U . . .
C411 C 0.0711(2) 0.04646(14) 0.27567(12) 0.128(3) Uani 1 1 d . . . . .
O401 O 0.0777(3) 0.02047(15) 0.26986(14) 0.148(4) Uani 0.5 1 d . . P . .
O01D O 0.0914(4) 0.0292(2) 0.27643(19) 0.215(6) Uani 0.5 1 d . . P . .
C412 C 0.0859(2) 0.06826(12) 0.25758(10) 0.111(2) Uani 1 1 d . . . . .
C413 C 0.1183(2) 0.06218(14) 0.24095(11) 0.151(3) Uani 1 1 d . . . . .
H41A H 0.133231 0.044554 0.241340 0.181 Uiso 1 1 calc R U . . .
C414 C 0.1306(2) 0.08037(13) 0.22342(11) 0.133(3) Uani 1 1 d . . . . .
H41B H 0.154907 0.075644 0.212222 0.160 Uiso 1 1 calc R U . . .
C415 C 0.1102(2) 0.10321(13) 0.22201(11) 0.118(2) Uani 1 1 d . U . . .
C416 C 0.0741(2) 0.11135(14) 0.23832(12) 0.152(3) Uani 1 1 d . . . . .
H41D H 0.057388 0.128429 0.237068 0.183 Uiso 1 1 calc R U . . .
C417 C 0.0651(2) 0.09160(13) 0.25679(11) 0.138(3) Uani 1 1 d . . . . .
H41E H 0.042618 0.096062 0.268984 0.165 Uiso 1 1 calc R U . . .
N404 N 0.26576(16) 0.35501(12) 0.30341(8) 0.134(2) Uani 1 1 d . . . . .
N405 N 0.24058(16) 0.30885(10) 0.28238(8) 0.1268(19) Uani 1 1 d . . . . .
N406 N 0.1966(2) 0.24368(10) 0.26559(12) 0.191(3) Uani 1 1 d . . . . .
H40I H 0.183326 0.247899 0.251341 0.230 Uiso 1 1 calc R U . . .
C418 C 0.2825(2) 0.38024(15) 0.31365(12) 0.155(3) Uani 1 1 d . U . . .
H41C H 0.286225 0.395883 0.303518 0.186 Uiso 1 1 calc R U . . .
C419 C 0.2930(2) 0.38213(15) 0.33763(13) 0.161(3) Uani 1 1 d . . . . .
H41F H 0.305073 0.398955 0.344228 0.193 Uiso 1 1 calc R U . . .
C420 C 0.2863(2) 0.35912(14) 0.35315(12) 0.137(3) Uani 1 1 d . . . . .
H42A H 0.292645 0.360163 0.370175 0.164 Uiso 1 1 calc R U . . .
C421 C 0.2694(2) 0.33444(13) 0.34180(13) 0.132(3) Uani 1 1 d . . . . .
H42B H 0.264043 0.318890 0.351838 0.159 Uiso 1 1 calc R U . . .
C422 C 0.2605(2) 0.33168(17) 0.31714(9) 0.144(3) Uani 1 1 d . . . . .
C423 C 0.2449(2) 0.30719(13) 0.30558(10) 0.120(2) Uani 1 1 d . U . . .
C424 C 0.2334(2) 0.28346(13) 0.31755(12) 0.143(3) Uani 1 1 d . . . . .
H42C H 0.235789 0.283024 0.334795 0.171 Uiso 1 1 calc R U . . .
C425 C 0.2199(3) 0.26258(15) 0.30640(10) 0.154(3) Uani 1 1 d . . . . .
H42D H 0.213312 0.245706 0.314381 0.185 Uiso 1 1 calc R U . . .
C426 C 0.2151(2) 0.26565(12) 0.28078(12) 0.124(3) Uani 1 1 d . U . . .
C427 C 0.2280(2) 0.28898(12) 0.27016(10) 0.112(2) Uani 1 1 d . U . . .
H42E H 0.227473 0.290215 0.252939 0.134 Uiso 1 1 calc R U . . .
O402 O 0.1926(3) 0.20363(17) 0.29577(15) 0.129(3) Uiso 0.5 1 d . . P . .
O02D O 0.2270(3) 0.20616(19) 0.28915(17) 0.154(3) Uiso 0.5 1 d . . P . .
C428 C 0.1985(3) 0.21960(17) 0.27150(12) 0.170(3) Uani 1 1 d . U . . .
C429 C 0.1827(3) 0.19196(13) 0.25133(11) 0.162(3) Uani 1 1 d D . . . .
C430 C 0.1505(2) 0.20254(13) 0.23338(10) 0.156(3) Uani 1 1 d D . . . .
H43A H 0.141141 0.221373 0.233001 0.188 Uiso 1 1 calc R U . . .
C431 C 0.1317(3) 0.18216(15) 0.21486(12) 0.216(4) Uani 1 1 d D . . . .
H43B H 0.111643 0.188294 0.201591 0.260 Uiso 1 1 calc R U . . .
C432 C 0.1436(3) 0.15397(16) 0.21701(14) 0.209(4) Uani 1 1 d D . . . .
C433 C 0.1765(3) 0.14669(14) 0.23461(14) 0.270(5) Uani 1 1 d D . . . .
H43D H 0.186558 0.127989 0.235132 0.324 Uiso 1 1 calc R U . . .
C434 C 0.1962(3) 0.16394(14) 0.25154(14) 0.235(4) Uani 1 1 d D . . . .
H43E H 0.218942 0.157231 0.263432 0.281 Uiso 1 1 calc R U . . .
C435 C -0.0282(2) -0.12530(12) 0.08378(10) 0.117(2) Uani 1 1 d . . . . .
H43C H -0.046594 -0.137129 0.093729 0.140 Uiso 1 1 calc R U . . .
C436 C -0.0242(2) -0.13385(12) 0.06086(11) 0.133(3) Uani 1 1 d . . . . .
H43F H -0.039238 -0.150302 0.055087 0.159 Uiso 1 1 calc R U . . .
C437 C 0.0026(2) -0.11757(13) 0.04633(12) 0.145(3) Uani 1 1 d . . . . .
H43G H 0.008232 -0.122837 0.030038 0.174 Uiso 1 1 calc R U . . .
C438 C 0.0202(3) -0.09498(13) 0.05486(12) 0.150(3) Uani 1 1 d . . . . .
H43H H 0.037518 -0.082886 0.044673 0.180 Uiso 1 1 calc R U . . .
C439 C 0.0135(2) -0.08812(12) 0.07989(11) 0.123(3) Uani 1 1 d . . . . .
C440 C 0.0305(2) -0.06322(12) 0.09065(10) 0.107(2) Uani 1 1 d . . . . .
C441 C 0.0606(2) -0.04241(13) 0.08051(11) 0.147(3) Uani 1 1 d . . . . .
H44A H 0.071964 -0.045611 0.064633 0.176 Uiso 1 1 calc R U . . .
C442 C 0.0742(2) -0.01877(13) 0.09135(10) 0.141(3) Uani 1 1 d . . . . .
H44B H 0.094438 -0.005941 0.083451 0.169 Uiso 1 1 calc R U . . .
C443 C 0.0578(2) -0.01381(12) 0.11417(10) 0.110(2) Uani 1 1 d . . . . .
C444 C 0.03104(18) -0.03392(11) 0.12459(9) 0.090(2) Uani 1 1 d . . . . .
H44C H 0.021735 -0.031359 0.140919 0.108 Uiso 1 1 calc R U . . .
N409 N 0.06946(17) 0.01068(10) 0.12727(9) 0.1308(18) Uani 1 1 d D U . . .
C449 C 0.11652(16) 0.09805(11) 0.17193(9) 0.1232(19) Uani 1 1 d D U . . .
C445 C 0.1110(3) 0.02702(16) 0.12269(15) 0.144(2) Uani 0.75 1 d D U P A 1
O403 O 0.1434(3) 0.02382(16) 0.10766(14) 0.148(3) Uani 0.5 1 d . U P A 1
C446 C 0.1100(3) 0.05230(17) 0.14160(15) 0.126(2) Uani 0.6667 1 d D U P A 1
C447 C 0.1536(3) 0.06272(16) 0.14570(15) 0.123(2) Uani 0.6667 1 d D U P A 1
H44D H 0.181628 0.054813 0.138774 0.147 Uiso 0.6667 1 calc R U P A 1
C448 C 0.1571(3) 0.08657(17) 0.16111(15) 0.129(2) Uani 0.6667 1 d D U P A 1
H44E H 0.188079 0.094796 0.164037 0.154 Uiso 0.6667 1 calc R U P A 1
C450 C 0.0725(3) 0.08555(16) 0.16812(15) 0.128(2) Uani 0.6667 1 d D U P A 1
H45A H 0.044215 0.092262 0.175659 0.154 Uiso 0.6667 1 calc R U P A 1
C451 C 0.0703(3) 0.06316(16) 0.15317(15) 0.121(2) Uani 0.6667 1 d D U P A 1
H45B H 0.039616 0.054480 0.150543 0.145 Uiso 0.6667 1 calc R U P A 1
C45D C 0.0442(6) 0.0230(3) 0.1460(3) 0.132(3) Uiso 0.25 1 d D U P A 2
O03D O 0.0237(4) 0.0043(2) 0.1739(2) 0.067(4) Uiso 0.25 1 d . U P A 2
O3DD O 0.0077(5) 0.0095(3) 0.1666(2) 0.086(4) Uiso 0.25 1 d . U P A 2
C46D C 0.0699(2) 0.05227(17) 0.1520(2) 0.125(3) Uiso 0.3333 1 d D U P A 2
C47D C 0.1193(2) 0.05781(17) 0.1500(3) 0.128(3) Uiso 0.3333 1 d D U P A 2
H47B H 0.139408 0.043188 0.144802 0.153 Uiso 0.3333 1 calc R U P A 2
C48D C 0.1417(3) 0.08286(15) 0.15509(18) 0.129(3) Uiso 0.3333 1 d D U P A 2
H48B H 0.170737 0.088877 0.147862 0.155 Uiso 0.3333 1 calc R U P A 2
C50D C 0.0671(2) 0.09462(18) 0.1767(2) 0.131(3) Uiso 0.3333 1 d D U P A 2
H50B H 0.049764 0.106621 0.187009 0.158 Uiso 0.3333 1 calc R U P A 2
C51D C 0.0458(3) 0.07212(15) 0.16515(19) 0.130(3) Uiso 0.3333 1 d D U P A 2
H51B H 0.011600 0.070147 0.166332 0.156 Uiso 0.3333 1 calc R U P A 2
C452 C 0.29361(19) 0.22460(13) -0.03895(10) 0.118(2) Uani 1 1 d . . . . .
H45C H 0.284466 0.214430 -0.053096 0.141 Uiso 1 1 calc R U . . .
C453 C 0.3229(2) 0.24609(13) -0.04169(13) 0.148(3) Uani 1 1 d . . . . .
H45D H 0.335002 0.250587 -0.057173 0.177 Uiso 1 1 calc R U . . .
C454 C 0.3360(3) 0.26271(15) -0.02021(12) 0.166(3) Uani 1 1 d . . . . .
H45E H 0.354911 0.278997 -0.021275 0.199 Uiso 1 1 calc R U . . .
C455 C 0.3189(2) 0.25315(15) 0.00186(10) 0.144(3) Uani 1 1 d . . . . .
H45F H 0.327317 0.262355 0.016612 0.173 Uiso 1 1 calc R U . . .
C456 C 0.2899(2) 0.23030(14) 0.00188(11) 0.123(3) Uani 1 1 d . . . . .
C457 C 0.27066(19) 0.21934(13) 0.02582(9) 0.102(2) Uani 1 1 d . . . . .
C458 C 0.2848(2) 0.23195(13) 0.04790(11) 0.132(3) Uani 1 1 d . . . . .
H45G H 0.306971 0.246929 0.048260 0.158 Uiso 1 1 calc R U . . .
C459 C 0.2646(2) 0.22156(13) 0.07003(10) 0.121(3) Uani 1 1 d . . . . .
H45H H 0.272213 0.230261 0.085120 0.145 Uiso 1 1 calc R U . . .
C460 C 0.2345(2) 0.19912(12) 0.06919(11) 0.107(2) Uani 1 1 d . . . . .
C461 C 0.2218(2) 0.18954(12) 0.04658(9) 0.109(2) Uani 1 1 d . . . . .
H46A H 0.198615 0.175054 0.045504 0.130 Uiso 1 1 calc R U . . .
C462 C 0.2224(2) 0.19418(13) 0.11191(12) 0.136(3) Uani 1 1 d . . . . .
O044 O 0.25274(18) 0.21303(10) 0.11851(7) 0.163(2) Uani 1 1 d . . . . .
C463 C 0.1937(2) 0.17754(12) 0.13030(10) 0.113(2) Uani 1 1 d . U . . .
C464 C 0.1533(2) 0.16654(12) 0.12631(10) 0.110(2) Uani 1 1 d . . . . .
H46B H 0.138178 0.168571 0.110684 0.132 Uiso 1 1 calc R U . . .
C465 C 0.1310(2) 0.15230(12) 0.14278(10) 0.128(3) Uani 1 1 d . . . . .
H46C H 0.099910 0.144657 0.138903 0.153 Uiso 1 1 calc R U . . .
C466 C 0.1499(2) 0.14844(14) 0.16399(13) 0.146(3) Uani 1 1 d D U . . .
C467 C 0.1929(3) 0.15796(15) 0.17098(11) 0.164(3) Uani 1 1 d . . . . .
H46E H 0.207466 0.153659 0.186374 0.196 Uiso 1 1 calc R U . . .
C468 C 0.2168(2) 0.17561(14) 0.15340(12) 0.159(3) Uani 1 1 d . . . . .
H46F H 0.246058 0.185189 0.157316 0.191 Uiso 1 1 calc R U . . .
C50G C -0.1784(3) 0.10485(14) 0.03626(12) 0.165(3) Uani 1 1 d . . . . .
C50H C -0.1485(3) 0.11857(17) 0.02580(14) 0.242(5) Uani 1 1 d D . . . .
N501 N -0.06978(17) -0.12156(9) 0.14060(8) 0.1159(19) Uani 1 1 d . . . . .
C501 C -0.05592(19) -0.14367(13) 0.15081(9) 0.110(2) Uani 1 1 d . . . . .
H50C H -0.022378 -0.148245 0.150464 0.132 Uiso 1 1 calc R U . . .
C502 C -0.0860(2) -0.16121(12) 0.16221(10) 0.114(2) Uani 1 1 d . . . . .
H50D H -0.074289 -0.178296 0.168404 0.137 Uiso 1 1 calc R U . . .
C503 C -0.1320(2) -0.15406(11) 0.16453(9) 0.102(2) Uani 1 1 d . . . . .
H50E H -0.154044 -0.165615 0.172744 0.123 Uiso 1 1 calc R U . . .
C504 C -0.1469(2) -0.12929(11) 0.15464(9) 0.099(2) Uani 1 1 d . . . . .
H50F H -0.179398 -0.123044 0.156239 0.119 Uiso 1 1 calc R U . . .
C505 C -0.11485(19) -0.11441(10) 0.14284(9) 0.0802(19) Uani 1 1 d . U . . .
N502 N -0.09369(15) -0.07284(8) 0.12272(7) 0.0882(16) Uani 1 1 d . . . . .
C506 C -0.13100(18) -0.08922(11) 0.13024(9) 0.086(2) Uani 1 1 d . . . . .
C507 C -0.17742(19) -0.08027(12) 0.12514(10) 0.106(2) Uani 1 1 d . . . . .
H50G H -0.204176 -0.091350 0.129612 0.128 Uiso 1 1 calc R U . . .
C508 C -0.18627(19) -0.05437(11) 0.11312(10) 0.101(2) Uani 1 1 d . . . . .
H50H H -0.218710 -0.048065 0.110596 0.121 Uiso 1 1 calc R U . . .
C509 C -0.10566(19) -0.04864(11) 0.11023(9) 0.095(2) Uani 1 1 d . . . . .
H50I H -0.079543 -0.037846 0.104525 0.114 Uiso 1 1 calc R U . . .
C510 C -0.15020(16) -0.03946(12) 0.10566(10) 0.089(2) Uani 1 1 d . U . . .
N503 N -0.15475(16) -0.01414(9) 0.09440(8) 0.1175(19) Uani 1 1 d D . . . .
H50K H -0.181908 -0.010258 0.085539 0.141 Uiso 0.5 1 d R U P B 1
H50J H -0.129288 -0.002588 0.096068 0.141 Uiso 0.5 1 d R U P C 2
C517 C -0.1813(2) 0.02663(11) 0.06680(10) 0.135(3) Uani 1 1 d D . . . .
H51E H -0.201911 0.010804 0.068256 0.162 Uiso 0.5 1 d R U P D 1
C511 C -0.1157(4) 0.00729(19) 0.0963(2) 0.111(4) Uiso 0.5 1 d D . P E 1
O501 O -0.0778(4) 0.0109(3) 0.1134(2) 0.075(4) Uiso 0.25 1 d . . P E 1
O51' O -0.0669(4) 0.0081(3) 0.0968(2) 0.079(4) Uiso 0.25 1 d . . P E 1
C512 C -0.1377(4) 0.03147(19) 0.0798(2) 0.134(5) Uiso 0.5 1 d D . P E 1
C513 C -0.1171(4) 0.05841(18) 0.08462(18) 0.113(4) Uiso 0.5 1 d D . P E 1
H51C H -0.092151 0.060762 0.096741 0.135 Uiso 0.5 1 calc R U P E 1
C514 C -0.1337(3) 0.0798(2) 0.07178(17) 0.109(4) Uiso 0.5 1 d D . P E 1
H51D H -0.122284 0.097837 0.075589 0.131 Uiso 0.5 1 calc R U P E 1
C515 C -0.1693(3) 0.07595(19) 0.05190(18) 0.097(4) Uiso 0.5 1 d D . P E 1
C516 C -0.1900(5) 0.0491(2) 0.0499(2) 0.192(7) Uiso 0.5 1 d D . P E 1
H51F H -0.211308 0.045662 0.036333 0.230 Uiso 0.5 1 calc R U P E 1
C11E C -0.1954(4) -0.0041(2) 0.0812(2) 0.128(5) Uiso 0.5 1 d D . P E 2
O01E O -0.2310(4) -0.0165(2) 0.08053(18) 0.043(3) Uiso 0.25 1 d . . P E 2
O1EE O -0.2517(4) -0.0124(3) 0.0817(2) 0.069(4) Uiso 0.25 1 d . . P E 2
C12E C -0.1517(3) 0.04260(17) 0.07934(16) 0.077(3) Uiso 0.5 1 d D . P E 2
H12F H -0.136755 0.038358 0.094642 0.092 Uiso 0.5 1 calc R U P E 2
C13E C -0.1460(6) 0.0670(3) 0.0663(2) 0.246(9) Uiso 0.5 1 d D . P E 2
H13I H -0.122581 0.079605 0.072756 0.295 Uiso 0.5 1 calc R U P E 2
C14E C -0.1710(6) 0.0753(3) 0.0445(3) 0.295(12) Uiso 0.5 1 d D . P E 2
C15E C -0.2019(4) 0.05313(19) 0.0379(2) 0.131(5) Uiso 0.5 1 d D . P E 2
H15C H -0.222271 0.057534 0.024169 0.157 Uiso 0.5 1 calc R U P E 2
C16E C -0.2101(4) 0.0268(2) 0.04601(18) 0.132(5) Uiso 0.5 1 d D . P E 2
H16A H -0.230129 0.012737 0.039175 0.158 Uiso 0.5 1 calc R U P E 2
N504 N 0.2948(2) 0.15487(10) -0.00755(8) 0.130(2) Uani 1 1 d . . . . .
N505 N 0.19875(16) 0.14476(11) 0.00126(8) 0.121(2) Uani 1 1 d . . . . .
N506 N 0.07971(15) 0.11645(10) 0.01377(8) 0.1077(18) Uani 1 1 d . . . . .
H50L H 0.066795 0.133027 0.013757 0.129 Uiso 1 1 calc R U . . .
C518 C 0.3434(2) 0.1589(2) -0.01148(13) 0.198(4) Uani 1 1 d . . . . .
H51G H 0.352099 0.177525 -0.014272 0.238 Uiso 1 1 calc R U . . .
C519 C 0.3775(3) 0.14261(19) -0.01201(17) 0.223(5) Uani 1 1 d . . . . .
H51H H 0.410068 0.148306 -0.014435 0.267 Uiso 1 1 calc R U . . .
C520 C 0.3648(3) 0.11542(19) -0.00882(14) 0.201(4) Uani 1 1 d . . . . .
H52A H 0.389345 0.101894 -0.010792 0.242 Uiso 1 1 calc R U . . .
C521 C 0.3152(3) 0.10569(14) -0.00248(12) 0.158(3) Uani 1 1 d . . . . .
H52B H 0.307031 0.087052 0.000664 0.190 Uiso 1 1 calc R U . . .
C522 C 0.2814(2) 0.12846(14) -0.00177(11) 0.121(3) Uani 1 1 d . . . . .
C523 C 0.2291(2) 0.12314(13) 0.00361(9) 0.106(2) Uani 1 1 d . . . . .
C524 C 0.2074(2) 0.09691(13) 0.00961(11) 0.129(3) Uani 1 1 d . . . . .
H52C H 0.227440 0.080985 0.010649 0.155 Uiso 1 1 calc R U . . .
C525 C 0.1584(2) 0.09453(13) 0.01386(10) 0.124(3) Uani 1 1 d . . . . .
H52D H 0.145532 0.077403 0.018975 0.149 Uiso 1 1 calc R U . . .
C526 C 0.1291(2) 0.11616(11) 0.01081(10) 0.103(2) Uani 1 1 d . U . . .
C527 C 0.1507(2) 0.14241(11) 0.00458(9) 0.098(2) Uani 1 1 d . . . . .
H52E H 0.130483 0.158195 0.002814 0.118 Uiso 1 1 calc R U . . .
O502 O 0.06651(16) 0.07080(10) 0.01770(8) 0.157(2) Uani 1 1 d . . . . .
C528 C 0.0466(3) 0.09535(14) 0.01677(12) 0.146(3) Uani 1 1 d . . . . .
C529 C -0.00274(17) 0.09894(12) 0.02019(10) 0.099(2) Uani 1 1 d . . . . .
C530 C -0.03531(19) 0.08124(13) 0.01369(11) 0.122(3) Uani 1 1 d . . . . .
H53A H -0.023752 0.064724 0.006642 0.146 Uiso 1 1 calc R U . . .
C531 C -0.0828(2) 0.08324(13) 0.01561(11) 0.131(3) Uani 1 1 d . . . . .
H53B H -0.105007 0.069410 0.010258 0.157 Uiso 1 1 calc R U . . .
C532 C -0.0964(2) 0.10729(17) 0.02612(14) 0.172(3) Uani 1 1 d D . . . .
C533 C -0.0670(2) 0.12842(15) 0.03544(12) 0.157(3) Uani 1 1 d . . . . .
H53D H -0.078963 0.144316 0.043349 0.189 Uiso 1 1 calc R U . . .
C534 C -0.0175(2) 0.12333(13) 0.03171(10) 0.127(3) Uani 1 1 d . . . . .
H53E H 0.006181 0.136420 0.036991 0.153 Uiso 1 1 calc R U . . .
N507 N -0.32442(16) 0.34127(9) -0.05884(8) 0.1042(18) Uani 1 1 d . . . . .
N508 N -0.28786(15) 0.29472(9) -0.03764(7) 0.0904(16) Uani 1 1 d . . . . .
N509 N -0.21571(17) 0.23567(10) -0.02343(9) 0.132(2) Uani 1 1 d . . . . .
H50M H -0.232580 0.231801 -0.010523 0.158 Uiso 1 1 calc R U . . .
C535 C -0.3417(2) 0.36544(12) -0.06410(9) 0.108(2) Uani 1 1 d . . . . .
H53C H -0.374162 0.370161 -0.060365 0.129 Uiso 1 1 calc R U . . .
C536 C -0.3113(2) 0.38449(14) -0.07544(11) 0.143(3) Uani 1 1 d . . . . .
H53F H -0.325527 0.401575 -0.080163 0.172 Uiso 1 1 calc R U . . .
C537 C -0.2650(2) 0.38095(13) -0.08018(11) 0.146(3) Uani 1 1 d . . . . .
H53G H -0.245736 0.394810 -0.087357 0.175 Uiso 1 1 calc R U . . .
C538 C -0.2475(2) 0.35608(11) -0.07398(10) 0.124(3) Uani 1 1 d . . . . .
H53H H -0.214841 0.351442 -0.077391 0.149 Uiso 1 1 calc R U . . .
C539 C -0.27678(18) 0.33715(11) -0.06262(9) 0.0811(18) Uani 1 1 d . U . . .
C540 C -0.26035(19) 0.30961(11) -0.05264(9) 0.095(2) Uani 1 1 d . U . . .
C541 C -0.2161(2) 0.29845(11) -0.05988(9) 0.103(2) Uani 1 1 d . . . . .
H54A H -0.197089 0.308370 -0.071062 0.124 Uiso 1 1 calc R U . . .
C542 C -0.1992(2) 0.27322(11) -0.05113(10) 0.115(2) Uani 1 1 d . . . . .
H54B H -0.169411 0.265270 -0.055912 0.138 Uiso 1 1 calc R U . . .
C543 C -0.2296(2) 0.26077(11) -0.03489(10) 0.102(2) Uani 1 1 d . U . . .
C544 C -0.27336(19) 0.27165(11) -0.02890(9) 0.090(2) Uani 1 1 d . U . . .
H54C H -0.293398 0.261921 -0.018066 0.109 Uiso 1 1 calc R U . . .
C545 C -0.1812(2) 0.21628(16) -0.02850(13) 0.150(3) Uani 1 1 d . . . . .
O503 O -0.15074(17) 0.22070(9) -0.04551(9) 0.166(2) Uani 1 1 d . . . . .
C546 C -0.1784(2) 0.19035(14) -0.01296(12) 0.132(3) Uani 1 1 d . . . . .
C547 C -0.1930(2) 0.19281(13) 0.00988(12) 0.139(3) Uani 1 1 d . . . . .
H54D H -0.205508 0.209413 0.016377 0.167 Uiso 1 1 calc R U . . .
C548 C -0.1885(3) 0.17032(13) 0.02219(14) 0.168(3) Uani 1 1 d . . . . .
H54E H -0.200687 0.169971 0.038164 0.201 Uiso 1 1 calc R U . . .
C549 C -0.1667(3) 0.14624(13) 0.01335(13) 0.155(3) Uani 1 1 d D U . . .
C550 C -0.1521(3) 0.14712(16) -0.00869(13) 0.198(4) Uani 1 1 d . . . . .
H55A H -0.138583 0.131036 -0.015634 0.237 Uiso 1 1 calc R U . . .
C551 C -0.1556(2) 0.17081(15) -0.02245(13) 0.162(3) Uani 1 1 d . . . . .
H55B H -0.141700 0.172288 -0.037997 0.194 Uiso 1 1 calc R U . . .
N510 N -0.6285(2) 0.09065(13) 0.06448(12) 0.1929(16) Uani 1 1 d D U . . .
C552 C -0.6758(2) 0.08593(16) 0.06775(14) 0.2096(19) Uani 1 1 d D U . . .
H55C H -0.685278 0.067992 0.072635 0.252 Uiso 1 1 calc R U . . .
C553 C -0.7118(3) 0.10559(14) 0.06444(14) 0.203(2) Uani 1 1 d D U . . .
H55D H -0.744877 0.101554 0.067485 0.244 Uiso 1 1 calc R U . . .
C554 C -0.6981(3) 0.13075(15) 0.05670(14) 0.1975(19) Uani 1 1 d D U . . .
H55E H -0.723233 0.143653 0.053071 0.237 Uiso 1 1 calc R U . . .
C555 C -0.6475(2) 0.14004(15) 0.05336(14) 0.1987(17) Uani 1 1 d D U . . .
H55F H -0.635760 0.157599 0.048697 0.238 Uiso 1 1 calc R U . . .
C556 C -0.6216(3) 0.11574(14) 0.05900(14) 0.1824(17) Uani 1 1 d D U . . .
N511 N -0.53712(19) 0.09931(12) 0.06454(11) 0.1891(14) Uani 1 1 d D U . . .
C557 C -0.5669(2) 0.11971(13) 0.05493(13) 0.1833(15) Uani 1 1 d D U . . .
C558 C -0.5427(2) 0.14056(14) 0.04385(13) 0.1892(15) Uani 1 1 d D U . . .
H55G H -0.562200 0.155061 0.037316 0.227 Uiso 1 1 calc R U . . .
C559 C -0.4935(2) 0.14303(14) 0.04103(13) 0.1904(15) Uani 1 1 d D U . . .
H55H H -0.478894 0.157800 0.032599 0.229 Uiso 1 1 calc R U . . .
C560 C -0.4661(2) 0.12052(13) 0.05238(13) 0.1855(15) Uani 1 1 d D U . . .
C561 C -0.4866(2) 0.09825(13) 0.06354(13) 0.1799(15) Uani 1 1 d D U . . .
H56A H -0.467999 0.083378 0.070030 0.216 Uiso 1 1 calc R U . . .
N512 N -0.4156(2) 0.12038(12) 0.04928(10) 0.1811(14) Uani 1 1 d D U . . .
H51J H -0.396943 0.112907 0.061256 0.217 Uiso 0.5 1 d R U P F 1
H51I H -0.403283 0.130187 0.037026 0.217 Uiso 0.5 1 d R U P G 2
C565 C -0.2615(2) 0.11621(15) 0.01774(12) 0.1867(17) Uani 1 1 d D U . . .
H56E H -0.244905 0.114054 0.002754 0.224 Uiso 1 1 d R U . H .
C566 C -0.2355(2) 0.11078(16) 0.03905(12) 0.1781(17) Uani 1 1 d D U . . .
C562 C -0.3901(3) 0.1315(3) 0.0291(2) 0.1865(18) Uiso 0.5 1 d D U P H 1
O504 O -0.4066(7) 0.1439(4) 0.0116(4) 0.1812(18) Uiso 0.25 1 d . U P H 1
O54' O -0.4020(7) 0.1560(4) 0.0173(4) 0.1818(18) Uiso 0.25 1 d . U P H 1
C563 C -0.3358(2) 0.1218(2) 0.03637(15) 0.1839(16) Uani 0.75 1 d D U P H 1
C564 C -0.3089(3) 0.1232(2) 0.01632(16) 0.1883(17) Uani 0.75 1 d D U P H 1
H56B H -0.323273 0.128975 0.001289 0.226 Uiso 0.75 1 calc R U P H 1
C567 C -0.2606(3) 0.1131(2) 0.06017(15) 0.1800(17) Uani 0.75 1 d D U P H 1
H56C H -0.243446 0.111904 0.075345 0.216 Uiso 0.75 1 calc R U P H 1
C568 C -0.3117(3) 0.1171(2) 0.05978(15) 0.1823(17) Uani 0.75 1 d D U P H 1
H56D H -0.329513 0.116781 0.074314 0.219 Uiso 0.75 1 calc R U P H 1
C62E C -0.3861(3) 0.1047(3) 0.0648(2) 0.1896(18) Uiso 0.5 1 d D U P H 2
O04E O -0.3908(7) 0.0846(4) 0.0848(4) 0.169(3) Uiso 0.25 1 d . U P H 2
O4EE O -0.3904(7) 0.0899(4) 0.0919(4) 0.174(3) Uiso 0.25 1 d . U P H 2
C63E C -0.3345(3) 0.1096(6) 0.0538(2) 0.1849(19) Uiso 0.25 1 d D U P H 2
C64E C -0.3110(5) 0.1142(6) 0.0294(2) 0.183(2) Uiso 0.25 1 d D U P H 2
H64B H -0.335818 0.116640 0.017264 0.220 Uiso 0.25 1 calc R U P H 2
C67E C -0.2413(5) 0.1100(6) 0.0645(2) 0.183(2) Uiso 0.25 1 d D U P H 2
H67B H -0.216509 0.112128 0.076711 0.220 Uiso 0.25 1 calc R U P H 2
C68E C -0.2910(4) 0.1053(6) 0.0681(2) 0.184(2) Uiso 0.25 1 d D U P H 2
H68B H -0.297032 0.097503 0.083594 0.221 Uiso 0.25 1 calc R U P H 2
C603 C -0.7214(3) 0.02729(17) 0.11294(14) 0.2433(17) Uani 1 1 d D U . . .
H60E H -0.752972 0.033385 0.107330 0.292 Uiso 1 1 d R U . I .
C604 C -0.6801(3) 0.03736(17) 0.13267(14) 0.2389(17) Uani 1 1 d D U . . .
H60F H -0.689921 0.044907 0.147865 0.287 Uiso 1 1 d R U . I .
N01F N -0.6163(4) 0.0353(2) 0.10198(19) 0.216(2) Uiso 0.5 1 d D U P I 2
C01F C -0.6381(4) 0.0101(3) 0.0948(3) 0.228(2) Uiso 0.5 1 d D U P I 2
H01B H -0.623230 -0.001573 0.083327 0.273 Uiso 0.5 1 calc R U P I 2
C02F C -0.6844(4) 0.0023(3) 0.1056(3) 0.229(2) Uiso 0.5 1 d D U P I 2
H02C H -0.692519 -0.016427 0.108264 0.275 Uiso 0.5 1 calc R U P I 2
C05F C -0.6262(4) 0.0355(2) 0.1279(2) 0.224(2) Uiso 0.5 1 d D U P I 2
N601 N -0.6383(4) 0.0503(2) 0.0915(2) 0.225(2) Uiso 0.5 1 d D U P I 1
C601 C -0.6602(4) 0.0260(3) 0.0831(2) 0.221(2) Uiso 0.5 1 d D U P I 1
H60A H -0.640839 0.014255 0.073588 0.265 Uiso 0.5 1 calc R U P I 1
C602 C -0.7106(4) 0.0165(3) 0.0876(2) 0.232(2) Uiso 0.5 1 d D U P I 1
H60B H -0.731331 0.006026 0.077054 0.278 Uiso 0.5 1 calc R U P I 1
C605 C -0.6596(4) 0.0570(3) 0.11437(19) 0.216(2) Uiso 0.5 1 d D U P I 1
N602 N -0.5790(2) 0.08346(11) 0.11112(10) 0.2203(14) Uani 1 1 d D U . . .
C606 C -0.6035(3) 0.06925(14) 0.12852(10) 0.2252(15) Uani 1 1 d D U . . .
C607 C -0.6178(2) 0.07705(13) 0.15221(11) 0.2275(14) Uani 1 1 d D U . . .
H60C H -0.639845 0.067407 0.162123 0.273 Uiso 1 1 calc R U . . .
C608 C -0.5921(2) 0.10300(12) 0.15854(12) 0.2250(14) Uani 1 1 d D U . . .
H60D H -0.601640 0.111266 0.173289 0.270 Uiso 1 1 calc R U . . .
C609 C -0.5561(2) 0.11727(14) 0.14644(10) 0.2070(13) Uani 1 1 d D U . . .
C610 C -0.5565(3) 0.10543(12) 0.12344(10) 0.2128(13) Uani 1 1 d D U . . .
H61A H -0.535302 0.115042 0.113083 0.255 Uiso 1 1 calc R U . . .
N604 N -0.54143(17) 0.21606(11) 0.39334(9) 0.1307(15) Uani 1 1 d . U . . .
C618 C -0.5552(2) 0.20746(15) 0.41545(12) 0.1470(18) Uani 1 1 d . U . . .
H61F H -0.563896 0.188802 0.418146 0.176 Uiso 1 1 calc R U . . .
C619 C -0.5564(2) 0.22771(14) 0.43515(12) 0.1409(18) Uani 1 1 d . U . . .
H61G H -0.567588 0.222884 0.450740 0.169 Uiso 1 1 calc R U . . .
C620 C -0.5420(2) 0.25169(14) 0.43068(12) 0.1495(18) Uani 1 1 d . U . . .
H62A H -0.539013 0.264084 0.443989 0.179 Uiso 1 1 calc R U . . .
C621 C -0.5302(2) 0.26163(15) 0.40798(11) 0.1443(18) Uani 1 1 d . U . . .
H62B H -0.524293 0.280557 0.404878 0.173 Uiso 1 1 calc R U . . .
C622 C -0.5278(2) 0.24154(15) 0.39031(12) 0.1396(17) Uani 1 1 d . U . . .
N605 N -0.51608(18) 0.22742(11) 0.34964(10) 0.1453(15) Uani 1 1 d . U . . .
C623 C -0.5144(2) 0.24910(15) 0.36530(12) 0.1434(17) Uani 1 1 d . U . . .
C624 C -0.5000(2) 0.27332(15) 0.35785(12) 0.1542(16) Uani 1 1 d . U . . .
H62C H -0.498415 0.287936 0.369313 0.185 Uiso 1 1 calc R U . . .
C625 C -0.4868(2) 0.27891(15) 0.33377(12) 0.1542(16) Uani 1 1 d . U . . .
H62D H -0.476635 0.296571 0.328520 0.185 Uiso 1 1 calc R U . . .
C626 C -0.4901(3) 0.25625(16) 0.31844(13) 0.1639(14) Uani 1 1 d . U . . .
C627 C -0.5057(2) 0.23219(15) 0.32611(13) 0.1599(14) Uani 1 1 d . U . . .
H62E H -0.509738 0.217634 0.314708 0.192 Uiso 1 1 calc R U . . .
O602 O -0.46979(17) 0.30567(11) 0.28726(9) 0.1853(17) Uani 1 1 d . U . . .
N606 N -0.4758(2) 0.25784(13) 0.29439(11) 0.1778(11) Uani 1 1 d . U . . .
H60G H -0.471540 0.242026 0.286933 0.213 Uiso 1 1 calc R U . . .
C628 C -0.4683(3) 0.27886(17) 0.28222(13) 0.1848(11) Uani 1 1 d D U . . .
C629 C -0.4553(3) 0.27382(15) 0.25390(12) 0.1887(11) Uani 1 1 d D U . . .
C630 C -0.4627(3) 0.29617(15) 0.23846(12) 0.1970(11) Uani 1 1 d D U . . .
H63A H -0.472773 0.313817 0.243824 0.236 Uiso 1 1 calc R U . . .
C631 C -0.4534(3) 0.28964(15) 0.21312(13) 0.1983(11) Uani 1 1 d D U . . .
H63B H -0.460118 0.303225 0.201072 0.238 Uiso 1 1 calc R U . . .
C632 C -0.4347(3) 0.26374(15) 0.20578(13) 0.1967(11) Uani 1 1 d D U . . .
C633 C -0.4186(3) 0.24426(15) 0.22174(12) 0.1986(11) Uani 1 1 d D U . . .
H63D H -0.400990 0.228459 0.216915 0.238 Uiso 1 1 calc R U . . .
C634 C -0.4312(3) 0.24983(15) 0.24794(13) 0.1918(11) Uani 1 1 d D U . . .
H63E H -0.422534 0.236877 0.260250 0.230 Uiso 1 1 calc R U . . .
N607 N -0.38349(18) 0.28426(11) -0.06253(9) 0.1396(15) Uani 1 1 d . U . . .
C635 C -0.3740(2) 0.28624(14) -0.08617(12) 0.1490(18) Uani 1 1 d . U . . .
H63C H -0.360807 0.302816 -0.092334 0.179 Uiso 1 1 calc R U . . .
C636 C -0.3833(2) 0.26426(14) -0.10180(12) 0.1475(18) Uani 1 1 d . U . . .
H63F H -0.373868 0.265839 -0.118195 0.177 Uiso 1 1 calc R U . . .
C637 C -0.4046(2) 0.24134(15) -0.09499(12) 0.1507(18) Uani 1 1 d . U . . .
H63G H -0.413630 0.227276 -0.106229 0.181 Uiso 1 1 calc R U . . .
C638 C -0.4130(2) 0.23908(15) -0.07043(12) 0.1542(18) Uani 1 1 d . U . . .
H63H H -0.426480 0.222680 -0.064041 0.185 Uiso 1 1 calc R U . . .
C639 C -0.4015(2) 0.26102(16) -0.05527(13) 0.1544(17) Uani 1 1 d . U . . .
N608 N -0.38778(19) 0.27850(12) -0.01487(10) 0.1519(15) Uani 1 1 d . U . . .
C640 C -0.4071(3) 0.25923(16) -0.02728(13) 0.1617(16) Uani 1 1 d . U . . .
C641 C -0.4333(2) 0.23724(15) -0.01785(13) 0.1671(16) Uani 1 1 d . U . . .
H64D H -0.448394 0.223697 -0.027965 0.201 Uiso 1 1 calc R U . . .
C642 C -0.4358(3) 0.23647(16) 0.00812(13) 0.1722(14) Uani 1 1 d . U . . .
H64E H -0.453417 0.222770 0.016498 0.207 Uiso 1 1 calc R U . . .
C643 C -0.4101(3) 0.25763(17) 0.02011(14) 0.1791(13) Uani 1 1 d . U . . .
C644 C -0.3867(2) 0.27848(15) 0.00925(13) 0.1692(15) Uani 1 1 d . U . . .
H64F H -0.370243 0.292412 0.018386 0.203 Uiso 1 1 calc R U . . .
N609 N -0.4121(2) 0.25558(12) 0.04714(11) 0.1849(11) Uani 1 1 d . U . . .
H60J H -0.438006 0.248126 0.053483 0.222 Uiso 1 1 calc R U . . .
C645 C -0.3749(3) 0.26493(16) 0.06281(15) 0.1939(11) Uani 1 1 d D U . . .
O63' O -0.3437(3) 0.28636(19) 0.05682(19) 0.1911(12) Uani 0.5 1 d D U P . .
O603 O -0.3302(3) 0.2586(2) 0.05248(18) 0.1938(12) Uani 0.5 1 d D U P . .
C646 C -0.3958(2) 0.25992(17) 0.09036(14) 0.1941(11) Uani 1 1 d D U . . .
C647 C -0.4436(3) 0.26074(16) 0.09542(13) 0.2007(11) Uani 1 1 d D U . . .
H64G H -0.468973 0.260212 0.083382 0.241 Uiso 1 1 calc R U . . .
C648 C -0.4522(3) 0.26263(16) 0.12306(13) 0.2018(11) Uani 1 1 d D U . . .
H64H H -0.483885 0.262973 0.129449 0.242 Uiso 1 1 calc R U . . .
C649 C -0.4137(3) 0.26371(17) 0.13675(10) 0.1974(11) Uani 1 1 d D U . . .
C650 C -0.3687(3) 0.26712(16) 0.12850(13) 0.2004(11) Uani 1 1 d D U . . .
H65C H -0.343794 0.271691 0.140133 0.240 Uiso 1 1 calc R U . . .
C651 C -0.3545(3) 0.26445(16) 0.10331(13) 0.2060(11) Uani 1 1 d D U . . .
H65D H -0.322517 0.265650 0.097284 0.247 Uiso 1 1 calc R U . . .
N610 N -0.2213(2) 0.50802(14) 0.20380(13) 0.2117(17) Uani 1 1 d . U . . .
C652 C -0.1978(3) 0.53007(17) 0.21347(16) 0.2198(19) Uani 1 1 d . U . . .
H65E H -0.191989 0.534746 0.230053 0.264 Uiso 1 1 calc R U . . .
C653 C -0.1836(3) 0.54475(19) 0.19171(16) 0.233(2) Uani 1 1 d . U . . .
H65F H -0.163782 0.560318 0.195269 0.280 Uiso 1 1 calc R U . . .
C654 C -0.1931(3) 0.54099(18) 0.16550(16) 0.232(2) Uani 1 1 d . U . . .
H65G H -0.182892 0.552992 0.153005 0.279 Uiso 1 1 calc R U . . .
C655 C -0.2226(3) 0.51390(18) 0.16179(17) 0.2307(18) Uani 1 1 d . U . . .
H65H H -0.234205 0.507844 0.146269 0.277 Uiso 1 1 calc R U . . .
C656 C -0.2310(3) 0.49885(18) 0.18365(16) 0.2131(17) Uani 1 1 d D U . . .
N611 N -0.2657(2) 0.45891(13) 0.19810(11) 0.2009(14) Uani 1 1 d D U . . .
C657 C -0.2587(3) 0.47475(16) 0.17735(13) 0.2129(16) Uani 1 1 d D U . . .
C658 C -0.2748(3) 0.46585(15) 0.15388(14) 0.2176(15) Uani 1 1 d D U . . .
H65I H -0.272675 0.477538 0.140120 0.261 Uiso 1 1 calc R U . . .
C659 C -0.2942(3) 0.43891(15) 0.15178(14) 0.2123(15) Uani 1 1 d D U . . .
H65J H -0.302573 0.431950 0.136085 0.255 Uiso 1 1 calc R U . . .
C660 C -0.3020(3) 0.42069(16) 0.17391(13) 0.2048(14) Uani 1 1 d D U . . .
C661 C -0.2842(3) 0.43381(15) 0.19484(13) 0.2048(14) Uani 1 1 d D U . . .
H66A H -0.285438 0.423018 0.209198 0.246 Uiso 1 1 calc R U . . .
N612 N -0.3246(2) 0.39348(13) 0.17098(12) 0.2037(12) Uani 1 1 d . U . . .
H61I H -0.344238 0.389087 0.158215 0.244 Uiso 0.6667 1 d R U P J 1
H61H H -0.318868 0.382077 0.183615 0.244 Uiso 0.3333 1 d R U P K 2
C664 C -0.3716(2) 0.35252(12) 0.16253(12) 0.2008(11) Uani 1 1 d D U . . .
H66C H -0.377664 0.368927 0.153208 0.241 Uiso 0.6667 1 d R U P L 1
C662 C -0.3100(3) 0.37254(18) 0.19395(17) 0.2002(12) Uani 0.6667 1 d D U P M 1
C663 C -0.3388(3) 0.35096(16) 0.17967(16) 0.1975(12) Uani 0.6667 1 d D U P M 1
C665 C -0.3971(4) 0.32677(18) 0.1598(2) 0.1980(11) Uani 0.6667 1 d D U P M 1
H66B H -0.427752 0.327523 0.151527 0.238 Uiso 0.6667 1 calc R U P M 1
C666 C -0.3821(3) 0.30078(14) 0.1680(2) 0.1997(11) Uani 0.6667 1 d D U P M 1
C667 C -0.3454(4) 0.3030(2) 0.18562(19) 0.1963(11) Uani 0.6667 1 d D U P M 1
H66D H -0.336634 0.286990 0.194636 0.236 Uiso 0.6667 1 calc R U P M 1
C668 C -0.3210(4) 0.32709(18) 0.1908(2) 0.2010(11) Uani 0.6667 1 d D U P M 1
H66E H -0.293223 0.327441 0.201460 0.241 Uiso 0.6667 1 calc R U P M 1
O64' O -0.2740(4) 0.3755(3) 0.2072(2) 0.2020(14) Uiso 0.3333 1 d D U P M 1
O604 O -0.2954(5) 0.3818(3) 0.2133(2) 0.2018(14) Uiso 0.3333 1 d D U P M 1
C62F C -0.3597(7) 0.37859(19) 0.1468(2) 0.2033(13) Uiso 0.3333 1 d D U P M 2
O04F O -0.3605(6) 0.3944(3) 0.1273(2) 0.198(3) Uiso 0.3333 1 d D U P M 2
C63F C -0.4167(5) 0.3443(3) 0.1536(4) 0.1984(13) Uiso 0.3333 1 d D U P M 2
H63I H -0.439728 0.358013 0.148952 0.238 Uiso 0.3333 1 calc R U P M 2
C65F C -0.3491(6) 0.3361(2) 0.1774(3) 0.1980(13) Uiso 0.3333 1 d D U P M 2
H65K H -0.323349 0.343360 0.187354 0.238 Uiso 0.3333 1 calc R U P M 2
C66F C -0.3601(5) 0.3086(3) 0.1797(4) 0.1984(13) Uiso 0.3333 1 d D U P M 2
H66F H -0.338307 0.294793 0.185585 0.238 Uiso 0.3333 1 calc R U P M 2
C67F C -0.4098(5) 0.30387(15) 0.1719(2) 0.1975(13) Uiso 0.3333 1 d D U P M 2
C68F C -0.4296(6) 0.3169(3) 0.1513(3) 0.1963(13) Uiso 0.3333 1 d D U P M 2
H68C H -0.448067 0.308688 0.138380 0.236 Uiso 0.3333 1 calc R U P M 2
C60G C -0.4294(2) 0.25244(13) 0.17398(14) 0.2009(11) Uani 1 1 d D U . . .
C61G C -0.4120(3) 0.27327(9) 0.16427(10) 0.2028(11) Uani 1 1 d D U . . .
N603 N -0.5345(2) 0.14165(13) 0.15353(10) 0.2053(11) Uani 1 1 d D U . . .
H60I H -0.511064 0.149098 0.144561 0.246 Uiso 0.5 1 d R U P N 1
H60H H -0.547094 0.152988 0.164651 0.246 Uiso 0.5 1 d R U P O 2
C615 C -0.44997(19) 0.22500(12) 0.17081(13) 0.1954(11) Uani 1 1 d D U . . .
C611 C -0.5520(5) 0.1562(3) 0.1775(2) 0.2076(14) Uiso 0.5 1 d D U P P 1
O61' O -0.5715(8) 0.1471(5) 0.1945(4) 0.2049(15) Uiso 0.25 1 d . U P P 1
O601 O -0.5880(8) 0.1604(4) 0.1920(4) 0.2033(15) Uiso 0.25 1 d . U P P 1
C612 C -0.5180(3) 0.18249(14) 0.1725(2) 0.2005(13) Uiso 0.5 1 d D U P P 1
C613 C -0.4736(2) 0.18136(18) 0.1607(2) 0.2001(13) Uiso 0.5 1 d D U P P 1
H61B H -0.468059 0.164899 0.151902 0.240 Uiso 0.5 1 calc R U P P 1
C614 C -0.4366(3) 0.20065(14) 0.1600(2) 0.1998(13) Uiso 0.5 1 d D U P P 1
H61C H -0.406039 0.197518 0.152900 0.240 Uiso 0.5 1 calc R U P P 1
C616 C -0.4961(2) 0.23290(14) 0.1781(2) 0.1981(13) Uiso 0.5 1 d D U P P 1
H61D H -0.505236 0.251283 0.181741 0.238 Uiso 0.5 1 calc R U P P 1
C617 C -0.5276(3) 0.20991(13) 0.1793(2) 0.2000(13) Uiso 0.5 1 d D U P P 1
H61E H -0.558902 0.213365 0.185528 0.240 Uiso 0.5 1 calc R U P P 1
C11F C -0.4856(5) 0.1466(3) 0.1382(2) 0.2041(14) Uiso 0.5 1 d D U P P 2
O01F O -0.4611(4) 0.1379(2) 0.12034(19) 0.190(2) Uiso 0.5 1 d . U P P 2
C12F C -0.4695(4) 0.1731(2) 0.1543(2) 0.1993(13) Uiso 0.5 1 d D U P P 2
C13F C -0.4245(4) 0.1868(2) 0.1535(3) 0.1994(13) Uiso 0.5 1 d D U P P 2
H13J H -0.399440 0.175643 0.147209 0.239 Uiso 0.5 1 calc R U P P 2
C14F C -0.4081(4) 0.2137(2) 0.1600(3) 0.1984(13) Uiso 0.5 1 d D U P P 2
H14F H -0.377228 0.221900 0.157731 0.238 Uiso 0.5 1 calc R U P P 2
C16F C -0.4907(4) 0.2189(2) 0.1780(3) 0.1997(13) Uiso 0.5 1 d D U P P 2
H16H H -0.511977 0.228830 0.188126 0.240 Uiso 0.5 1 calc R U P P 2
C17F C -0.4967(5) 0.1922(2) 0.1665(2) 0.2011(13) Uiso 0.5 1 d D U P P 2
H17A H -0.529228 0.185930 0.167827 0.241 Uiso 0.5 1 calc R U P P 2
B1 B -0.5619(3) 0.20881(17) -0.00090(16) 0.372(8) Uiso 1 1 d D U . . .
F11 F -0.5980(2) 0.20118(12) 0.01671(11) 0.292(3) Uiso 1 1 d D U . . .
F12 F -0.5555(2) 0.23741(13) -0.00397(12) 0.318(3) Uiso 1 1 d D U . . .
F13 F -0.5186(2) 0.19147(12) 0.00229(11) 0.292(3) Uiso 1 1 d D U . . .
F14 F -0.58067(19) 0.20032(11) -0.02458(10) 0.261(2) Uiso 1 1 d D U . . .
B2 B 0.2928(3) 0.22747(18) -0.10361(17) 0.192(3) Uiso 1 1 d D U . . .
F21 F 0.2577(3) 0.22893(17) -0.12696(14) 0.165(3) Uiso 0.5 1 d D U P . .
F22 F 0.2996(3) 0.20000(18) -0.09712(17) 0.197(3) Uiso 0.5 1 d D U P . .
F23 F 0.2504(3) 0.23863(17) -0.08973(14) 0.174(3) Uiso 0.5 1 d D U P . .
F24 F 0.3332(2) 0.23987(14) -0.09963(12) 0.126(2) Uiso 0.5 1 d D U P . .
F25 F 0.2893(3) 0.25174(18) -0.09547(17) 0.209(3) Uiso 0.5 1 d D U P . .
F26 F 0.3442(3) 0.2247(2) -0.10981(19) 0.237(3) Uiso 0.5 1 d D U P . .
F27 F 0.2769(3) 0.20449(18) -0.09638(16) 0.190(3) Uiso 0.5 1 d D U P . .
F28 F 0.2788(3) 0.22395(16) -0.12865(14) 0.163(3) Uiso 0.5 1 d D U P . .
B3 B 0.0148(3) 0.30034(19) 0.38917(17) 0.210(4) Uiso 1 1 d D U . . .
F31 F 0.0525(3) 0.31436(16) 0.39725(14) 0.165(3) Uiso 0.5 1 d D U P . .
F32 F 0.0665(3) 0.30936(18) 0.38629(16) 0.193(3) Uiso 0.5 1 d D U P . .
F33 F 0.0252(3) 0.28907(18) 0.36574(15) 0.185(3) Uiso 0.5 1 d D U P . .
F34 F 0.0134(3) 0.27340(18) 0.38132(17) 0.201(3) Uiso 0.5 1 d D U P . .
F35 F 0.0061(3) 0.2765(2) 0.40336(18) 0.222(3) Uiso 0.5 1 d D U P . .
F36 F -0.0210(3) 0.32162(15) 0.38296(14) 0.155(3) Uiso 0.5 1 d D U P . .
F37 F 0.0114(3) 0.29889(17) 0.41336(14) 0.180(3) Uiso 0.5 1 d D U P . .
F38 F -0.0124(3) 0.30902(17) 0.37201(15) 0.181(3) Uiso 0.5 1 d D U P . .
B4 B -0.0105(3) 0.9002(2) 0.45647(17) 0.215(4) Uiso 1 1 d D U . . .
F41 F 0.0364(3) 0.9138(2) 0.45448(18) 0.220(3) Uiso 0.5 1 d D U P . .
F42 F -0.0455(3) 0.92447(15) 0.46366(14) 0.157(3) Uiso 0.5 1 d D U P . .
F43 F -0.0375(3) 0.89438(16) 0.43501(14) 0.164(3) Uiso 0.5 1 d D U P . .
F44 F 0.0249(3) 0.88728(18) 0.47068(15) 0.189(3) Uiso 0.5 1 d D U P . .
F45 F -0.0118(3) 0.88463(18) 0.47708(15) 0.195(3) Uiso 0.5 1 d D U P . .
F46 F -0.0623(4) 0.8866(2) 0.4652(2) 0.275(4) Uiso 0.5 1 d D U P . .
F47 F -0.0110(3) 0.92378(18) 0.46554(16) 0.199(3) Uiso 0.5 1 d D U P . .
F48 F -0.0020(3) 0.89674(18) 0.43453(15) 0.186(3) Uiso 0.5 1 d D U P . .
B5 B -0.3997(4) 0.1855(2) 0.2984(2) 0.269(4) Uiso 1 1 d D U . . .
F51 F -0.3557(4) 0.1967(2) 0.2925(2) 0.252(4) Uiso 0.5 1 d D U P . .
F52 F -0.3960(3) 0.17926(19) 0.26748(17) 0.444(4) Uiso 1 1 d D U . . .
F53 F -0.4531(4) 0.1923(3) 0.2844(2) 0.291(4) Uiso 0.5 1 d D U P . .
F54 F -0.4163(4) 0.1523(2) 0.3014(2) 0.268(4) Uiso 0.5 1 d D U P . .
F55 F -0.3988(4) 0.1592(2) 0.3058(2) 0.237(4) Uiso 0.5 1 d D U P . .
F56 F -0.4386(4) 0.2070(2) 0.2904(2) 0.289(4) Uiso 0.5 1 d D U P . .
F57 F -0.3827(4) 0.2165(2) 0.3088(2) 0.277(4) Uiso 0.5 1 d D U P . .
B6 B 0.0700(4) 0.1847(2) 0.06348(19) 0.271(4) Uiso 1 1 d D U . . .
F61 F 0.0992(4) 0.2012(2) 0.0460(2) 0.262(4) Uiso 0.5 1 d D U P . .
F62 F 0.0903(4) 0.1723(2) 0.04557(18) 0.243(3) Uiso 0.5 1 d D U P . .
F63 F 0.0291(3) 0.20364(19) 0.05895(17) 0.215(3) Uiso 0.5 1 d D U P . .
F64 F 0.0608(4) 0.1681(2) 0.0862(2) 0.288(4) Uiso 0.5 1 d D U P . .
F65 F 0.0611(4) 0.1597(2) 0.0578(2) 0.257(4) Uiso 0.5 1 d D U P . .
F66 F 0.0828(4) 0.1982(2) 0.08447(19) 0.256(4) Uiso 0.5 1 d D U P . .
F67 F 0.0199(4) 0.1814(2) 0.0648(2) 0.277(4) Uiso 0.5 1 d D U P . .
F68 F 0.1133(4) 0.1907(3) 0.0781(2) 0.287(4) Uiso 0.5 1 d D U P . .
B7 B -1.2598(6) -0.3740(3) 0.1198(3) 0.194(8) Uiso 0.5 1 d D U P Q 1
F71 F -1.2338(3) -0.35148(18) 0.11662(16) 0.207(4) Uiso 0.5 1 d D U P Q 1
F72 F -1.2406(3) -0.38910(16) 0.13510(14) 0.174(3) Uiso 0.5 1 d D U P Q 1
F73 F -1.2967(3) -0.36051(15) 0.12832(14) 0.160(3) Uiso 0.5 1 d D U P Q 1
F74 F -1.2705(3) -0.37862(19) 0.09974(16) 0.206(4) Uiso 0.5 1 d D U P Q 1
B8 B -1.2023(4) -0.5433(3) 0.3382(3) 0.324(5) Uiso 0.5 1 d D U P . .
F81 F -1.1985(11) -0.5192(4) 0.3531(5) 0.383(9) Uiso 0.25 1 d D U P . .
F82 F -1.1493(6) -0.5442(6) 0.3429(5) 0.318(6) Uiso 0.25 1 d D U P . .
F83 F -1.2011(11) -0.5604(5) 0.3181(4) 0.321(5) Uiso 0.25 1 d D U P . .
F84 F -1.2506(7) -0.5432(6) 0.3282(5) 0.349(6) Uiso 0.25 1 d D U P . .
F85 F -1.1493(6) -0.5442(6) 0.3429(5) 0.318(6) Uiso 0.25 1 d D U P . .
F86 F -1.2011(11) -0.5604(5) 0.3181(4) 0.321(5) Uiso 0.25 1 d D U P . .
F87 F -1.2504(7) -0.5312(6) 0.3319(5) 0.347(6) Uiso 0.25 1 d D U P . .
F88 F -1.1864(9) -0.5577(5) 0.3583(4) 0.325(5) Uiso 0.25 1 d D U P . .
B9 B -0.5739(5) 0.3065(3) 0.1708(3) 0.286(6) Uiso 0.5 1 d D U P . .
F91 F -0.6065(4) 0.3195(3) 0.1556(2) 0.309(4) Uiso 0.5 1 d D U P . .
F92 F -0.6124(4) 0.2937(3) 0.1566(2) 0.320(4) Uiso 0.5 1 d D U P . .
F93 F -0.5874(9) 0.2776(4) 0.1752(5) 0.287(5) Uiso 0.25 1 d D U P . .
F94 F -0.5554(8) 0.2847(4) 0.1557(4) 0.291(5) Uiso 0.25 1 d D U P . .
F95 F -0.5663(9) 0.2930(5) 0.1910(3) 0.296(5) Uiso 0.25 1 d D U P . .
F96 F -0.5319(7) 0.3007(5) 0.1594(4) 0.288(5) Uiso 0.25 1 d D U P . .
B10 B -0.2653(4) -0.0262(2) -0.0135(2) 0.252(4) Uiso 0.75 1 d D U P . .
F101 F -0.2899(5) -0.0041(3) -0.0259(3) 0.256(4) Uiso 0.375 1 d D U P . .
F102 F -0.2694(5) -0.0007(3) 0.0017(3) 0.254(4) Uiso 0.375 1 d D U P . .
F103 F -0.2913(5) -0.0358(3) 0.0063(2) 0.239(4) Uiso 0.375 1 d D U P . .
F104 F -0.2251(4) -0.0282(3) -0.0009(2) 0.230(4) Uiso 0.375 1 d D U P . .
F105 F -0.2793(5) -0.0156(3) -0.0358(2) 0.248(4) Uiso 0.375 1 d D U P . .
F106 F -0.2793(5) -0.0475(3) -0.0314(2) 0.243(4) Uiso 0.375 1 d D U P . .
F107 F -0.2972(5) -0.0454(3) -0.0110(3) 0.236(4) Uiso 0.375 1 d D U P . .
F108 F -0.2251(5) -0.0357(3) -0.0287(3) 0.265(4) Uiso 0.375 1 d D U P . .
B11 B 0.4458(4) 0.8395(2) 0.1027(2) 0.288(5) Uiso 0.75 1 d D U P . .
F111 F 0.4902(5) 0.8309(3) 0.1045(3) 0.284(4) Uiso 0.375 1 d D U P . .
F112 F 0.4687(5) 0.8169(3) 0.0971(3) 0.260(4) Uiso 0.375 1 d D U P . .
F113 F 0.4391(5) 0.8629(3) 0.0904(3) 0.260(4) Uiso 0.375 1 d D U P . .
F114 F 0.4457(6) 0.8293(3) 0.1260(2) 0.276(4) Uiso 0.375 1 d D U P . .
F115 F 0.4163(5) 0.8228(3) 0.1176(3) 0.266(4) Uiso 0.375 1 d D U P . .
F116 F 0.4039(5) 0.8324(3) 0.0930(3) 0.279(4) Uiso 0.375 1 d D U P . .
F117 F 0.4494(5) 0.8666(3) 0.1025(3) 0.265(4) Uiso 0.375 1 d D U P . .
F118 F 0.4686(6) 0.8256(3) 0.0813(3) 0.282(4) Uiso 0.375 1 d D U P . .
B12 B 0.2004(4) 0.8908(3) 0.5166(3) 0.314(5) Uiso 0.75 1 d D U P . .
F121 F 0.2418(6) 0.9133(3) 0.5251(3) 0.331(5) Uiso 0.375 1 d D U P . .
F122 F 0.1837(6) 0.8615(3) 0.5107(3) 0.323(5) Uiso 0.375 1 d D U P . .
F123 F 0.1586(5) 0.9040(3) 0.5297(3) 0.304(5) Uiso 0.375 1 d D U P . .
F124 F 0.2453(6) 0.9042(4) 0.5074(3) 0.328(5) Uiso 0.375 1 d D U P . .
F125 F 0.1596(6) 0.8710(3) 0.5051(3) 0.314(5) Uiso 0.375 1 d D U P . .
F126 F 0.2508(5) 0.8913(4) 0.5158(3) 0.323(5) Uiso 0.375 1 d D U P . .
F127 F 0.1835(3) 0.91223(17) 0.53641(14) 0.281(3) Uiso 0.75 1 d D U P . .
B13 B -1.2765(5) -0.4019(2) 0.2182(2) 0.227(4) Uiso 0.5 1 d D U P R 1
F131 F -1.2737(7) -0.3757(3) 0.2108(4) 0.224(4) Uiso 0.25 1 d D U P R 1
F132 F -1.2793(8) -0.3725(3) 0.2194(4) 0.225(4) Uiso 0.25 1 d D U P R 1
F133 F -1.2335(6) -0.3905(4) 0.2104(4) 0.238(4) Uiso 0.25 1 d D U P R 1
F134 F -1.2354(6) -0.4064(4) 0.2326(3) 0.235(4) Uiso 0.25 1 d D U P R 1
F135 F -1.2617(8) -0.4076(4) 0.2421(3) 0.242(4) Uiso 0.25 1 d D U P R 1
F136 F -1.2960(7) -0.3808(4) 0.2317(3) 0.238(4) Uiso 0.25 1 d D U P R 1
F137 F -1.3193(6) -0.4112(4) 0.2242(4) 0.236(4) Uiso 0.25 1 d D U P R 1
F138 F -1.2628(8) -0.4201(4) 0.2366(3) 0.241(4) Uiso 0.25 1 d D U P R 1
B19 B -1.3229(9) -0.4270(6) 0.1797(3) 0.275(6) Uiso 0.25 1 d D U P S 2
F191 F -1.3457(8) -0.4362(5) 0.1578(4) 0.307(7) Uiso 0.25 1 d D U P S 2
F192 F -1.3058(7) -0.4158(4) 0.2030(3) 0.242(6) Uiso 0.25 1 d D U P S 2
F193 F -1.3160(10) -0.4314(6) 0.1540(3) 0.325(7) Uiso 0.25 1 d D U P S 2
F194 F -1.3631(7) -0.4139(5) 0.1684(4) 0.298(7) Uiso 0.25 1 d D U P S 2
B15 B -1.2872(5) -0.4291(2) 0.2983(2) 0.292(5) Uiso 0.75 1 d D U P . .
F151 F -1.2425(5) -0.4130(3) 0.2902(3) 0.282(4) Uiso 0.375 1 d D U P . .
F152 F -1.2544(5) -0.4030(3) 0.2988(3) 0.277(4) Uiso 0.375 1 d D U P . .
F153 F -1.3210(5) -0.4536(3) 0.2919(3) 0.276(5) Uiso 0.375 1 d D U P . .
F154 F -1.2866(6) -0.4488(3) 0.3182(3) 0.285(4) Uiso 0.375 1 d D U P . .
F155 F -1.3256(5) -0.4101(3) 0.2972(3) 0.263(4) Uiso 0.375 1 d D U P . .
F156 F -1.2758(5) -0.4362(3) 0.2727(2) 0.277(4) Uiso 0.375 1 d D U P . .
F157 F -1.3032(6) -0.4005(3) 0.3062(3) 0.281(4) Uiso 0.375 1 d D U P . .
F158 F -1.2716(5) -0.4310(3) 0.3233(2) 0.236(4) Uiso 0.375 1 d D U P . .
B16 B -0.1127(5) 0.3165(2) 0.4080(3) 0.240(5) Uiso 0.5 1 d D U P . .
F161 F -0.1199(9) 0.3441(4) 0.4149(5) 0.276(5) Uiso 0.25 1 d D U P . .
F162 F -0.1570(7) 0.3296(5) 0.4048(5) 0.285(5) Uiso 0.25 1 d D U P . .
F163 F -0.1199(9) 0.3441(4) 0.4149(5) 0.276(5) Uiso 0.25 1 d D U P . .
F164 F -0.1290(9) 0.2968(4) 0.3909(4) 0.278(5) Uiso 0.25 1 d D U P . .
F165 F -0.1290(9) 0.2968(4) 0.3909(4) 0.278(5) Uiso 0.25 1 d D U P . .
F166 F -0.1617(6) 0.3122(5) 0.3984(4) 0.291(5) Uiso 0.25 1 d D U P . .
F167 F -0.1173(9) 0.2903(4) 0.3994(4) 0.280(5) Uiso 0.25 1 d D U P . .
F168 F -0.0988(9) 0.3411(4) 0.4169(4) 0.283(5) Uiso 0.25 1 d D U P . .
O2W O -1.3322(10) -0.5014(6) 0.3138(5) 0.277(12) Uiso 0.25 1 d . . P . .
O3W O -0.2416(3) 0.0753(2) 0.36707(17) 0.175(4) Uiso 0.5 1 d . . P . .
O4W O 0.1742(2) 0.14001(13) 0.07213(11) 0.248(3) Uiso 1 1 d . . . . .
O5W O -1.3230(8) -0.3439(5) 0.2877(4) 0.229(10) Uiso 0.25 1 d . . P . .
O6W O -1.3143(8) -0.3228(5) 0.2880(4) 0.214(10) Uiso 0.25 1 d . . P . .
C800 C -0.4583(11) 0.7138(7) 0.9992(6) 0.410(17) Uiso 0.5 1 d . . P . .
O800 O -0.4828(5) 0.7009(3) 0.9932(3) 0.254(6) Uiso 0.5 1 d . . P . .
C801 C -0.4686(9) 0.6996(5) 0.9755(4) 0.296(11) Uiso 0.5 1 d . . P . .
C802 C -0.5083(8) 0.6882(4) 0.9696(4) 0.271(10) Uiso 0.5 1 d . . P . .
C803 C -0.5377(7) 0.6709(4) 0.9493(4) 0.253(9) Uiso 0.5 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N407 2.108(4) 2 ?
Zn1 N307 2.112(5) 2 ?
Zn1 N501 2.133(5) 2 ?
Zn1 N408 2.137(4) 2 ?
Zn1 N308 2.155(4) 2 ?
Zn1 N502 2.178(4) 2 ?
Zn2 N107 2.087(5) 2 ?
Zn2 N607 2.127(5) 2 ?
Zn2 N108 2.140(5) 2 ?
Zn2 N608 2.149(6) 2 ?
Zn2 N508 2.149(4) 2 ?
Zn2 N507 2.159(4) 2 ?
Zn3 N105 2.030(5) 2 ?
Zn3 N410 2.087(5) 2 ?
Zn3 N505 2.116(5) 2 ?
Zn3 N104 2.171(5) 2 ?
Zn3 N411 2.172(4) 2 ?
Zn3 N504 2.180(5) 2 ?
Zn4 N605 2.113(5) 2 ?
Zn4 N301 2.117(5) 2 ?
Zn4 N207 2.131(6) 2 ?
Zn4 N302 2.149(5) 2 ?
Zn4 N604 2.184(5) 2 ?
Zn4 N208 2.188(4) 2 ?
Zn5 N01A 2.098(10) 2 ?
Zn5 N202 2.103(5) 2 ?
Zn5 N102 2.125(5) 2 ?
Zn5 N404 2.133(5) 2 ?
Zn5 N201 2.149(5) 2 ?
Zn5 N405 2.162(5) 2 ?
Zn5 N101 2.174(10) 2 ?
Zn6 N204 1.984(5) 2 ?
Zn6 N401 2.064(6) 2 ?
Zn6 N205 2.152(5) 2 ?
Zn6 N305 2.191(5) 2 ?
Zn6 N402 2.194(5) 2 ?
Zn6 N304 2.199(5) 2 ?
Zn7 N211 2.012(7) 2 ?
Zn7 N210 2.065(8) 2 ?
Zn7 N611 2.082(6) 2 ?
Zn7 N110 2.102(3) 2 ?
Zn7 N111 2.110(3) 2 ?
Zn7 N610 2.172(7) 2 ?
Zn8 N602 1.970(5) 2 ?
Zn8 N601 1.998(11) 2 ?
Zn8 N510 2.030(6) 2 ?
Zn8 N310 2.038(7) 2 ?
Zn8 N311 2.088(6) 2 ?
Zn8 N511 2.130(6) 2 ?
Zn8 N01F 2.245(11) 2 ?
C11H C10H 1.122(9) . ?
C11H C49A 1.400(12) . ?
C11H C166 1.413(12) . ?
C11H C149 1.607(13) . ?
C11H C66A 1.716(13) . ?
C10H C132 1.573(9) . ?
C10H C115 1.578(9) . ?
C101 N01A 1.431(10) . ?
C101 C02A 1.452(11) . ?
C101 N101 1.459(10) . ?
C101 C102 1.560(12) . ?
N101 C105 1.349(12) . ?
C102 C103 1.419(13) . ?
C103 C104 1.435(13) . ?
C104 C105 1.395(13) . ?
C105 C106 1.371(13) . ?
N01A C05A 1.361(13) . ?
C02A C03A 1.423(13) . ?
C03A C04A 1.420(13) . ?
C04A C05A 1.441(13) . ?
C05A C106 1.500(13) . ?
N102 C106 1.351(8) . ?
N102 C110 1.373(7) . ?
C106 C107 1.329(9) . ?
C107 C108 1.284(9) . ?
C108 C109 1.422(8) . ?
C109 N103 1.381(7) . ?
C109 C110 1.397(8) . ?
O101 C111 1.250(9) . ?
O01A C111 1.419(17) . ?
N103 C111 1.392(8) . ?
C111 C112 1.564(10) . ?
C112 C117 1.247(9) . ?
C112 C113 1.470(9) . ?
C113 C114 1.398(9) . ?
C114 C115 1.386(10) . ?
C115 C116 1.370(10) . ?
C116 C117 1.293(9) . ?
N104 C122 1.221(7) . ?
N104 C118 1.319(7) . ?
C118 C119 1.385(8) . ?
C119 C120 1.355(9) . ?
C120 C121 1.385(9) . ?
C121 C122 1.409(8) . ?
C122 C123 1.375(8) . ?
N105 C123 1.345(6) . ?
N105 C127 1.351(6) . ?
C123 C124 1.405(7) . ?
C127 C126 1.370(7) . ?
C126 N106 1.372(7) . ?
C126 C125 1.391(6) . ?
C125 C124 1.359(7) . ?
O102 C128 1.260(7) . ?
N106 C128 1.359(8) . ?
C128 C129 1.545(9) . ?
C129 C134 1.320(8) . ?
C129 C130 1.381(8) . ?
C130 C131 1.333(8) . ?
C131 C132 1.342(9) . ?
C132 C133 1.403(9) . ?
C133 C134 1.398(9) . ?
N107 C139 1.328(7) . ?
N107 C135 1.395(7) . ?
C135 C136 1.379(8) . ?
C136 C137 1.361(9) . ?
C137 C138 1.374(9) . ?
C138 C139 1.384(8) . ?
C139 C140 1.378(7) . ?
N108 C140 1.311(7) . ?
N108 C144 1.317(6) . ?
C140 C141 1.346(8) . ?
C141 C142 1.385(8) . ?
C142 C143 1.471(8) . ?
C143 C144 1.440(7) . ?
C143 N109 1.484(7) . ?
N109 C45A 1.429(14) . ?
N109 C145 1.658(13) . ?
C151 C51A 1.291(10) . ?
C151 C146 1.356(10) . ?
C151 C47A 1.381(10) . ?
C151 C150 1.530(10) . ?
C151 C45A 1.779(11) . ?
C145 O103 0.905(14) . ?
C145 C146 1.567(12) . ?
C146 C147 1.429(11) . ?
C147 C148 1.419(11) . ?
C148 C149 1.396(12) . ?
C149 C150 1.353(12) . ?
C45A O3AA 1.769(16) . ?
C45A O03A 1.833(16) . ?
O3AA O03A 0.91(2) . ?
C47A C48A 1.435(12) . ?
C48A C49A 1.439(12) . ?
C49A C50A 1.373(11) . ?
C50A C51A 1.385(11) . ?
N110 C152 1.3900 . ?
N110 C156 1.3900 . ?
C152 C153 1.3900 . ?
C153 C154 1.3900 . ?
C154 C155 1.3899 . ?
C155 C156 1.3900 . ?
C156 C157 1.401(4) . ?
N111 C157 1.3900 . ?
N111 C161 1.3900 . ?
C157 C158 1.3900 . ?
C158 C159 1.3900 . ?
C159 C160 1.3900 . ?
C160 C161 1.3900 . ?
C160 N112 1.442(6) . ?
N112 C162 1.396(8) . ?
N112 C62A 1.457(11) . ?
C163 C164 1.366(10) . ?
C163 C63A 1.374(10) . ?
C163 C168 1.382(10) . ?
C163 C67A 1.480(10) . ?
C163 C162 1.630(9) . ?
C162 O104 1.281(9) . ?
C164 C165 1.375(11) . ?
C165 C166 1.414(12) . ?
C166 C167 1.439(11) . ?
C167 C168 1.384(11) . ?
C62A O04A 1.381(11) . ?
C62A C63A 1.750(13) . ?
C63A C64A 1.385(12) . ?
C64A C65A 1.315(12) . ?
C65A C66A 1.417(12) . ?
C66A C67A 1.447(12) . ?
C20G C21G 1.189(8) . ?
C20G C217 1.511(8) . ?
C20G C232 1.606(9) . ?
C21G C249 1.459(8) . ?
C21G C266 1.536(9) . ?
N201 C205 1.379(6) . ?
N201 C01B 1.431(11) . ?
N201 C201 1.488(8) . ?
C205 C204 1.419(9) . ?
C205 C04B 1.423(11) . ?
C205 C206 1.477(8) . ?
C201 C202 1.391(10) . ?
C202 C203 1.325(9) . ?
C203 C204 1.447(9) . ?
C01B C02B 1.404(13) . ?
C02B C03B 1.354(13) . ?
C03B C04B 1.435(13) . ?
N202 C206 1.287(7) . ?
N202 C210 1.344(7) . ?
C206 C207 1.320(7) . ?
C207 C208 1.476(8) . ?
C208 C209 1.365(8) . ?
C209 C210 1.329(7) . ?
C209 N203 1.475(7) . ?
N203 C211 1.295(6) . ?
C211 O201 1.371(8) . ?
C211 C212 1.583(7) . ?
C211 O01B 1.593(11) . ?
O201 O01B 1.269(12) . ?
C212 C213 1.357(8) . ?
C212 C214 1.357(8) . ?
C213 C216 1.479(8) . ?
C214 C215 1.326(8) . ?
C215 C217 1.358(8) . ?
C216 C217 1.372(7) . ?
N204 C218 1.353(7) . ?
N204 C222 1.354(8) . ?
C218 C219 1.321(8) . ?
C219 C220 1.350(8) . ?
C220 C221 1.379(8) . ?
C221 C222 1.315(7) . ?
C222 C223 1.464(9) . ?
N205 C223 1.191(6) . ?
N205 C227 1.304(7) . ?
C223 C224 1.367(9) . ?
C224 C226 1.484(9) . ?
C225 C226 1.322(7) . ?
C225 N206 1.409(7) . ?
C225 C227 1.451(8) . ?
N206 C228 1.234(8) . ?
C228 O202 1.328(8) . ?
C228 C229 1.542(9) . ?
C229 C234 1.247(8) . ?
C229 C230 1.442(8) . ?
C230 C231 1.516(8) . ?
C231 C232 1.408(7) . ?
C232 C233 1.521(8) . ?
C233 C234 1.285(8) . ?
N207 C235 1.321(7) . ?
N207 C239 1.332(7) . ?
N208 C244 1.369(6) . ?
N208 C240 1.387(6) . ?
N209 C245 1.308(6) . ?
N209 C243 1.350(6) . ?
C235 C236 1.378(9) . ?
C236 C237 1.196(9) . ?
C237 C238 1.429(9) . ?
C238 C239 1.392(8) . ?
C239 C240 1.490(7) . ?
C240 C241 1.437(7) . ?
C241 C242 1.416(7) . ?
C242 C243 1.402(7) . ?
C243 C244 1.376(6) . ?
C245 O203 1.252(6) . ?
C245 C246 1.456(7) . ?
C246 C251 1.382(7) . ?
C246 C247 1.407(7) . ?
C247 C248 1.279(7) . ?
C248 C249 1.305(7) . ?
C249 C250 1.401(8) . ?
C250 C251 1.379(7) . ?
N210 C256 1.381(10) . ?
N210 C252 1.406(11) . ?
C252 C253 1.377(12) . ?
C253 C254 1.440(12) . ?
C254 C255 1.465(12) . ?
C255 C256 1.457(11) . ?
C256 C257 1.475(11) . ?
N211 C257 1.303(9) . ?
N211 C261 1.365(9) . ?
C257 C258 1.280(10) . ?
C258 C259 1.425(10) . ?
C259 C260 1.397(9) . ?
C260 C261 1.397(9) . ?
C260 N212 1.495(9) . ?
C262 N212 1.278(8) . ?
C262 O204 1.303(8) . ?
C262 C263 1.545(9) . ?
C263 C268 1.316(8) . ?
C263 C264 1.370(9) . ?
C264 C265 1.535(9) . ?
C265 C266 1.363(9) . ?
C266 C267 1.339(9) . ?
C267 C268 1.346(9) . ?
C30G C31G 1.098(9) . ?
C30G C315 1.555(9) . ?
C30G C332 1.598(9) . ?
C31G C366 1.562(9) . ?
C31G C349 1.606(7) . ?
N301 C301 1.294(7) . ?
N301 C305 1.306(8) . ?
C301 C302 1.388(8) . ?
C302 C303 1.404(8) . ?
C303 C304 1.364(8) . ?
C304 C305 1.357(8) . ?
C305 C306 1.481(9) . ?
N302 C306 1.257(7) . ?
N302 C310 1.328(8) . ?
C306 C307 1.378(9) . ?
C307 C308 1.386(9) . ?
C308 C309 1.369(8) . ?
C309 N303 1.388(8) . ?
C309 C310 1.415(9) . ?
N303 C311 1.337(8) . ?
O301 C311 1.481(8) . ?
C311 C312 1.576(6) . ?
C312 C313 1.333(8) . ?
C312 C317 1.343(8) . ?
C313 C314 1.365(8) . ?
C314 C315 1.306(8) . ?
C315 C316 1.420(8) . ?
C316 C317 1.416(8) . ?
N304 C318 1.252(8) . ?
N304 C322 1.264(8) . ?
C318 C319 1.426(8) . ?
C319 C320 1.354(9) . ?
C320 C321 1.271(9) . ?
C321 C322 1.463(9) . ?
C322 C323 1.500(8) . ?
N305 C327 1.362(7) . ?
N305 C323 1.477(7) . ?
C323 C324 1.353(8) . ?
C324 C325 1.284(8) . ?
C325 C326 1.416(8) . ?
C326 N306 1.313(8) . ?
C326 C327 1.346(8) . ?
N306 C328 1.251(9) . ?
C328 O302 1.481(10) . ?
C328 C329 1.623(10) . ?
C329 C330 1.307(8) . ?
C329 C334 1.465(9) . ?
C330 C331 1.239(8) . ?
C331 C332 1.439(9) . ?
C332 C333 1.341(8) . ?
C333 C334 1.391(8) . ?
N307 C335 1.366(7) . ?
N307 C339 1.401(7) . ?
N308 C340 1.276(6) . ?
N308 C344 1.320(5) . ?
C335 C336 1.393(7) . ?
C336 C337 1.366(9) . ?
C337 C338 1.328(9) . ?
C338 C339 1.416(8) . ?
C339 C340 1.415(7) . ?
C340 C341 1.362(7) . ?
C341 C342 1.409(7) . ?
C342 C343 1.386(7) . ?
C343 N309 1.437(7) . ?
C343 C344 1.451(6) . ?
N309 C345 1.247(7) . ?
O303 C345 1.380(8) . ?
C345 C346 1.538(7) . ?
C346 C347 1.3900 . ?
C346 C351 1.3900 . ?
C347 C348 1.3900 . ?
C348 C349 1.3900 . ?
C349 C350 1.3900 . ?
C350 C351 1.3900 . ?
N310 C356 1.326(9) . ?
N310 C352 1.393(8) . ?
C352 C353 1.374(9) . ?
C353 C354 1.389(9) . ?
C354 C355 1.529(9) . ?
C355 C356 1.391(9) . ?
C356 C357 1.509(10) . ?
N311 C357 1.346(9) . ?
N311 C361 1.370(8) . ?
C357 C358 1.245(9) . ?
C358 C359 1.444(9) . ?
C359 C360 1.499(9) . ?
C360 C361 1.428(9) . ?
C360 N312 1.462(9) . ?
N312 C362 1.343(7) . ?
N312 C62C 1.361(7) . ?
C366 C367 1.320(10) . ?
C366 C365 1.368(10) . ?
C366 C65C 1.380(13) . ?
C366 C67C 1.390(13) . ?
C362 O34' 1.455(12) . ?
C362 O304 1.478(13) . ?
C362 C363 1.660(11) . ?
O304 O34' 0.85(3) . ?
C363 C364 1.347(11) . ?
C363 C368 1.350(11) . ?
C364 C365 1.359(11) . ?
C367 C368 1.444(11) . ?
C62C O4CC 1.468(14) . ?
C62C O04C 1.512(13) . ?
C62C C63C 1.604(14) . ?
O04C O4CC 1.02(3) . ?
C63C C64C 1.379(14) . ?
C63C C68C 1.390(14) . ?
C64C C65C 1.383(15) . ?
C67C C68C 1.461(15) . ?
C40G C41G 1.230(11) . ?
C40G C432 1.549(11) . ?
C40G C415 1.563(10) . ?
C41G C466 1.552(9) . ?
C41G C449 1.580(8) . ?
N407 C435 1.262(6) . ?
N407 C439 1.326(7) . ?
N408 C444 1.325(6) . ?
N408 C440 1.350(6) . ?
N410 C456 1.300(7) . ?
N410 C452 1.399(7) . ?
N411 C457 1.299(6) . ?
N411 C461 1.348(6) . ?
N412 C462 1.319(7) . ?
N412 C460 1.339(7) . ?
N401 C405 1.346(9) . ?
N401 C401 1.499(8) . ?
C401 C402 1.320(10) . ?
C402 C403 1.367(10) . ?
C403 C404 1.367(9) . ?
C404 C405 1.339(8) . ?
C405 C406 1.574(9) . ?
N402 C406 1.317(7) . ?
N402 C409 1.320(6) . ?
C406 C407 1.446(9) . ?
C407 C408 1.272(8) . ?
C408 C410 1.406(8) . ?
C409 C410 1.420(8) . ?
C410 N403 1.457(7) . ?
N403 C411 1.352(8) . ?
C411 O01D 1.006(12) . ?
C411 O401 1.316(9) . ?
C411 C412 1.517(8) . ?
O401 O01D 0.668(15) . ?
C412 C417 1.270(8) . ?
C412 C413 1.329(8) . ?
C413 C414 1.359(8) . ?
C414 C415 1.245(8) . ?
C415 C416 1.414(8) . ?
C416 C417 1.425(8) . ?
N404 C422 1.372(8) . ?
N404 C418 1.420(8) . ?
N405 C427 1.221(6) . ?
N405 C423 1.282(6) . ?
N406 C428 1.215(8) . ?
N406 C426 1.439(8) . ?
C418 C419 1.347(8) . ?
C419 C420 1.422(9) . ?
C420 C421 1.423(8) . ?
C421 C422 1.379(8) . ?
C422 C423 1.410(9) . ?
C423 C424 1.370(8) . ?
C424 C425 1.237(8) . ?
C425 C426 1.421(8) . ?
C426 C427 1.328(8) . ?
O402 O02D 1.031(11) . ?
O402 C428 1.557(10) . ?
O02D C428 1.394(10) . ?
C428 C429 1.788(9) . ?
C429 C430 1.406(8) . ?
C429 C434 1.410(8) . ?
C430 C431 1.502(8) . ?
C431 C432 1.412(9) . ?
C432 C433 1.354(10) . ?
C433 C434 1.355(9) . ?
C435 C436 1.336(7) . ?
C436 C437 1.358(8) . ?
C437 C438 1.282(8) . ?
C438 C439 1.435(8) . ?
C439 C440 1.420(8) . ?
C440 C441 1.429(8) . ?
C441 C442 1.342(8) . ?
C442 C443 1.368(7) . ?
C443 C444 1.360(7) . ?
C443 N409 1.423(7) . ?
N409 C45D 1.395(14) . ?
N409 C445 1.421(8) . ?
C449 C450 1.366(8) . ?
C449 C48D 1.385(7) . ?
C449 C448 1.398(8) . ?
C449 C50D 1.403(7) . ?
C445 O403 1.243(10) . ?
C445 C446 1.610(10) . ?
C446 C447 1.318(9) . ?
C446 C451 1.385(9) . ?
C447 C448 1.437(9) . ?
C450 C451 1.364(9) . ?
C45D C46D 1.619(14) . ?
C45D O3DD 1.667(19) . ?
C45D O03D 1.884(19) . ?
O03D O3DD 0.642(17) . ?
C46D C51D 1.385(8) . ?
C46D C47D 1.394(7) . ?
C47D C48D 1.388(8) . ?
C50D C51D 1.386(8) . ?
C452 C453 1.329(7) . ?
C453 C454 1.468(9) . ?
C454 C455 1.394(8) . ?
C455 C456 1.367(8) . ?
C456 C457 1.530(7) . ?
C457 C458 1.406(7) . ?
C458 C459 1.444(7) . ?
C459 C460 1.369(7) . ?
C460 C461 1.365(7) . ?
C462 O044 1.284(7) . ?
C462 C463 1.533(8) . ?
C463 C464 1.247(7) . ?
C463 C468 1.408(8) . ?
C464 C465 1.308(7) . ?
C465 C466 1.279(8) . ?
C466 C467 1.318(8) . ?
C467 C468 1.462(9) . ?
C50G C50H 1.218(10) . ?
C50G C14E 1.516(14) . ?
C50G C566 1.608(9) . ?
C50G C515 1.662(11) . ?
C50H C532 1.533(10) . ?
C50H C549 1.583(9) . ?
N501 C501 1.266(7) . ?
N501 C505 1.297(6) . ?
C501 C502 1.354(7) . ?
C502 C503 1.323(7) . ?
C503 C504 1.378(7) . ?
C504 C505 1.325(7) . ?
C505 C506 1.469(7) . ?
N502 C506 1.372(6) . ?
N502 C509 1.396(6) . ?
C506 C507 1.371(7) . ?
C507 C508 1.439(7) . ?
C508 C510 1.305(7) . ?
C509 C510 1.321(6) . ?
C510 N503 1.382(6) . ?
N503 C11E 1.406(10) . ?
N503 C511 1.497(9) . ?
C517 C12E 1.307(9) . ?
C517 C16E 1.374(10) . ?
C517 C512 1.398(10) . ?
C517 C516 1.451(11) . ?
C517 C11E 1.737(10) . ?
C511 O51' 1.341(14) . ?
C511 O501 1.397(14) . ?
C511 C512 1.593(11) . ?
O501 O51' 0.981(16) . ?
C512 C513 1.448(11) . ?
C513 C514 1.332(11) . ?
C514 C515 1.460(11) . ?
C515 C516 1.425(12) . ?
C11E O01E 1.150(13) . ?
C11E O1EE 1.603(15) . ?
O01E O1EE 0.607(16) . ?
C12E C13E 1.397(12) . ?
C13E C14E 1.423(14) . ?
C14E C15E 1.415(13) . ?
C15E C16E 1.374(11) . ?
N504 C522 1.374(7) . ?
N504 C518 1.375(7) . ?
N505 C523 1.345(7) . ?
N505 C527 1.346(6) . ?
N506 C526 1.373(6) . ?
N506 C528 1.384(7) . ?
C518 C519 1.229(11) . ?
C519 C520 1.379(12) . ?
C520 C521 1.495(9) . ?
C521 C522 1.446(8) . ?
C522 C523 1.501(7) . ?
C523 C524 1.448(8) . ?
C524 C525 1.381(8) . ?
C525 C526 1.332(7) . ?
C526 C527 1.452(7) . ?
O502 C528 1.312(7) . ?
C528 C529 1.387(8) . ?
C529 C530 1.285(7) . ?
C529 C534 1.409(8) . ?
C530 C531 1.316(7) . ?
C531 C532 1.361(9) . ?
C532 C533 1.396(10) . ?
C533 C534 1.405(8) . ?
N507 C535 1.296(6) . ?
N507 C539 1.348(6) . ?
N508 C544 1.279(6) . ?
N508 C540 1.347(6) . ?
N509 C545 1.372(8) . ?
N509 C543 1.419(7) . ?
C535 C536 1.406(7) . ?
C536 C537 1.320(8) . ?
C537 C538 1.341(8) . ?
C538 C539 1.384(7) . ?
C539 C540 1.510(7) . ?
C540 C541 1.402(7) . ?
C541 C542 1.391(7) . ?
C542 C543 1.381(7) . ?
C543 C544 1.365(7) . ?
C545 O503 1.293(8) . ?
C545 C546 1.523(9) . ?
C546 C551 1.259(8) . ?
C546 C547 1.338(8) . ?
C547 C548 1.289(8) . ?
C548 C549 1.408(9) . ?
C549 C550 1.290(9) . ?
C550 C551 1.379(9) . ?
N510 C556 1.271(8) . ?
N510 C552 1.340(8) . ?
C552 C553 1.384(8) . ?
C553 C554 1.352(9) . ?
C554 C555 1.479(8) . ?
C555 C556 1.410(8) . ?
C556 C557 1.539(9) . ?
N511 C557 1.382(7) . ?
N511 C561 1.392(7) . ?
C557 C558 1.366(7) . ?
C558 C559 1.372(7) . ?
C559 C560 1.459(7) . ?
C560 C561 1.374(8) . ?
C560 N512 1.405(8) . ?
N512 C62E 1.390(11) . ?
N512 C562 1.437(11) . ?
C565 C564 1.348(9) . ?
C565 C566 1.382(8) . ?
C565 C64E 1.528(12) . ?
C566 C567 1.374(9) . ?
C566 C67E 1.415(13) . ?
C562 O504 1.21(2) . ?
C562 O54' 1.39(2) . ?
C562 C563 1.607(8) . ?
O504 O54' 0.68(3) . ?
C563 C564 1.348(10) . ?
C563 C568 1.450(10) . ?
C567 C568 1.420(9) . ?
C62E O04E 1.47(2) . ?
C62E C63E 1.579(8) . ?
C62E O4EE 1.66(2) . ?
C63E C68E 1.431(13) . ?
C63E C64E 1.522(13) . ?
C67E C68E 1.406(14) . ?
C603 C602 1.528(12) . ?
C603 C604 1.625(9) . ?
C603 C02F 1.642(12) . ?
C604 C605 1.509(12) . ?
C604 C05F 1.516(11) . ?
N01F C01F 1.417(13) . ?
N01F C05F 1.460(13) . ?
C01F C02F 1.468(13) . ?
C05F C606 1.752(12) . ?
N601 C601 1.397(13) . ?
N601 C605 1.443(13) . ?
C601 C602 1.487(13) . ?
C605 C606 1.809(12) . ?
N602 C606 1.373(6) . ?
N602 C610 1.399(6) . ?
C606 C607 1.425(6) . ?
C607 C608 1.483(7) . ?
C608 C609 1.393(7) . ?
C609 N603 1.376(8) . ?
C609 C610 1.391(6) . ?
N604 C622 1.305(8) . ?
N604 C618 1.351(7) . ?
C618 C619 1.465(8) . ?
C619 C620 1.256(8) . ?
C620 C621 1.387(8) . ?
C621 C622 1.381(8) . ?
C622 C623 1.483(8) . ?
N605 C627 1.354(8) . ?
N605 C623 1.361(8) . ?
C623 C624 1.310(9) . ?
C624 C625 1.411(8) . ?
C625 C626 1.388(9) . ?
C626 C627 1.318(9) . ?
C626 N606 1.395(8) . ?
O602 C628 1.332(9) . ?
N606 C628 1.242(9) . ?
C628 C629 1.628(9) . ?
C629 C634 1.384(8) . ?
C629 C630 1.390(8) . ?
C630 C631 1.461(8) . ?
C631 C632 1.422(9) . ?
C632 C633 1.357(9) . ?
C632 C60G 1.845(10) . ?
C633 C634 1.518(8) . ?
N607 C639 1.300(8) . ?
N607 C635 1.339(7) . ?
C635 C636 1.390(8) . ?
C636 C637 1.317(8) . ?
C637 C638 1.383(8) . ?
C638 C639 1.385(9) . ?
C639 C640 1.556(9) . ?
N608 C640 1.266(8) . ?
N608 C644 1.327(8) . ?
C640 C641 1.397(9) . ?
C641 C642 1.434(9) . ?
C642 C643 1.402(10) . ?
C643 C644 1.349(9) . ?
C643 N609 1.494(9) . ?
N609 C645 1.397(9) . ?
C645 O63' 1.394(10) . ?
C645 O603 1.404(10) . ?
C645 C646 1.656(10) . ?
O63' O603 1.419(13) . ?
C646 C651 1.343(9) . ?
C646 C647 1.351(8) . ?
C647 C648 1.550(8) . ?
C648 C649 1.282(8) . ?
C649 C650 1.343(8) . ?
C649 C61G 1.584(6) . ?
C650 C651 1.457(9) . ?
N610 C656 1.218(10) . ?
N610 C652 1.352(10) . ?
C652 C653 1.456(11) . ?
C653 C654 1.470(11) . ?
C654 C655 1.557(11) . ?
C655 C656 1.433(11) . ?
C656 C657 1.433(10) . ?
N611 C661 1.331(8) . ?
N611 C657 1.396(8) . ?
C657 C658 1.422(9) . ?
C658 C659 1.417(9) . ?
C659 C660 1.526(9) . ?
C660 C661 1.393(9) . ?
C660 N612 1.467(9) . ?
N612 C662 1.663(11) . ?
N612 C62F 1.776(16) . ?
C664 C663 1.289(9) . ?
C664 C65F 1.290(13) . ?
C664 C63F 1.379(12) . ?
C664 C665 1.439(9) . ?
C664 C62F 1.575(8) . ?
C662 O604 1.214(12) . ?
C662 O64' 1.222(12) . ?
C662 C663 1.520(8) . ?
C663 C668 1.394(11) . ?
C665 C666 1.397(10) . ?
C666 C667 1.384(11) . ?
C666 C61G 1.580(7) . ?
C667 C668 1.375(11) . ?
O64' O604 0.75(2) . ?
C62F O04F 1.319(12) . ?
C63F C68F 1.383(14) . ?
C65F C66F 1.376(14) . ?
C66F C67F 1.439(14) . ?
C67F C68F 1.395(14) . ?
C67F C61G 1.545(7) . ?
C60G C61G 1.246(6) . ?
C60G C615 1.456(8) . ?
N603 C611 1.586(13) . ?
N603 C11F 1.626(12) . ?
C615 C16F 1.237(11) . ?
C615 C614 1.379(7) . ?
C615 C616 1.397(7) . ?
C615 C14F 1.422(11) . ?
C611 O61' 1.17(2) . ?
C611 O601 1.31(2) . ?
C611 C612 1.612(12) . ?
O61' O601 0.80(3) . ?
C612 C613 1.401(8) . ?
C612 C617 1.411(7) . ?
C613 C614 1.385(8) . ?
C616 C617 1.415(7) . ?
C11F O01F 1.281(15) . ?
C11F C12F 1.615(13) . ?
C12F C17F 1.379(13) . ?
C12F C13F 1.409(12) . ?
C13F C14F 1.422(12) . ?
C16F C17F 1.451(13) . ?
B1 F12 1.411(9) . ?
B1 F14 1.448(9) . ?
B1 F11 1.456(9) . ?
B1 F13 1.466(9) . ?
B2 F25 1.266(11) . ?
B2 F27 1.267(11) . ?
B2 F24 1.279(10) . ?
B2 F22 1.392(11) . ?
B2 F28 1.431(11) . ?
B2 F26 1.469(11) . ?
B2 F23 1.514(11) . ?
B2 F21 1.587(11) . ?
F21 F28 0.639(11) . ?
F22 F27 0.663(13) . ?
F23 F25 1.293(11) . ?
F24 F26 0.978(12) . ?
F24 F25 1.365(10) . ?
B3 F38 1.261(11) . ?
B3 F31 1.307(11) . ?
B3 F37 1.340(11) . ?
B3 F34 1.378(11) . ?
B3 F35 1.422(12) . ?
B3 F33 1.437(11) . ?
B3 F36 1.462(11) . ?
B3 F32 1.501(11) . ?
F31 F32 0.765(12) . ?
F31 F37 1.639(10) . ?
F33 F34 1.199(11) . ?
F33 F38 1.467(11) . ?
F34 F35 1.245(12) . ?
F35 F37 1.227(12) . ?
F36 F38 0.896(11) . ?
B4 F47 1.249(11) . ?
B4 F48 1.249(11) . ?
B4 F45 1.365(11) . ?
B4 F44 1.384(11) . ?
B4 F43 1.405(11) . ?
B4 F41 1.456(12) . ?
B4 F42 1.578(11) . ?
B4 F46 1.655(13) . ?
F41 F47 1.534(12) . ?
F41 F44 1.601(12) . ?
F41 F48 1.714(12) . ?
F42 F47 0.952(11) . ?
F43 F48 0.985(10) . ?
F44 F45 1.087(11) . ?
F45 F46 1.520(12) . ?
B5 F55 1.338(13) . ?
B5 F51 1.376(13) . ?
B5 F56 1.550(14) . ?
B5 F53 1.673(14) . ?
B5 F57 1.674(13) . ?
B5 F54 1.681(13) . ?
B5 F52 1.736(13) . ?
F51 F57 1.522(14) . ?
F53 F56 0.875(17) . ?
F54 F55 0.630(16) . ?
B6 F65 1.279(13) . ?
B6 F62 1.296(13) . ?
B6 F66 1.365(13) . ?
B6 F67 1.394(13) . ?
B6 F68 1.446(13) . ?
B6 F63 1.469(12) . ?
B6 F61 1.505(13) . ?
B6 F64 1.515(14) . ?
F61 F62 1.427(14) . ?
F62 F65 1.229(14) . ?
F63 F67 1.156(14) . ?
F64 F66 1.586(15) . ?
F64 F65 1.612(15) . ?
F64 F67 1.729(15) . ?
F65 F67 1.605(14) . ?
F66 F68 0.989(15) . ?
B7 F74 1.158(15) . ?
B7 F72 1.226(14) . ?
B7 F73 1.307(15) . ?
B7 F71 1.319(15) . ?
B8 F88 1.37(2) . ?
B8 F86 1.39(2) . ?
B8 F83 1.39(2) . ?
B8 F84 1.42(2) . ?
B8 F81 1.43(2) . ?
B8 F85 1.474(19) . ?
B8 F82 1.474(19) . ?
B8 F87 1.48(2) . ?
F82 F88 1.49(3) . ?
F83 F84 1.71(3) . ?
F84 F87 0.61(4) . ?
F84 F86 1.71(3) . ?
F85 F88 1.49(3) . ?
B9 F95 1.30(2) . ?
B9 F96 1.36(2) . ?
B9 F91 1.364(16) . ?
B9 F92 1.441(17) . ?
B9 F94 1.45(2) . ?
B9 F93 1.475(19) . ?
F91 F92 1.265(17) . ?
F92 F93 1.45(2) . ?
F92 F94 1.63(2) . ?
F93 F95 1.27(3) . ?
F93 F94 1.45(3) . ?
F94 F96 1.03(3) . ?
B10 F107 1.292(15) . ?
B10 F104 1.294(14) . ?
B10 F105 1.372(15) . ?
B10 F103 1.400(15) . ?
B10 F101 1.427(15) . ?
B10 F106 1.470(15) . ?
B10 F108 1.482(15) . ?
B10 F102 1.497(15) . ?
F101 F105 0.84(2) . ?
F101 F102 1.612(18) . ?
F103 F107 1.066(18) . ?
F104 F108 1.574(17) . ?
F105 F106 1.566(18) . ?
F106 F107 1.244(18) . ?
F106 F108 1.598(17) . ?
B11 F111 1.293(16) . ?
B11 F116 1.302(16) . ?
B11 F112 1.306(16) . ?
B11 F117 1.321(15) . ?
B11 F113 1.333(16) . ?
B11 F114 1.373(16) . ?
B11 F115 1.421(16) . ?
B11 F118 1.509(17) . ?
F111 F112 0.98(2) . ?
F111 F118 1.42(2) . ?
F111 F114 1.73(2) . ?
F112 F118 0.97(2) . ?
F113 F117 0.74(2) . ?
F113 F116 1.777(19) . ?
F114 F115 0.97(2) . ?
F115 F116 1.461(19) . ?
B12 F126 1.390(16) . ?
B12 F124 1.499(17) . ?
B12 F123 1.517(17) . ?
B12 F122 1.526(17) . ?
B12 F127 1.587(14) . ?
B12 F125 1.594(17) . ?
B12 F121 1.639(17) . ?
F121 F124 1.08(3) . ?
F121 F126 1.21(2) . ?
F121 F127 1.736(18) . ?
F122 F125 0.86(2) . ?
F123 F127 0.868(18) . ?
F124 F126 0.79(3) . ?
B13 F137 1.314(18) . ?
B13 F131 1.339(18) . ?
B13 F134 1.382(18) . ?
B13 F133 1.385(18) . ?
B13 F136 1.384(19) . ?
B13 F138 1.391(19) . ?
B13 F135 1.399(19) . ?
B13 F132 1.429(18) . ?
F131 F132 0.52(3) . ?
F131 F133 1.32(2) . ?
F131 F136 1.34(3) . ?
F132 F136 0.92(3) . ?
F132 F133 1.62(2) . ?
F133 F134 1.45(3) . ?
F134 F135 0.91(3) . ?
F134 F138 1.03(3) . ?
F135 F138 0.68(3) . ?
F135 F136 1.70(3) . ?
F136 F137 1.66(2) . ?
F137 F138 1.73(2) . ?
B19 F194 1.40(2) . ?
B19 F191 1.41(2) . ?
B19 F193 1.45(2) . ?
B19 F192 1.46(2) . ?
F191 F193 0.88(4) . ?
F191 F194 1.32(3) . ?
F193 F194 1.75(3) . ?
B15 F155 1.401(16) . ?
B15 F158 1.431(15) . ?
B15 F154 1.454(16) . ?
B15 F156 1.495(16) . ?
B15 F157 1.523(16) . ?
B15 F151 1.535(16) . ?
B15 F153 1.548(15) . ?
B15 F152 1.555(16) . ?
F151 F152 0.76(2) . ?
F151 F156 1.73(2) . ?
F152 F157 1.42(2) . ?
F153 F154 1.726(19) . ?
F154 F158 0.99(2) . ?
F155 F157 0.91(2) . ?
B16 F168 1.341(19) . ?
B16 F167 1.363(19) . ?
B16 F162 1.383(19) . ?
B16 F165 1.41(2) . ?
B16 F164 1.41(2) . ?
B16 F161 1.409(19) . ?
B16 F163 1.409(19) . ?
B16 F166 1.449(19) . ?
F161 F168 0.61(4) . ?
F161 F162 1.35(3) . ?
F162 F166 0.92(3) . ?
F162 F163 1.35(3) . ?
F163 F168 0.61(4) . ?
F164 F167 0.64(3) . ?
F164 F166 1.25(3) . ?
F165 F167 0.64(3) . ?
F165 F166 1.25(3) . ?
F166 F167 1.62(3) . ?
O5W O6W 1.05(3) . ?
C800 O800 0.97(3) . ?
C800 C801 1.50(4) . ?
O800 C801 1.06(3) . ?
O800 C802 1.58(2) . ?
C801 C802 1.26(3) . ?
C802 C803 1.60(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N407 Zn1 N307 98.19(13) 2 2 ?
N407 Zn1 N501 96.26(18) 2 2 ?
N307 Zn1 N501 96.92(13) 2 2 ?
N407 Zn1 N408 76.70(17) 2 2 ?
N307 Zn1 N408 93.21(13) 2 2 ?
N501 Zn1 N408 168.42(16) 2 2 ?
N407 Zn1 N308 169.42(13) 2 2 ?
N307 Zn1 N308 74.96(16) 2 2 ?
N501 Zn1 N308 92.62(12) 2 2 ?
N408 Zn1 N308 95.41(11) 2 2 ?
N407 Zn1 N502 95.34(16) 2 2 ?
N307 Zn1 N502 165.16(13) 2 2 ?
N501 Zn1 N502 75.48(16) 2 2 ?
N408 Zn1 N502 95.82(15) 2 2 ?
N308 Zn1 N502 92.45(10) 2 2 ?
N107 Zn2 N607 100.37(14) 2 2 ?
N107 Zn2 N108 75.00(17) 2 2 ?
N607 Zn2 N108 169.28(14) 2 2 ?
N107 Zn2 N608 93.70(14) 2 2 ?
N607 Zn2 N608 76.4(2) 2 2 ?
N108 Zn2 N608 94.09(15) 2 2 ?
N107 Zn2 N508 169.37(14) 2 2 ?
N607 Zn2 N508 88.19(17) 2 2 ?
N108 Zn2 N508 97.59(12) 2 2 ?
N608 Zn2 N508 94.43(18) 2 2 ?
N107 Zn2 N507 94.14(13) 2 2 ?
N607 Zn2 N507 97.16(19) 2 2 ?
N108 Zn2 N507 92.85(12) 2 2 ?
N608 Zn2 N507 170.65(19) 2 2 ?
N508 Zn2 N507 78.43(16) 2 2 ?
N105 Zn3 N410 95.36(14) 2 2 ?
N105 Zn3 N505 95.28(13) 2 2 ?
N410 Zn3 N505 167.77(17) 2 2 ?
N105 Zn3 N104 74.71(18) 2 2 ?
N410 Zn3 N104 97.43(14) 2 2 ?
N505 Zn3 N104 91.17(14) 2 2 ?
N105 Zn3 N411 95.11(12) 2 2 ?
N410 Zn3 N411 78.24(17) 2 2 ?
N505 Zn3 N411 94.82(17) 2 2 ?
N104 Zn3 N411 168.65(15) 2 2 ?
N105 Zn3 N504 168.22(13) 2 2 ?
N410 Zn3 N504 91.20(19) 2 2 ?
N505 Zn3 N504 79.39(18) 2 2 ?
N104 Zn3 N504 94.78(14) 2 2 ?
N411 Zn3 N504 95.79(17) 2 2 ?
N605 Zn4 N301 98.11(16) 2 2 ?
N605 Zn4 N207 164.47(14) 2 2 ?
N301 Zn4 N207 94.9(2) 2 2 ?
N605 Zn4 N302 98.85(16) 2 2 ?
N301 Zn4 N302 74.4(2) 2 2 ?
N207 Zn4 N302 92.8(2) 2 2 ?
N605 Zn4 N604 73.9(2) 2 2 ?
N301 Zn4 N604 96.44(15) 2 2 ?
N207 Zn4 N604 96.27(14) 2 2 ?
N302 Zn4 N604 167.67(16) 2 2 ?
N605 Zn4 N208 92.40(14) 2 2 ?
N301 Zn4 N208 164.7(2) 2 2 ?
N207 Zn4 N208 76.64(17) 2 2 ?
N302 Zn4 N208 93.06(17) 2 2 ?
N604 Zn4 N208 97.17(12) 2 2 ?
N202 Zn5 N102 95.21(18) 2 2 ?
N202 Zn5 N404 95.86(13) 2 2 ?
N102 Zn5 N404 166.95(14) 2 2 ?
N202 Zn5 N201 75.75(19) 2 2 ?
N102 Zn5 N201 96.2(2) 2 2 ?
N404 Zn5 N201 93.25(16) 2 2 ?
N202 Zn5 N405 95.32(14) 2 2 ?
N102 Zn5 N405 97.36(14) 2 2 ?
N404 Zn5 N405 74.76(19) 2 2 ?
N201 Zn5 N405 164.43(14) 2 2 ?
N202 Zn5 N101 168.0(3) 2 2 ?
N102 Zn5 N101 72.9(3) 2 2 ?
N404 Zn5 N101 95.7(3) 2 2 ?
N201 Zn5 N101 106.8(3) 2 2 ?
N405 Zn5 N101 84.6(3) 2 2 ?
N204 Zn6 N401 95.2(2) 2 2 ?
N204 Zn6 N205 75.46(19) 2 2 ?
N401 Zn6 N205 168.06(19) 2 2 ?
N204 Zn6 N305 167.3(2) 2 2 ?
N401 Zn6 N305 95.7(2) 2 2 ?
N205 Zn6 N305 94.53(17) 2 2 ?
N204 Zn6 N402 94.74(14) 2 2 ?
N401 Zn6 N402 79.78(19) 2 2 ?
N205 Zn6 N402 93.39(12) 2 2 ?
N305 Zn6 N402 93.56(14) 2 2 ?
N204 Zn6 N304 96.6(2) 2 2 ?
N401 Zn6 N304 92.80(15) 2 2 ?
N205 Zn6 N304 95.65(19) 2 2 ?
N305 Zn6 N304 76.4(2) 2 2 ?
N402 Zn6 N304 166.98(15) 2 2 ?
N211 Zn7 N210 74.1(3) 2 2 ?
N211 Zn7 N611 94.38(19) 2 2 ?
N210 Zn7 N611 92.0(2) 2 2 ?
N211 Zn7 N110 89.8(2) 2 2 ?
N210 Zn7 N110 95.4(2) 2 2 ?
N611 Zn7 N110 172.31(18) 2 2 ?
N211 Zn7 N111 97.3(2) 2 2 ?
N210 Zn7 N111 168.9(2) 2 2 ?
N611 Zn7 N111 95.75(18) 2 2 ?
N110 Zn7 N111 77.28(13) 2 2 ?
N211 Zn7 N610 167.18(19) 2 2 ?
N210 Zn7 N610 95.3(2) 2 2 ?
N611 Zn7 N610 78.6(2) 2 2 ?
N110 Zn7 N610 98.48(18) 2 2 ?
N111 Zn7 N610 94.05(18) 2 2 ?
N602 Zn8 N601 78.6(4) 2 2 ?
N602 Zn8 N510 92.6(2) 2 2 ?
N601 Zn8 N510 75.9(4) 2 2 ?
N602 Zn8 N310 167.9(2) 2 2 ?
N601 Zn8 N310 97.6(3) 2 2 ?
N510 Zn8 N310 97.66(19) 2 2 ?
N602 Zn8 N311 95.22(18) 2 2 ?
N601 Zn8 N311 113.9(3) 2 2 ?
N510 Zn8 N311 168.49(19) 2 2 ?
N310 Zn8 N311 75.6(3) 2 2 ?
N602 Zn8 N511 91.7(2) 2 2 ?
N601 Zn8 N511 149.4(4) 2 2 ?
N510 Zn8 N511 75.5(2) 2 2 ?
N310 Zn8 N511 97.1(2) 2 2 ?
N311 Zn8 N511 95.78(18) 2 2 ?
N602 Zn8 N01F 75.7(3) 2 2 ?
N601 Zn8 N01F 29.3(4) 2 2 ?
N510 Zn8 N01F 105.2(3) 2 2 ?
N310 Zn8 N01F 95.3(3) 2 2 ?
N311 Zn8 N01F 84.9(3) 2 2 ?
N511 Zn8 N01F 167.4(3) 2 2 ?
C10H C11H C49A 122.2(9) . . ?
C10H C11H C166 123.0(9) . . ?
C10H C11H C149 124.0(9) . . ?
C166 C11H C149 112.7(8) . . ?
C10H C11H C66A 123.4(8) . . ?
C49A C11H C66A 114.0(8) . . ?
C11H C10H C132 128.1(8) . . ?
C11H C10H C115 119.7(8) . . ?
C132 C10H C115 112.1(6) . . ?
N01A C101 C02A 125.9(8) . . ?
N101 C101 C102 104.7(8) . . ?
C105 N101 C101 122.6(9) . . ?
C105 N101 Zn5 118.3(8) . 2_545 ?
C101 N101 Zn5 118.2(6) . 2_545 ?
C103 C102 C101 118.4(10) . . ?
C102 C103 C104 119.4(11) . . ?
C105 C104 C103 116.5(11) . . ?
N101 C105 C106 110.0(10) . . ?
N101 C105 C104 122.0(11) . . ?
C106 C105 C104 126.6(10) . . ?
C05A N01A C101 108.3(9) . . ?
C101 N01A Zn5 124.5(7) . 2_545 ?
C03A C02A C101 106.7(9) . . ?
C04A C03A C02A 114.4(12) . . ?
C03A C04A C05A 103.5(11) . . ?
N01A C05A C04A 117.7(11) . . ?
N01A C05A C106 110.0(9) . . ?
C04A C05A C106 128.1(10) . . ?
C106 N102 C110 119.0(6) . . ?
C106 N102 Zn5 114.6(4) . 2_545 ?
C110 N102 Zn5 126.3(4) . 2_545 ?
C107 C106 N102 116.2(7) . . ?
C107 C106 C105 123.1(8) . . ?
N102 C106 C105 119.4(7) . . ?
C107 C106 C05A 123.1(8) . . ?
N102 C106 C05A 118.3(7) . . ?
C108 C107 C106 127.9(8) . . ?
C107 C108 C109 118.7(7) . . ?
N103 C109 C110 116.5(6) . . ?
N103 C109 C108 130.1(6) . . ?
C110 C109 C108 112.8(6) . . ?
N102 C110 C109 123.7(6) . . ?
C109 N103 C111 128.2(6) . . ?
O101 C111 N103 121.6(7) . . ?
O101 C111 O01A 17.2(8) . . ?
N103 C111 O01A 107.6(9) . . ?
O101 C111 C112 126.8(7) . . ?
N103 C111 C112 111.3(6) . . ?
O01A C111 C112 137.9(9) . . ?
C117 C112 C113 118.1(7) . . ?
C117 C112 C111 139.6(7) . . ?
C113 C112 C111 102.0(6) . . ?
C114 C113 C112 112.2(7) . . ?
C115 C114 C113 120.9(7) . . ?
C116 C115 C114 123.4(7) . . ?
C116 C115 C10H 125.7(7) . . ?
C114 C115 C10H 110.8(7) . . ?
C117 C116 C115 110.9(7) . . ?
C112 C117 C116 133.6(8) . . ?
C122 N104 C118 123.8(6) . . ?
C122 N104 Zn3 114.5(4) . 2_545 ?
C118 N104 Zn3 121.2(4) . 2_545 ?
N104 C118 C119 119.2(6) . . ?
C120 C119 C118 118.8(7) . . ?
C119 C120 C121 119.5(6) . . ?
C120 C121 C122 116.3(6) . . ?
N104 C122 C123 118.5(6) . . ?
N104 C122 C121 122.1(6) . . ?
C123 C122 C121 119.3(6) . . ?
C123 N105 C127 117.1(5) . . ?
C123 N105 Zn3 116.1(4) . 2_545 ?
C127 N105 Zn3 126.6(3) . 2_545 ?
N105 C123 C122 115.9(5) . . ?
N105 C123 C124 118.3(6) . . ?
C122 C123 C124 125.7(6) . . ?
N105 C127 C126 124.9(5) . . ?
C127 C126 N106 117.0(5) . . ?
C127 C126 C125 119.8(5) . . ?
N106 C126 C125 123.1(5) . . ?
C124 C125 C126 114.1(5) . . ?
C125 C124 C123 125.7(5) . . ?
C128 N106 C126 134.2(5) . . ?
O102 C128 N106 120.5(6) . . ?
O102 C128 C129 116.7(6) . . ?
N106 C128 C129 122.8(6) . . ?
C134 C129 C130 118.8(7) . . ?
C134 C129 C128 121.4(7) . . ?
C130 C129 C128 119.7(6) . . ?
C131 C130 C129 124.3(7) . . ?
C130 C131 C132 115.5(7) . . ?
C131 C132 C133 123.6(6) . . ?
C131 C132 C10H 122.1(6) . . ?
C133 C132 C10H 114.2(6) . . ?
C134 C133 C132 116.1(6) . . ?
C129 C134 C133 120.8(7) . . ?
C139 N107 C135 113.0(5) . . ?
C139 N107 Zn2 117.2(4) . 2_545 ?
C135 N107 Zn2 129.8(4) . 2_545 ?
C136 C135 N107 125.6(6) . . ?
C137 C136 C135 120.1(6) . . ?
C136 C137 C138 113.9(7) . . ?
C137 C138 C139 124.9(7) . . ?
N107 C139 C140 114.8(6) . . ?
N107 C139 C138 122.1(6) . . ?
C140 C139 C138 123.0(6) . . ?
C140 N108 C144 125.0(5) . . ?
C140 N108 Zn2 113.6(4) . 2_545 ?
C144 N108 Zn2 121.3(4) . 2_545 ?
N108 C140 C141 116.7(6) . . ?
N108 C140 C139 119.0(6) . . ?
C141 C140 C139 124.3(6) . . ?
C140 C141 C142 121.8(7) . . ?
C141 C142 C143 123.4(6) . . ?
C144 C143 C142 107.5(6) . . ?
C144 C143 N109 122.6(5) . . ?
C142 C143 N109 129.9(5) . . ?
N108 C144 C143 125.4(5) . . ?
C45A N109 C143 123.0(7) . . ?
C143 N109 C145 113.6(6) . . ?
C51A C151 C47A 135.5(8) . . ?
C146 C151 C150 122.0(7) . . ?
C51A C151 C45A 105.4(7) . . ?
C47A C151 C45A 118.9(7) . . ?
O103 C145 C146 145.7(14) . . ?
O103 C145 N109 132.1(12) . . ?
C146 C145 N109 82.2(7) . . ?
C151 C146 C147 113.5(8) . . ?
C151 C146 C145 136.9(9) . . ?
C147 C146 C145 107.7(9) . . ?
C148 C147 C146 124.9(9) . . ?
C149 C148 C147 120.7(10) . . ?
C150 C149 C148 117.2(10) . . ?
C150 C149 C11H 125.3(9) . . ?
C148 C149 C11H 116.9(8) . . ?
C149 C150 C151 121.1(9) . . ?
N109 C45A O3AA 126.1(9) . . ?
N109 C45A C151 101.3(8) . . ?
O3AA C45A C151 129.8(10) . . ?
N109 C45A O03A 131.8(9) . . ?
O3AA C45A O03A 29.3(7) . . ?
C151 C45A O03A 124.0(9) . . ?
O03A O3AA C45A 79.2(10) . . ?
O3AA O03A C45A 71.5(9) . . ?
C151 C47A C48A 108.3(8) . . ?
C47A C48A C49A 124.9(10) . . ?
C50A C49A C11H 107.4(9) . . ?
C50A C49A C48A 110.2(9) . . ?
C11H C49A C48A 142.3(9) . . ?
C49A C50A C51A 130.6(10) . . ?
C151 C51A C50A 108.9(9) . . ?
C152 N110 C156 120.0 . . ?
C152 N110 Zn7 126.46(18) . 2_545 ?
C156 N110 Zn7 113.40(18) . 2_545 ?
N110 C152 C153 120.0 . . ?
C154 C153 C152 120.0 . . ?
C153 C154 C155 120.0 . . ?
C156 C155 C154 120.0 . . ?
C155 C156 N110 120.0 . . ?
C155 C156 C157 121.1(3) . . ?
N110 C156 C157 118.8(3) . . ?
C157 N111 C161 120.0 . . ?
C157 N111 Zn7 115.73(16) . 2_545 ?
C161 N111 Zn7 122.12(16) . 2_545 ?
N111 C157 C158 120.0 . . ?
N111 C157 C156 112.9(3) . . ?
C158 C157 C156 127.1(3) . . ?
C159 C158 C157 120.0 . . ?
C158 C159 C160 120.0 . . ?
C161 C160 C159 120.0 . . ?
C161 C160 N112 120.4(3) . . ?
C159 C160 N112 119.5(3) . . ?
C160 C161 N111 120.0 . . ?
C162 N112 C160 129.7(6) . . ?
C160 N112 C62A 113.1(7) . . ?
C164 C163 C168 124.8(7) . . ?
C63A C163 C67A 118.5(7) . . ?
C164 C163 C162 120.6(6) . . ?
C168 C163 C162 114.3(6) . . ?
O104 C162 N112 123.1(8) . . ?
O104 C162 C163 118.7(7) . . ?
N112 C162 C163 118.1(6) . . ?
C163 C164 C165 116.2(9) . . ?
C164 C165 C166 118.6(10) . . ?
C11H C166 C165 116.6(9) . . ?
C11H C166 C167 125.2(9) . . ?
C165 C166 C167 117.9(10) . . ?
C168 C167 C166 120.6(9) . . ?
C163 C168 C167 116.1(9) . . ?
O04A C62A N112 151.6(12) . . ?
O04A C62A C63A 120.4(10) . . ?
N112 C62A C63A 88.1(6) . . ?
C163 C63A C64A 119.1(9) . . ?
C163 C63A C62A 126.8(8) . . ?
C64A C63A C62A 114.0(9) . . ?
C65A C64A C63A 126.8(10) . . ?
C64A C65A C66A 115.5(10) . . ?
C65A C66A C67A 121.3(10) . . ?
C65A C66A C11H 105.8(8) . . ?
C67A C66A C11H 132.1(9) . . ?
C66A C67A C163 116.1(9) . . ?
C21G C20G C217 140.7(7) . . ?
C21G C20G C232 111.9(7) . . ?
C217 C20G C232 107.3(5) . . ?
C20G C21G C249 135.2(8) . . ?
C20G C21G C266 108.3(7) . . ?
C249 C21G C266 116.4(6) . . ?
C205 N201 C01B 129.6(7) . . ?
C205 N201 C201 113.6(5) . . ?
C205 N201 Zn5 115.0(4) . 2_545 ?
C201 N201 Zn5 127.8(4) . 2_545 ?
N201 C205 C204 124.1(6) . . ?
N201 C205 C04B 106.8(7) . . ?
N201 C205 C206 113.0(5) . . ?
C204 C205 C206 122.3(6) . . ?
C04B C205 C206 126.0(7) . . ?
C202 C201 N201 125.1(7) . . ?
C203 C202 C201 115.9(8) . . ?
C202 C203 C204 125.7(8) . . ?
C205 C204 C203 115.7(7) . . ?
C02B C01B N201 109.1(10) . . ?
C03B C02B C01B 129.0(12) . . ?
C02B C03B C04B 111.6(11) . . ?
C205 C04B C03B 123.5(11) . . ?
C206 N202 C210 114.1(5) . . ?
C206 N202 Zn5 118.3(4) . 2_545 ?
C210 N202 Zn5 126.7(4) . 2_545 ?
N202 C206 C207 128.5(6) . . ?
N202 C206 C205 116.6(5) . . ?
C207 C206 C205 114.8(6) . . ?
C206 C207 C208 115.5(6) . . ?
C209 C208 C207 116.8(6) . . ?
C210 C209 C208 118.2(6) . . ?
C210 C209 N203 120.1(6) . . ?
C208 C209 N203 121.5(6) . . ?
C209 C210 N202 126.5(6) . . ?
C211 N203 C209 126.1(5) . . ?
N203 C211 O201 127.1(6) . . ?
N203 C211 C212 116.0(5) . . ?
O201 C211 C212 115.0(5) . . ?
N203 C211 O01B 120.9(6) . . ?
O201 C211 O01B 50.0(5) . . ?
C212 C211 O01B 109.0(6) . . ?
O01B O201 C211 74.1(6) . . ?
O201 O01B C211 55.8(5) . . ?
C213 C212 C214 120.8(6) . . ?
C213 C212 C211 115.7(5) . . ?
C214 C212 C211 123.5(6) . . ?
C212 C213 C216 114.4(6) . . ?
C215 C214 C212 128.6(7) . . ?
C214 C215 C217 111.4(6) . . ?
C217 C216 C213 117.6(6) . . ?
C215 C217 C216 127.1(6) . . ?
C215 C217 C20G 109.0(5) . . ?
C216 C217 C20G 123.9(6) . . ?
C218 N204 C222 107.7(5) . . ?
C218 N204 Zn6 129.1(4) . 2_545 ?
C222 N204 Zn6 122.7(4) . 2_545 ?
C219 C218 N204 135.0(7) . . ?
C218 C219 C220 107.8(6) . . ?
C219 C220 C221 127.0(7) . . ?
C222 C221 C220 113.8(7) . . ?
C221 C222 N204 128.0(7) . . ?
C221 C222 C223 127.6(7) . . ?
N204 C222 C223 104.0(5) . . ?
C223 N205 C227 122.9(6) . . ?
C223 N205 Zn6 110.3(5) . 2_545 ?
C227 N205 Zn6 126.3(4) . 2_545 ?
N205 C223 C224 124.8(7) . . ?
N205 C223 C222 126.2(7) . . ?
C224 C223 C222 108.7(5) . . ?
C223 C224 C226 115.1(6) . . ?
C226 C225 N206 125.1(6) . . ?
C226 C225 C227 115.0(6) . . ?
N206 C225 C227 119.9(5) . . ?
C225 C226 C224 120.1(7) . . ?
N205 C227 C225 122.0(5) . . ?
C228 N206 C225 129.3(6) . . ?
N206 C228 O202 125.0(8) . . ?
N206 C228 C229 127.7(7) . . ?
O202 C228 C229 107.2(6) . . ?
C234 C229 C230 117.9(6) . . ?
C234 C229 C228 130.9(7) . . ?
C230 C229 C228 111.2(5) . . ?
C229 C230 C231 119.2(5) . . ?
C232 C231 C230 117.7(6) . . ?
C231 C232 C233 114.7(6) . . ?
C231 C232 C20G 119.7(6) . . ?
C233 C232 C20G 125.2(5) . . ?
C234 C233 C232 120.5(6) . . ?
C229 C234 C233 129.5(7) . . ?
C235 N207 C239 115.4(6) . . ?
C235 N207 Zn4 127.3(4) . 2_545 ?
C239 N207 Zn4 117.3(4) . 2_545 ?
C244 N208 C240 119.4(5) . . ?
C244 N208 Zn4 126.2(4) . 2_545 ?
C240 N208 Zn4 114.1(3) . 2_545 ?
C245 N209 C243 130.7(5) . . ?
N207 C235 C236 117.9(6) . . ?
C237 C236 C235 132.5(8) . . ?
C236 C237 C238 112.0(8) . . ?
C239 C238 C237 118.3(7) . . ?
N207 C239 C238 124.0(6) . . ?
N207 C239 C240 116.7(6) . . ?
C238 C239 C240 119.3(6) . . ?
N208 C240 C241 118.7(5) . . ?
N208 C240 C239 115.1(5) . . ?
C241 C240 C239 126.1(5) . . ?
C242 C241 C240 119.0(6) . . ?
C243 C242 C241 121.1(5) . . ?
N209 C243 C244 120.5(5) . . ?
N209 C243 C242 122.8(5) . . ?
C244 C243 C242 116.7(5) . . ?
N208 C244 C243 124.9(5) . . ?
O203 C245 N209 117.1(5) . . ?
O203 C245 C246 122.1(5) . . ?
N209 C245 C246 120.8(5) . . ?
C251 C246 C247 115.6(5) . . ?
C251 C246 C245 117.8(5) . . ?
C247 C246 C245 126.5(5) . . ?
C248 C247 C246 122.0(5) . . ?
C247 C248 C249 124.8(6) . . ?
C248 C249 C250 117.4(6) . . ?
C248 C249 C21G 121.5(6) . . ?
C250 C249 C21G 120.9(6) . . ?
C251 C250 C249 119.9(5) . . ?
C250 C251 C246 120.2(5) . . ?
C256 N210 C252 119.2(8) . . ?
C256 N210 Zn7 116.0(6) . 2_545 ?
C252 N210 Zn7 124.7(6) . 2_545 ?
C253 C252 N210 134.2(10) . . ?
C252 C253 C254 102.7(9) . . ?
C253 C254 C255 129.8(10) . . ?
C256 C255 C254 115.0(9) . . ?
N210 C256 C255 116.0(9) . . ?
N210 C256 C257 116.2(8) . . ?
C255 C256 C257 127.0(9) . . ?
C257 N211 C261 106.1(7) . . ?
C257 N211 Zn7 127.1(6) . 2_545 ?
C261 N211 Zn7 126.7(5) . 2_545 ?
C258 C257 N211 134.9(9) . . ?
C258 C257 C256 118.2(8) . . ?
N211 C257 C256 106.5(8) . . ?
C257 C258 C259 122.6(8) . . ?
C260 C259 C258 104.5(7) . . ?
C261 C260 C259 127.1(8) . . ?
C261 C260 N212 116.9(7) . . ?
C259 C260 N212 115.8(7) . . ?
N211 C261 C260 123.3(7) . . ?
N212 C262 O204 119.2(8) . . ?
N212 C262 C263 128.0(7) . . ?
O204 C262 C263 112.7(7) . . ?
C262 N212 C260 132.1(7) . . ?
C268 C263 C264 125.6(7) . . ?
C268 C263 C262 122.7(7) . . ?
C264 C263 C262 111.1(6) . . ?
C263 C264 C265 111.1(6) . . ?
C266 C265 C264 120.6(7) . . ?
C267 C266 C265 119.2(7) . . ?
C267 C266 C21G 113.7(6) . . ?
C265 C266 C21G 126.2(7) . . ?
C266 C267 C268 121.7(7) . . ?
C263 C268 C267 120.3(7) . . ?
C31G C30G C315 128.0(8) . . ?
C31G C30G C332 122.3(8) . . ?
C315 C30G C332 109.6(6) . . ?
C30G C31G C366 124.6(8) . . ?
C30G C31G C349 121.7(7) . . ?
C366 C31G C349 113.7(6) . . ?
C301 N301 C305 117.9(6) . . ?
C301 N301 Zn4 125.1(5) . 2_545 ?
C305 N301 Zn4 116.9(4) . 2_545 ?
N301 C301 C302 124.5(7) . . ?
C301 C302 C303 117.3(6) . . ?
C304 C303 C302 116.1(6) . . ?
C305 C304 C303 121.3(7) . . ?
N301 C305 C304 122.4(7) . . ?
N301 C305 C306 115.3(6) . . ?
C304 C305 C306 122.0(7) . . ?
C306 N302 C310 115.8(6) . . ?
C306 N302 Zn4 117.7(5) . 2_545 ?
C310 N302 Zn4 126.0(4) . 2_545 ?
N302 C306 C307 123.7(7) . . ?
N302 C306 C305 115.2(6) . . ?
C307 C306 C305 120.8(6) . . ?
C306 C307 C308 119.0(7) . . ?
C309 C308 C307 120.9(7) . . ?
C308 C309 N303 130.2(7) . . ?
C308 C309 C310 111.6(7) . . ?
N303 C309 C310 117.9(6) . . ?
N302 C310 C309 128.6(7) . . ?
C311 N303 C309 121.9(6) . . ?
N303 C311 O301 124.0(6) . . ?
N303 C311 C312 106.4(6) . . ?
O301 C311 C312 127.9(7) . . ?
C313 C312 C317 115.1(6) . . ?
C313 C312 C311 138.8(7) . . ?
C317 C312 C311 105.9(6) . . ?
C312 C313 C314 132.6(7) . . ?
C315 C314 C313 109.5(7) . . ?
C314 C315 C316 124.9(7) . . ?
C314 C315 C30G 124.1(6) . . ?
C316 C315 C30G 110.6(6) . . ?
C317 C316 C315 118.6(7) . . ?
C312 C317 C316 117.9(6) . . ?
C318 N304 C322 122.6(6) . . ?
C318 N304 Zn6 122.9(5) . 2_545 ?
C322 N304 Zn6 114.4(4) . 2_545 ?
N304 C318 C319 120.5(7) . . ?
C320 C319 C318 115.1(7) . . ?
C321 C320 C319 126.1(8) . . ?
C320 C321 C322 113.3(8) . . ?
N304 C322 C321 122.0(6) . . ?
N304 C322 C323 124.4(6) . . ?
C321 C322 C323 113.2(6) . . ?
C327 N305 C323 115.8(5) . . ?
C327 N305 Zn6 128.1(4) . 2_545 ?
C323 N305 Zn6 115.0(4) . 2_545 ?
C324 C323 N305 114.6(6) . . ?
C324 C323 C322 136.6(6) . . ?
N305 C323 C322 108.5(6) . . ?
C325 C324 C323 124.2(7) . . ?
C324 C325 C326 125.8(7) . . ?
N306 C326 C327 132.2(6) . . ?
N306 C326 C325 117.0(6) . . ?
C327 C326 C325 109.6(6) . . ?
C326 C327 N305 129.1(6) . . ?
C328 N306 C326 120.7(8) . . ?
N306 C328 O302 128.5(8) . . ?
N306 C328 C329 113.2(8) . . ?
O302 C328 C329 118.2(6) . . ?
C330 C329 C334 119.4(7) . . ?
C330 C329 C328 117.4(7) . . ?
C334 C329 C328 121.3(6) . . ?
C331 C330 C329 123.4(8) . . ?
C330 C331 C332 122.4(7) . . ?
C333 C332 C331 116.8(6) . . ?
C333 C332 C30G 122.0(6) . . ?
C331 C332 C30G 120.6(6) . . ?
C332 C333 C334 121.5(7) . . ?
C333 C334 C329 115.9(6) . . ?
C335 N307 C339 117.1(5) . . ?
C335 N307 Zn1 128.3(4) . 2_545 ?
C339 N307 Zn1 114.2(4) . 2_545 ?
C340 N308 C344 117.5(5) . . ?
C340 N308 Zn1 118.5(3) . 2_545 ?
C344 N308 Zn1 124.0(3) . 2_545 ?
N307 C335 C336 121.1(6) . . ?
C337 C336 C335 122.8(6) . . ?
C338 C337 C336 115.8(7) . . ?
C337 C338 C339 124.5(7) . . ?
N307 C339 C340 116.8(5) . . ?
N307 C339 C338 118.5(6) . . ?
C340 C339 C338 124.5(6) . . ?
N308 C340 C341 123.7(5) . . ?
N308 C340 C339 115.3(5) . . ?
C341 C340 C339 120.1(5) . . ?
C340 C341 C342 117.3(5) . . ?
C343 C342 C341 123.6(5) . . ?
C342 C343 N309 134.2(5) . . ?
C342 C343 C344 109.3(5) . . ?
N309 C343 C344 116.5(4) . . ?
N308 C344 C343 127.7(4) . . ?
C345 N309 C343 117.7(6) . . ?
N309 C345 O303 128.8(7) . . ?
N309 C345 C346 112.0(6) . . ?
O303 C345 C346 118.5(6) . . ?
C347 C346 C351 120.0 . . ?
C347 C346 C345 116.7(4) . . ?
C351 C346 C345 123.2(4) . . ?
C348 C347 C346 120.0 . . ?
C349 C348 C347 120.0 . . ?
C348 C349 C350 120.0 . . ?
C348 C349 C31G 114.1(4) . . ?
C350 C349 C31G 125.1(4) . . ?
C351 C350 C349 120.0 . . ?
C350 C351 C346 120.0 . . ?
C356 N310 C352 122.7(7) . . ?
C356 N310 Zn8 116.9(5) . 2_545 ?
C352 N310 Zn8 120.4(5) . 2_545 ?
C353 C352 N310 116.7(7) . . ?
C352 C353 C354 127.3(8) . . ?
C353 C354 C355 111.5(7) . . ?
C356 C355 C354 120.0(7) . . ?
N310 C356 C355 121.2(8) . . ?
N310 C356 C357 118.7(7) . . ?
C355 C356 C357 119.8(7) . . ?
C357 N311 C361 110.4(7) . . ?
C357 N311 Zn8 121.5(5) . 2_545 ?
C361 N311 Zn8 127.2(5) . 2_545 ?
C358 C357 N311 135.8(8) . . ?
C358 C357 C356 117.5(8) . . ?
N311 C357 C356 106.5(7) . . ?
C357 C358 C359 111.4(8) . . ?
C358 C359 C360 125.3(7) . . ?
C361 C360 N312 123.4(7) . . ?
C361 C360 C359 106.8(7) . . ?
N312 C360 C359 129.2(7) . . ?
N311 C361 C360 129.8(7) . . ?
C362 N312 C360 110.1(6) . . ?
C62C N312 C360 119.8(7) . . ?
C367 C366 C365 127.2(8) . . ?
C65C C366 C67C 124.3(10) . . ?
C367 C366 C31G 124.5(7) . . ?
C365 C366 C31G 107.0(7) . . ?
C65C C366 C31G 132.3(9) . . ?
C67C C366 C31G 101.5(8) . . ?
N312 C362 O34' 141.4(12) . . ?
N312 C362 O304 138.9(11) . . ?
O34' C362 O304 33.7(11) . . ?
N312 C362 C363 92.1(6) . . ?
O34' C362 C363 125.1(11) . . ?
O304 C362 C363 118.7(10) . . ?
O34' O304 C362 71.7(12) . . ?
O304 O34' C362 74.6(11) . . ?
C364 C363 C368 106.4(9) . . ?
C364 C363 C362 117.7(8) . . ?
C368 C363 C362 132.8(9) . . ?
C363 C364 C365 132.4(10) . . ?
C364 C365 C366 112.1(9) . . ?
C366 C367 C368 110.3(9) . . ?
C363 C368 C367 130.9(10) . . ?
N312 C62C O4CC 134.2(13) . . ?
N312 C62C O04C 136.7(12) . . ?
O4CC C62C O04C 39.8(11) . . ?
N312 C62C C63C 94.3(8) . . ?
O4CC C62C C63C 117.2(13) . . ?
O04C C62C C63C 127.7(11) . . ?
O4CC O04C C62C 67.7(10) . . ?
O04C O4CC C62C 72.5(10) . . ?
C64C C63C C68C 105.3(12) . . ?
C64C C63C C62C 131.9(11) . . ?
C68C C63C C62C 117.9(11) . . ?
C63C C64C C65C 132.2(14) . . ?
C366 C65C C64C 112.1(12) . . ?
C366 C67C C68C 112.5(11) . . ?
C63C C68C C67C 128.2(13) . . ?
C41G C40G C432 112.2(8) . . ?
C41G C40G C415 130.8(8) . . ?
C432 C40G C415 116.6(7) . . ?
C40G C41G C466 135.4(8) . . ?
C40G C41G C449 108.7(7) . . ?
C466 C41G C449 115.9(6) . . ?
C435 N407 C439 112.6(5) . . ?
C435 N407 Zn1 130.5(4) . 2_545 ?
C439 N407 Zn1 116.7(4) . 2_545 ?
C444 N408 C440 122.8(5) . . ?
C444 N408 Zn1 124.6(4) . 2_545 ?
C440 N408 Zn1 112.3(4) . 2_545 ?
C456 N410 C452 114.5(5) . . ?
C456 N410 Zn3 117.7(4) . 2_545 ?
C452 N410 Zn3 127.7(4) . 2_545 ?
C457 N411 C461 120.8(5) . . ?
C457 N411 Zn3 110.6(4) . 2_545 ?
C461 N411 Zn3 128.1(4) . 2_545 ?
C462 N412 C460 128.8(6) . . ?
C405 N401 C401 110.2(6) . . ?
C405 N401 Zn6 113.6(5) . 2_545 ?
C401 N401 Zn6 136.2(5) . 2_545 ?
C402 C401 N401 127.5(7) . . ?
C401 C402 C403 115.3(8) . . ?
C404 C403 C402 120.8(8) . . ?
C405 C404 C403 121.9(7) . . ?
C404 C405 N401 124.2(7) . . ?
C404 C405 C406 115.9(7) . . ?
N401 C405 C406 119.7(6) . . ?
C406 N402 C409 119.7(5) . . ?
C406 N402 Zn6 115.0(4) . 2_545 ?
C409 N402 Zn6 125.3(4) . 2_545 ?
N402 C406 C407 126.4(6) . . ?
N402 C406 C405 111.8(5) . . ?
C407 C406 C405 121.3(6) . . ?
C408 C407 C406 112.4(7) . . ?
C407 C408 C410 124.8(7) . . ?
N402 C409 C410 117.5(6) . . ?
C408 C410 C409 119.1(6) . . ?
C408 C410 N403 131.1(6) . . ?
C409 C410 N403 109.8(6) . . ?
C411 N403 C410 119.7(6) . . ?
O01D C411 O401 29.8(9) . . ?
O01D C411 N403 117.8(9) . . ?
O401 C411 N403 126.3(7) . . ?
O01D C411 C412 116.6(10) . . ?
O401 C411 C412 117.9(6) . . ?
N403 C411 C412 115.8(6) . . ?
O01D O401 C411 48.4(12) . . ?
O401 O01D C411 101.8(17) . . ?
C417 C412 C413 119.0(6) . . ?
C417 C412 C411 121.1(6) . . ?
C413 C412 C411 119.7(6) . . ?
C412 C413 C414 122.1(7) . . ?
C415 C414 C413 120.1(7) . . ?
C414 C415 C416 122.2(6) . . ?
C414 C415 C40G 124.0(6) . . ?
C416 C415 C40G 113.3(6) . . ?
C415 C416 C417 113.9(6) . . ?
C412 C417 C416 122.5(6) . . ?
C422 N404 C418 122.1(5) . . ?
C422 N404 Zn5 113.2(4) . 2_545 ?
C418 N404 Zn5 124.0(4) . 2_545 ?
C427 N405 C423 121.1(6) . . ?
C427 N405 Zn5 120.7(4) . 2_545 ?
C423 N405 Zn5 118.2(4) . 2_545 ?
C428 N406 C426 123.1(7) . . ?
C419 C418 N404 120.4(7) . . ?
C418 C419 C420 120.5(7) . . ?
C419 C420 C421 116.4(6) . . ?
C422 C421 C420 124.1(7) . . ?
N404 C422 C421 116.3(7) . . ?
N404 C422 C423 118.9(5) . . ?
C421 C422 C423 124.7(7) . . ?
N405 C423 C424 121.1(6) . . ?
N405 C423 C422 114.5(6) . . ?
C424 C423 C422 124.4(5) . . ?
C425 C424 C423 121.4(7) . . ?
C424 C425 C426 115.2(7) . . ?
C427 C426 C425 120.5(6) . . ?
C427 C426 N406 118.1(6) . . ?
C425 C426 N406 121.4(6) . . ?
N405 C427 C426 120.5(6) . . ?
O02D O402 C428 61.2(7) . . ?
O402 O02D C428 78.3(8) . . ?
N406 C428 O02D 131.0(8) . . ?
N406 C428 O402 134.8(7) . . ?
O02D C428 O402 40.4(5) . . ?
N406 C428 C429 123.3(6) . . ?
O02D C428 C429 101.7(6) . . ?
O402 C428 C429 97.5(6) . . ?
C430 C429 C434 121.3(6) . . ?
C430 C429 C428 107.4(5) . . ?
C434 C429 C428 131.3(6) . . ?
C429 C430 C431 115.7(6) . . ?
C432 C431 C430 120.5(6) . . ?
C433 C432 C431 117.5(7) . . ?
C433 C432 C40G 106.4(7) . . ?
C431 C432 C40G 136.0(7) . . ?
C432 C433 C434 125.3(7) . . ?
C433 C434 C429 119.4(7) . . ?
N407 C435 C436 130.9(6) . . ?
C435 C436 C437 115.8(6) . . ?
C438 C437 C436 119.2(7) . . ?
C437 C438 C439 119.5(7) . . ?
N407 C439 C440 114.8(5) . . ?
N407 C439 C438 121.8(6) . . ?
C440 C439 C438 123.3(6) . . ?
N408 C440 C439 119.1(5) . . ?
N408 C440 C441 112.1(5) . . ?
C439 C440 C441 128.8(5) . . ?
C442 C441 C440 126.0(6) . . ?
C441 C442 C443 117.7(6) . . ?
C444 C443 C442 117.2(6) . . ?
C444 C443 N409 120.2(5) . . ?
C442 C443 N409 122.5(5) . . ?
N408 C444 C443 124.1(5) . . ?
C45D N409 C443 128.5(7) . . ?
C445 N409 C443 123.2(5) . . ?
C450 C449 C448 118.3(6) . . ?
C48D C449 C50D 124.6(6) . . ?
C450 C449 C41G 133.0(6) . . ?
C48D C449 C41G 126.1(5) . . ?
C448 C449 C41G 107.7(5) . . ?
C50D C449 C41G 106.8(5) . . ?
O403 C445 N409 130.1(8) . . ?
O403 C445 C446 123.6(8) . . ?
N409 C445 C446 106.3(6) . . ?
C447 C446 C451 120.2(8) . . ?
C447 C446 C445 111.7(7) . . ?
C451 C446 C445 128.1(7) . . ?
C446 C447 C448 117.1(8) . . ?
C449 C448 C447 122.2(7) . . ?
C451 C450 C449 118.1(7) . . ?
C450 C451 C446 124.0(8) . . ?
N409 C45D C46D 107.6(10) . . ?
N409 C45D O3DD 131.1(11) . . ?
C46D C45D O3DD 118.2(10) . . ?
N409 C45D O03D 124.4(10) . . ?
C46D C45D O03D 113.2(10) . . ?
O3DD C45D O03D 19.6(6) . . ?
O3DD O03D C45D 60.7(18) . . ?
O03D O3DD C45D 100(2) . . ?
C51D C46D C47D 112.9(8) . . ?
C51D C46D C45D 120.4(8) . . ?
C47D C46D C45D 125.1(8) . . ?
C48D C47D C46D 125.5(8) . . ?
C449 C48D C47D 112.0(8) . . ?
C51D C50D C449 114.0(7) . . ?
C46D C51D C50D 125.9(8) . . ?
C453 C452 N410 124.9(6) . . ?
C452 C453 C454 118.4(6) . . ?
C455 C454 C453 116.0(6) . . ?
C456 C455 C454 118.8(6) . . ?
N410 C456 C455 127.2(6) . . ?
N410 C456 C457 112.8(5) . . ?
C455 C456 C457 120.0(6) . . ?
N411 C457 C458 119.9(5) . . ?
N411 C457 C456 120.1(5) . . ?
C458 C457 C456 120.0(5) . . ?
C457 C458 C459 118.3(6) . . ?
C460 C459 C458 119.8(6) . . ?
N412 C460 C461 119.9(5) . . ?
N412 C460 C459 123.6(6) . . ?
C461 C460 C459 116.2(6) . . ?
N411 C461 C460 124.8(6) . . ?
O044 C462 N412 121.5(6) . . ?
O044 C462 C463 122.1(6) . . ?
N412 C462 C463 116.4(6) . . ?
C464 C463 C468 120.5(6) . . ?
C464 C463 C462 125.7(6) . . ?
C468 C463 C462 113.8(6) . . ?
C463 C464 C465 122.6(6) . . ?
C466 C465 C464 121.5(7) . . ?
C465 C466 C467 123.7(7) . . ?
C465 C466 C41G 125.1(6) . . ?
C467 C466 C41G 109.9(6) . . ?
C466 C467 C468 115.4(6) . . ?
C463 C468 C467 116.0(6) . . ?
C50H C50G C14E 124.9(10) . . ?
C50H C50G C566 128.6(7) . . ?
C14E C50G C566 105.3(8) . . ?
C50H C50G C515 127.8(8) . . ?
C566 C50G C515 103.6(6) . . ?
C50G C50H C532 116.4(8) . . ?
C50G C50H C549 117.3(8) . . ?
C532 C50H C549 126.3(7) . . ?
C501 N501 C505 117.5(5) . . ?
C501 N501 Zn1 123.6(4) . 2_545 ?
C505 N501 Zn1 115.9(4) . 2_545 ?
N501 C501 C502 124.0(6) . . ?
C503 C502 C501 118.6(6) . . ?
C502 C503 C504 117.8(6) . . ?
C505 C504 C503 118.3(5) . . ?
N501 C505 C504 123.5(5) . . ?
N501 C505 C506 117.1(5) . . ?
C504 C505 C506 119.3(5) . . ?
C506 N502 C509 118.0(4) . . ?
C506 N502 Zn1 114.4(3) . 2_545 ?
C509 N502 Zn1 127.5(3) . 2_545 ?
C507 C506 N502 117.1(5) . . ?
C507 C506 C505 128.9(5) . . ?
N502 C506 C505 114.0(4) . . ?
C506 C507 C508 121.1(5) . . ?
C510 C508 C507 120.6(5) . . ?
C510 C509 N502 125.6(5) . . ?
C508 C510 C509 117.6(6) . . ?
C508 C510 N503 125.1(5) . . ?
C509 C510 N503 117.2(5) . . ?
C510 N503 C11E 127.1(6) . . ?
C510 N503 C511 122.2(5) . . ?
C12E C517 C16E 140.5(7) . . ?
C512 C517 C516 109.0(7) . . ?
C12E C517 C11E 114.4(6) . . ?
C16E C517 C11E 104.7(6) . . ?
O51' C511 O501 41.9(7) . . ?
O51' C511 N503 137.4(9) . . ?
O501 C511 N503 130.8(9) . . ?
O51' C511 C512 110.8(9) . . ?
O501 C511 C512 123.8(9) . . ?
N503 C511 C512 102.3(7) . . ?
O51' O501 C511 66.0(11) . . ?
O501 O51' C511 72.1(11) . . ?
C517 C512 C513 124.9(8) . . ?
C517 C512 C511 118.3(8) . . ?
C513 C512 C511 114.9(8) . . ?
C514 C513 C512 118.8(9) . . ?
C513 C514 C515 120.6(9) . . ?
C516 C515 C514 115.8(9) . . ?
C516 C515 C50G 132.7(8) . . ?
C514 C515 C50G 111.5(7) . . ?
C515 C516 C517 125.4(10) . . ?
O01E C11E N503 119.9(10) . . ?
O01E C11E O1EE 17.1(8) . . ?
N503 C11E O1EE 131.1(9) . . ?
O01E C11E C517 129.6(10) . . ?
N503 C11E C517 110.5(7) . . ?
O1EE C11E C517 117.1(7) . . ?
O1EE O01E C11E 129(2) . . ?
O01E O1EE C11E 33.9(15) . . ?
C517 C12E C13E 108.1(9) . . ?
C12E C13E C14E 127.9(12) . . ?
C15E C14E C13E 106.0(11) . . ?
C15E C14E C50G 124.6(11) . . ?
C13E C14E C50G 125.4(11) . . ?
C16E C15E C14E 136.5(11) . . ?
C517 C16E C15E 100.6(8) . . ?
C522 N504 C518 115.9(6) . . ?
C522 N504 Zn3 110.9(4) . 2_545 ?
C518 N504 Zn3 133.1(5) . 2_545 ?
C523 N505 C527 122.0(5) . . ?
C523 N505 Zn3 115.1(4) . 2_545 ?
C527 N505 Zn3 122.7(4) . 2_545 ?
C526 N506 C528 131.5(5) . . ?
C519 C518 N504 131.3(9) . . ?
C518 C519 C520 114.6(8) . . ?
C519 C520 C521 124.7(8) . . ?
C522 C521 C520 110.9(6) . . ?
N504 C522 C521 122.1(6) . . ?
N504 C522 C523 118.1(6) . . ?
C521 C522 C523 119.7(6) . . ?
N505 C523 C524 116.8(5) . . ?
N505 C523 C522 116.3(6) . . ?
C524 C523 C522 126.8(6) . . ?
C525 C524 C523 121.5(6) . . ?
C526 C525 C524 120.3(6) . . ?
C525 C526 N506 126.2(6) . . ?
C525 C526 C527 118.2(6) . . ?
N506 C526 C527 115.6(5) . . ?
N505 C527 C526 121.1(5) . . ?
O502 C528 N506 113.7(6) . . ?
O502 C528 C529 121.2(6) . . ?
N506 C528 C529 125.0(6) . . ?
C530 C529 C528 123.8(6) . . ?
C530 C529 C534 118.7(5) . . ?
C528 C529 C534 117.6(6) . . ?
C529 C530 C531 127.9(6) . . ?
C530 C531 C532 112.6(6) . . ?
C531 C532 C533 128.5(6) . . ?
C531 C532 C50H 124.8(7) . . ?
C533 C532 C50H 105.9(7) . . ?
C532 C533 C534 111.8(6) . . ?
C533 C534 C529 120.5(6) . . ?
C535 N507 C539 116.9(5) . . ?
C535 N507 Zn2 123.9(4) . 2_545 ?
C539 N507 Zn2 116.5(3) . 2_545 ?
C544 N508 C540 121.7(5) . . ?
C544 N508 Zn2 126.9(4) . 2_545 ?
C540 N508 Zn2 110.8(3) . 2_545 ?
C545 N509 C543 132.6(6) . . ?
N507 C535 C536 118.4(5) . . ?
C537 C536 C535 126.3(6) . . ?
C536 C537 C538 114.2(6) . . ?
C537 C538 C539 120.2(6) . . ?
N507 C539 C538 123.6(5) . . ?
N507 C539 C540 110.9(5) . . ?
C538 C539 C540 125.5(5) . . ?
N508 C540 C541 118.4(5) . . ?
N508 C540 C539 122.1(5) . . ?
C541 C540 C539 119.5(5) . . ?
C542 C541 C540 121.8(5) . . ?
C543 C542 C541 114.1(5) . . ?
C544 C543 C542 122.8(5) . . ?
C544 C543 N509 116.9(5) . . ?
C542 C543 N509 120.3(5) . . ?
N508 C544 C543 121.1(5) . . ?
O503 C545 N509 120.0(7) . . ?
O503 C545 C546 121.3(6) . . ?
N509 C545 C546 118.6(6) . . ?
C551 C546 C547 128.7(7) . . ?
C551 C546 C545 114.1(7) . . ?
C547 C546 C545 116.2(6) . . ?
C548 C547 C546 113.0(7) . . ?
C547 C548 C549 123.9(8) . . ?
C550 C549 C548 116.4(7) . . ?
C550 C549 C50H 109.4(7) . . ?
C548 C549 C50H 133.5(7) . . ?
C549 C550 C551 121.7(8) . . ?
C546 C551 C550 115.4(7) . . ?
C556 N510 C552 110.4(7) . . ?
C556 N510 Zn8 124.0(5) . 2_545 ?
C552 N510 Zn8 121.6(5) . 2_545 ?
N510 C552 C553 124.0(7) . . ?
C554 C553 C552 117.4(7) . . ?
C553 C554 C555 126.0(7) . . ?
C556 C555 C554 100.9(6) . . ?
N510 C556 C555 140.9(7) . . ?
N510 C556 C557 108.0(6) . . ?
C555 C556 C557 110.7(6) . . ?
C557 N511 C561 126.4(6) . . ?
C557 N511 Zn8 113.2(4) . 2_545 ?
C561 N511 Zn8 120.2(4) . 2_545 ?
C558 C557 N511 114.2(6) . . ?
C558 C557 C556 130.5(6) . . ?
N511 C557 C556 115.2(6) . . ?
C557 C558 C559 127.7(6) . . ?
C558 C559 C560 112.7(6) . . ?
C561 C560 N512 118.2(6) . . ?
C561 C560 C559 124.5(6) . . ?
N512 C560 C559 116.9(6) . . ?
C560 C561 N511 114.4(6) . . ?
C62E N512 C560 119.2(6) . . ?
C560 N512 C562 126.7(6) . . ?
C564 C565 C566 125.0(7) . . ?
C566 C565 C64E 94.4(7) . . ?
C567 C566 C565 116.2(7) . . ?
C565 C566 C67E 140.8(9) . . ?
C567 C566 C50G 127.7(6) . . ?
C565 C566 C50G 115.8(6) . . ?
C67E C566 C50G 103.2(7) . . ?
O504 C562 O54' 29.2(13) . . ?
O504 C562 N512 128.4(12) . . ?
O54' C562 N512 124.7(12) . . ?
O504 C562 C563 132.0(13) . . ?
O54' C562 C563 125.0(12) . . ?
N512 C562 C563 99.6(7) . . ?
O54' O504 C562 90(3) . . ?
O504 O54' C562 61(3) . . ?
C564 C563 C568 119.2(7) . . ?
C564 C563 C562 108.0(7) . . ?
C568 C563 C562 131.8(8) . . ?
C565 C564 C563 119.6(8) . . ?
C566 C567 C568 121.4(8) . . ?
C567 C568 C563 117.5(7) . . ?
N512 C62E O04E 139.4(10) . . ?
N512 C62E C63E 101.1(9) . . ?
O04E C62E C63E 119.0(12) . . ?
N512 C62E O4EE 137.3(10) . . ?
O04E C62E O4EE 15.8(12) . . ?
C63E C62E O4EE 119.9(11) . . ?
C68E C63E C64E 97.9(8) . . ?
C68E C63E C62E 120.9(10) . . ?
C64E C63E C62E 140.4(10) . . ?
C63E C64E C565 142.0(10) . . ?
C68E C67E C566 106.5(10) . . ?
C67E C68E C63E 134.4(13) . . ?
C602 C603 C604 124.2(7) . . ?
C604 C603 C02F 87.6(7) . . ?
C605 C604 C603 90.7(6) . . ?
C05F C604 C603 122.4(7) . . ?
C01F N01F C05F 100.9(10) . . ?
N01F C01F C02F 118.3(11) . . ?
C01F C02F C603 117.5(10) . . ?
N01F C05F C604 112.4(9) . . ?
N01F C05F C606 87.1(8) . . ?
C604 C05F C606 107.0(8) . . ?
C601 N601 C605 107.2(10) . . ?
C601 N601 Zn8 124.5(9) . 2_545 ?
C605 N601 Zn8 126.0(8) . 2_545 ?
N601 C601 C602 127.1(12) . . ?
C601 C602 C603 104.6(9) . . ?
N601 C605 C604 127.6(11) . . ?
N601 C605 C606 95.0(8) . . ?
C604 C605 C606 104.5(7) . . ?
C606 N602 C610 105.3(5) . . ?
C606 N602 Zn8 115.8(4) . 2_545 ?
C610 N602 Zn8 138.0(4) . 2_545 ?
N602 C606 C607 131.3(6) . . ?
N602 C606 C05F 129.6(6) . . ?
C607 C606 C05F 99.1(6) . . ?
N602 C606 C605 107.1(6) . . ?
C607 C606 C605 103.1(6) . . ?
C606 C607 C608 107.3(6) . . ?
C609 C608 C607 130.7(6) . . ?
N603 C609 C610 127.3(6) . . ?
N603 C609 C608 126.8(6) . . ?
C610 C609 C608 104.0(6) . . ?
C609 C610 N602 138.5(6) . . ?
C622 N604 C618 119.8(6) . . ?
C622 N604 Zn4 117.7(4) . 2_545 ?
C618 N604 Zn4 122.5(5) . 2_545 ?
N604 C618 C619 118.2(6) . . ?
C620 C619 C618 117.6(7) . . ?
C619 C620 C621 125.6(7) . . ?
C622 C621 C620 114.0(7) . . ?
N604 C622 C621 124.1(6) . . ?
N604 C622 C623 115.7(6) . . ?
C621 C622 C623 119.9(7) . . ?
C627 N605 C623 118.0(6) . . ?
C627 N605 Zn4 122.4(5) . 2_545 ?
C623 N605 Zn4 119.5(5) . 2_545 ?
C624 C623 N605 120.1(7) . . ?
C624 C623 C622 126.7(7) . . ?
N605 C623 C622 113.1(6) . . ?
C623 C624 C625 123.7(7) . . ?
C626 C625 C624 113.9(7) . . ?
C627 C626 C625 121.6(7) . . ?
C627 C626 N606 117.2(7) . . ?
C625 C626 N606 121.2(7) . . ?
C626 C627 N605 122.5(7) . . ?
C628 N606 C626 127.9(7) . . ?
N606 C628 O602 133.2(7) . . ?
N606 C628 C629 116.0(7) . . ?
O602 C628 C629 110.8(6) . . ?
C634 C629 C630 125.1(7) . . ?
C634 C629 C628 118.2(6) . . ?
C630 C629 C628 115.8(6) . . ?
C629 C630 C631 112.8(7) . . ?
C632 C631 C630 122.6(7) . . ?
C633 C632 C631 123.1(7) . . ?
C633 C632 C60G 112.0(6) . . ?
C631 C632 C60G 124.9(6) . . ?
C632 C633 C634 114.4(7) . . ?
C629 C634 C633 119.9(7) . . ?
C639 N607 C635 116.6(6) . . ?
C639 N607 Zn2 117.0(5) . 2_545 ?
C635 N607 Zn2 125.3(5) . 2_545 ?
N607 C635 C636 120.6(7) . . ?
C637 C636 C635 123.3(7) . . ?
C636 C637 C638 115.7(7) . . ?
C637 C638 C639 119.1(7) . . ?
N607 C639 C638 124.4(7) . . ?
N607 C639 C640 113.7(6) . . ?
C638 C639 C640 121.8(7) . . ?
C640 N608 C644 122.4(7) . . ?
C640 N608 Zn2 116.1(5) . 2_545 ?
C644 N608 Zn2 121.5(5) . 2_545 ?
N608 C640 C641 125.3(7) . . ?
N608 C640 C639 116.2(7) . . ?
C641 C640 C639 118.5(7) . . ?
C640 C641 C642 115.5(7) . . ?
C643 C642 C641 114.3(7) . . ?
C644 C643 C642 125.6(8) . . ?
C644 C643 N609 121.6(7) . . ?
C642 C643 N609 112.8(7) . . ?
N608 C644 C643 116.5(7) . . ?
C645 N609 C643 123.1(7) . . ?
O63' C645 N609 122.8(8) . . ?
O63' C645 O603 61.0(6) . . ?
N609 C645 O603 108.3(8) . . ?
O63' C645 C646 124.0(8) . . ?
N609 C645 C646 104.4(6) . . ?
O603 C645 C646 132.2(8) . . ?
C645 O63' O603 59.8(5) . . ?
C645 O603 O63' 59.2(5) . . ?
C651 C646 C647 134.4(8) . . ?
C651 C646 C645 98.6(6) . . ?
C647 C646 C645 123.4(7) . . ?
C646 C647 C648 112.4(6) . . ?
C649 C648 C647 115.6(6) . . ?
C648 C649 C650 124.1(7) . . ?
C648 C649 C61G 125.1(7) . . ?
C650 C649 C61G 106.6(6) . . ?
C649 C650 C651 125.9(7) . . ?
C646 C651 C650 105.9(7) . . ?
C656 N610 C652 137.6(9) . . ?
C656 N610 Zn7 107.9(6) . 2_545 ?
C652 N610 Zn7 114.0(6) . 2_545 ?
N610 C652 C653 101.5(8) . . ?
C652 C653 C654 134.7(9) . . ?
C653 C654 C655 108.1(8) . . ?
C656 C655 C654 114.6(8) . . ?
N610 C656 C655 122.8(9) . . ?
N610 C656 C657 128.4(9) . . ?
C655 C656 C657 108.1(8) . . ?
C661 N611 C657 117.1(7) . . ?
C661 N611 Zn7 128.3(5) . 2_545 ?
C657 N611 Zn7 114.4(5) . 2_545 ?
N611 C657 C658 121.9(7) . . ?
N611 C657 C656 109.7(7) . . ?
C658 C657 C656 128.2(8) . . ?
C659 C658 C657 117.5(7) . . ?
C658 C659 C660 122.1(7) . . ?
C661 C660 N612 129.9(7) . . ?
C661 C660 C659 109.9(7) . . ?
N612 C660 C659 120.2(6) . . ?
N611 C661 C660 130.9(7) . . ?
C660 N612 C662 112.0(6) . . ?
C660 N612 C62F 131.9(6) . . ?
C65F C664 C63F 117.2(10) . . ?
C663 C664 C665 110.6(7) . . ?
C65F C664 C62F 138.0(11) . . ?
C63F C664 C62F 103.7(11) . . ?
O604 C662 O64' 35.9(10) . . ?
O604 C662 C663 149.8(12) . . ?
O64' C662 C663 142.4(12) . . ?
O604 C662 N612 120.5(10) . . ?
O64' C662 N612 123.9(11) . . ?
C663 C662 N612 85.2(6) . . ?
C664 C663 C668 126.9(8) . . ?
C664 C663 C662 133.0(8) . . ?
C668 C663 C662 100.1(7) . . ?
C666 C665 C664 127.9(9) . . ?
C667 C666 C665 110.9(8) . . ?
C667 C666 C61G 121.6(8) . . ?
C665 C666 C61G 125.1(8) . . ?
C668 C667 C666 123.6(9) . . ?
C667 C668 C663 116.9(9) . . ?
O604 O64' C662 71.5(12) . . ?
O64' O604 C662 72.6(12) . . ?
O04F C62F C664 156.6(14) . . ?
O04F C62F N612 111.6(10) . . ?
C664 C62F N612 91.8(7) . . ?
C664 C63F C68F 122.5(12) . . ?
C664 C65F C66F 123.7(13) . . ?
C65F C66F C67F 109.7(11) . . ?
C68F C67F C66F 121.1(13) . . ?
C68F C67F C61G 101.8(9) . . ?
C66F C67F C61G 105.3(9) . . ?
C63F C68F C67F 105.5(12) . . ?
C61G C60G C615 147.6(8) . . ?
C61G C60G C632 102.0(6) . . ?
C615 C60G C632 110.2(5) . . ?
C60G C61G C67F 132.6(8) . . ?
C60G C61G C666 146.7(7) . . ?
C60G C61G C649 99.9(6) . . ?
C67F C61G C649 122.7(7) . . ?
C666 C61G C649 111.9(6) . . ?
C609 N603 C611 118.7(7) . . ?
C609 N603 C11F 109.8(6) . . ?
C614 C615 C616 128.0(6) . . ?
C16F C615 C14F 142.6(9) . . ?
C16F C615 C60G 122.2(7) . . ?
C614 C615 C60G 136.8(6) . . ?
C616 C615 C60G 93.9(5) . . ?
C14F C615 C60G 95.0(6) . . ?
O61' C611 O601 37.2(15) . . ?
O61' C611 N603 130.5(15) . . ?
O601 C611 N603 146.4(15) . . ?
O61' C611 C612 135.7(16) . . ?
O601 C611 C612 115.7(14) . . ?
N603 C611 C612 91.0(8) . . ?
O601 O61' C611 80(3) . . ?
O61' O601 C611 62(2) . . ?
C613 C612 C617 109.4(7) . . ?
C613 C612 C611 124.5(8) . . ?
C617 C612 C611 126.1(8) . . ?
C614 C613 C612 129.7(8) . . ?
C615 C614 C613 111.3(7) . . ?
C615 C616 C617 111.1(7) . . ?
C612 C617 C616 127.8(8) . . ?
O01F C11F C12F 122.8(11) . . ?
O01F C11F N603 144.2(11) . . ?
C12F C11F N603 93.0(8) . . ?
C17F C12F C13F 100.7(10) . . ?
C17F C12F C11F 131.1(11) . . ?
C13F C12F C11F 126.0(11) . . ?
C12F C13F C14F 134.4(11) . . ?
C615 C14F C13F 101.8(9) . . ?
C615 C16F C17F 99.6(10) . . ?
C12F C17F C16F 139.3(11) . . ?
F12 B1 F14 102.4(6) . . ?
F12 B1 F11 114.8(7) . . ?
F14 B1 F11 107.2(6) . . ?
F12 B1 F13 118.5(7) . . ?
F14 B1 F13 102.2(6) . . ?
F11 B1 F13 110.0(6) . . ?
F25 B2 F27 132.7(10) . . ?
F25 B2 F24 64.9(6) . . ?
F27 B2 F24 131.9(9) . . ?
F25 B2 F22 144.3(10) . . ?
F27 B2 F22 28.4(6) . . ?
F24 B2 F22 107.4(8) . . ?
F25 B2 F28 115.6(9) . . ?
F27 B2 F28 96.4(8) . . ?
F24 B2 F28 115.5(8) . . ?
F22 B2 F28 99.4(8) . . ?
F25 B2 F26 104.5(9) . . ?
F27 B2 F26 109.6(9) . . ?
F24 B2 F26 41.0(5) . . ?
F22 B2 F26 81.4(7) . . ?
F28 B2 F26 90.0(7) . . ?
F25 B2 F23 54.6(6) . . ?
F27 B2 F23 83.0(7) . . ?
F24 B2 F23 115.1(8) . . ?
F22 B2 F23 108.2(8) . . ?
F28 B2 F23 109.8(7) . . ?
F26 B2 F23 155.6(9) . . ?
F25 B2 F21 101.2(8) . . ?
F27 B2 F21 94.9(7) . . ?
F24 B2 F21 128.7(8) . . ?
F22 B2 F21 108.9(7) . . ?
F28 B2 F21 23.7(5) . . ?
F26 B2 F21 112.6(8) . . ?
F23 B2 F21 86.1(6) . . ?
F28 F21 B2 64.3(11) . . ?
F27 F22 B2 65.3(11) . . ?
F25 F23 B2 52.9(6) . . ?
F26 F24 B2 80.0(8) . . ?
F26 F24 F25 134.6(10) . . ?
B2 F24 F25 57.1(6) . . ?
B2 F25 F23 72.5(7) . . ?
B2 F25 F24 58.0(6) . . ?
F23 F25 F24 125.2(8) . . ?
F24 F26 B2 59.0(7) . . ?
F22 F27 B2 86.4(13) . . ?
F21 F28 B2 92.0(12) . . ?
F38 B3 F31 122.0(9) . . ?
F38 B3 F37 134.8(10) . . ?
F31 B3 F37 76.5(7) . . ?
F38 B3 F34 94.1(8) . . ?
F31 B3 F34 128.0(9) . . ?
F37 B3 F34 105.0(8) . . ?
F38 B3 F35 125.3(9) . . ?
F31 B3 F35 112.5(8) . . ?
F37 B3 F35 52.6(6) . . ?
F34 B3 F35 52.8(6) . . ?
F38 B3 F33 65.5(6) . . ?
F31 B3 F33 109.1(8) . . ?
F37 B3 F33 153.3(9) . . ?
F34 B3 F33 50.3(6) . . ?
F35 B3 F33 102.9(8) . . ?
F38 B3 F36 37.5(5) . . ?
F31 B3 F36 103.5(8) . . ?
F37 B3 F36 101.8(8) . . ?
F34 B3 F36 125.9(8) . . ?
F35 B3 F36 125.5(8) . . ?
F33 B3 F36 102.1(7) . . ?
F38 B3 F32 111.6(8) . . ?
F31 B3 F32 30.6(5) . . ?
F37 B3 F32 102.3(8) . . ?
F34 B3 F32 105.2(8) . . ?
F35 B3 F32 118.1(8) . . ?
F33 B3 F32 78.6(7) . . ?
F36 B3 F32 113.8(8) . . ?
F32 F31 B3 88.8(11) . . ?
F32 F31 F37 130.7(12) . . ?
B3 F31 F37 52.6(5) . . ?
F31 F32 B3 60.5(9) . . ?
F34 F33 B3 62.3(7) . . ?
F34 F33 F38 92.5(8) . . ?
B3 F33 F38 51.5(5) . . ?
F33 F34 F35 132.6(10) . . ?
F33 F34 B3 67.4(7) . . ?
F35 F34 B3 65.4(7) . . ?
F37 F35 F34 121.5(10) . . ?
F37 F35 B3 60.2(7) . . ?
F34 F35 B3 61.8(7) . . ?
F38 F36 B3 59.0(8) . . ?
F35 F37 B3 67.2(7) . . ?
F35 F37 F31 103.9(8) . . ?
B3 F37 F31 50.9(5) . . ?
F36 F38 B3 83.5(9) . . ?
F36 F38 F33 144.2(10) . . ?
B3 F38 F33 63.1(6) . . ?
F47 B4 F48 121.0(10) . . ?
F47 B4 F45 100.1(9) . . ?
F48 B4 F45 137.6(10) . . ?
F47 B4 F44 101.8(8) . . ?
F48 B4 F44 109.6(9) . . ?
F45 B4 F44 46.6(6) . . ?
F47 B4 F43 120.7(9) . . ?
F48 B4 F43 43.1(6) . . ?
F45 B4 F43 124.1(9) . . ?
F44 B4 F43 136.9(9) . . ?
F47 B4 F41 68.6(7) . . ?
F48 B4 F41 78.2(7) . . ?
F45 B4 F41 110.9(8) . . ?
F44 B4 F41 68.6(7) . . ?
F43 B4 F41 118.4(8) . . ?
F47 B4 F42 37.1(5) . . ?
F48 B4 F42 118.5(8) . . ?
F45 B4 F42 100.1(7) . . ?
F44 B4 F42 128.4(8) . . ?
F43 B4 F42 92.9(7) . . ?
F41 B4 F42 103.3(8) . . ?
F47 B4 F46 103.4(9) . . ?
F48 B4 F46 114.6(9) . . ?
F45 B4 F46 59.5(6) . . ?
F44 B4 F46 104.6(8) . . ?
F43 B4 F46 74.2(7) . . ?
F41 B4 F46 167.2(9) . . ?
F42 B4 F46 71.9(6) . . ?
B4 F41 F47 49.3(5) . . ?
B4 F41 F44 53.6(5) . . ?
F47 F41 F44 81.4(6) . . ?
B4 F41 F48 45.5(5) . . ?
F47 F41 F48 83.9(6) . . ?
F44 F41 F48 80.9(6) . . ?
F47 F42 B4 52.3(7) . . ?
F48 F43 B4 60.0(7) . . ?
F45 F44 B4 65.8(7) . . ?
F45 F44 F41 118.4(9) . . ?
B4 F44 F41 57.8(6) . . ?
F44 F45 B4 67.6(7) . . ?
F44 F45 F46 134.4(10) . . ?
B4 F45 F46 69.8(7) . . ?
F45 F46 B4 50.7(5) . . ?
F42 F47 B4 90.6(9) . . ?
F42 F47 F41 145.4(11) . . ?
B4 F47 F41 62.1(7) . . ?
F43 F48 B4 76.9(8) . . ?
F43 F48 F41 129.1(9) . . ?
B4 F48 F41 56.3(6) . . ?
F55 B5 F51 116.3(10) . . ?
F55 B5 F56 137.3(11) . . ?
F51 B5 F56 105.6(9) . . ?
F55 B5 F53 109.8(9) . . ?
F51 B5 F53 125.3(10) . . ?
F56 B5 F53 31.2(7) . . ?
F55 B5 F57 138.9(11) . . ?
F51 B5 F57 58.9(7) . . ?
F56 B5 F57 71.0(7) . . ?
F53 B5 F57 102.1(8) . . ?
F55 B5 F54 20.3(7) . . ?
F51 B5 F54 130.3(10) . . ?
F56 B5 F54 119.0(9) . . ?
F53 B5 F54 89.9(8) . . ?
F57 B5 F54 154.6(10) . . ?
F55 B5 F52 97.5(9) . . ?
F51 B5 F52 76.0(8) . . ?
F56 B5 F52 84.1(8) . . ?
F53 B5 F52 70.0(7) . . ?
F57 B5 F52 117.8(8) . . ?
F54 B5 F52 87.2(7) . . ?
B5 F51 F57 70.4(7) . . ?
F56 F53 B5 66.6(11) . . ?
F55 F54 B5 47.4(14) . . ?
F54 F55 B5 112.4(18) . . ?
F53 F56 B5 82.2(12) . . ?
F51 F57 B5 50.7(6) . . ?
F65 B6 F62 57.0(8) . . ?
F65 B6 F66 134.8(11) . . ?
F62 B6 F66 139.6(11) . . ?
F65 B6 F67 73.7(9) . . ?
F62 B6 F67 115.8(10) . . ?
F66 B6 F67 104.0(10) . . ?
F65 B6 F68 118.4(11) . . ?
F62 B6 F68 98.6(10) . . ?
F66 B6 F68 41.1(7) . . ?
F67 B6 F68 142.6(11) . . ?
F65 B6 F63 114.4(10) . . ?
F62 B6 F63 120.5(10) . . ?
F66 B6 F63 91.2(9) . . ?
F67 B6 F63 47.6(7) . . ?
F68 B6 F63 125.7(10) . . ?
F65 B6 F61 117.0(10) . . ?
F62 B6 F61 60.7(7) . . ?
F66 B6 F61 99.1(9) . . ?
F67 B6 F61 130.0(10) . . ?
F68 B6 F61 78.7(8) . . ?
F63 B6 F61 88.8(8) . . ?
F65 B6 F64 69.9(8) . . ?
F62 B6 F64 117.7(10) . . ?
F66 B6 F64 66.6(8) . . ?
F67 B6 F64 72.8(8) . . ?
F68 B6 F64 78.7(8) . . ?
F63 B6 F64 109.1(9) . . ?
F61 B6 F64 156.7(10) . . ?
F62 F61 B6 52.4(6) . . ?
F65 F62 B6 60.8(8) . . ?
F65 F62 F61 126.8(11) . . ?
B6 F62 F61 66.9(8) . . ?
F67 F63 B6 62.8(8) . . ?
B6 F64 F66 52.1(6) . . ?
B6 F64 F65 48.2(6) . . ?
F66 F64 F65 99.5(8) . . ?
B6 F64 F67 50.3(6) . . ?
F66 F64 F67 81.8(8) . . ?
F65 F64 F67 57.3(6) . . ?
F62 F65 B6 62.2(8) . . ?
F62 F65 F67 106.3(10) . . ?
B6 F65 F67 56.4(7) . . ?
F62 F65 F64 115.2(10) . . ?
B6 F65 F64 61.9(8) . . ?
F67 F65 F64 65.0(7) . . ?
F68 F66 B6 73.9(10) . . ?
F68 F66 F64 90.6(12) . . ?
B6 F66 F64 61.2(7) . . ?
F63 F67 B6 69.6(8) . . ?
F63 F67 F65 112.7(10) . . ?
B6 F67 F65 49.9(6) . . ?
F63 F67 F64 113.3(10) . . ?
B6 F67 F64 56.8(7) . . ?
F65 F67 F64 57.7(6) . . ?
F66 F68 B6 65.0(9) . . ?
F74 B7 F72 129.2(15) . . ?
F74 B7 F73 105.1(13) . . ?
F72 B7 F73 112.2(12) . . ?
F74 B7 F71 99.1(12) . . ?
F72 B7 F71 111.3(13) . . ?
F73 B7 F71 93.7(11) . . ?
F88 B8 F86 109.1(18) . . ?
F88 B8 F83 109.1(18) . . ?
F86 B8 F83 0(2) . . ?
F88 B8 F84 126(2) . . ?
F86 B8 F84 74.8(17) . . ?
F83 B8 F84 74.8(17) . . ?
F88 B8 F81 86.6(16) . . ?
F86 B8 F81 161(2) . . ?
F83 B8 F81 161(2) . . ?
F84 B8 F81 105.6(19) . . ?
F88 B8 F85 63.4(16) . . ?
F86 B8 F85 94.3(19) . . ?
F83 B8 F85 94.3(19) . . ?
F84 B8 F85 167(2) . . ?
F81 B8 F85 82.5(18) . . ?
F88 B8 F82 63.4(16) . . ?
F86 B8 F82 94.3(19) . . ?
F83 B8 F82 94.3(19) . . ?
F84 B8 F82 167(2) . . ?
F81 B8 F82 82.5(18) . . ?
F85 B8 F82 0.0(17) . . ?
F88 B8 F87 131(2) . . ?
F86 B8 F87 95.1(18) . . ?
F83 B8 F87 95.1(18) . . ?
F84 B8 F87 24.3(18) . . ?
F81 B8 F87 81.9(17) . . ?
F85 B8 F87 158(2) . . ?
F82 B8 F87 158(2) . . ?
B8 F82 F88 54.8(11) . . ?
B8 F83 F84 53.6(12) . . ?
F87 F84 B8 83(3) . . ?
F87 F84 F83 125(4) . . ?
B8 F84 F83 51.7(11) . . ?
F87 F84 F86 125(4) . . ?
B8 F84 F86 51.7(11) . . ?
F83 F84 F86 0.0(13) . . ?
B8 F85 F88 54.8(11) . . ?
B8 F86 F84 53.6(12) . . ?
F84 F87 B8 73(3) . . ?
B8 F88 F85 61.8(13) . . ?
B8 F88 F82 61.8(13) . . ?
F85 F88 F82 0.0(16) . . ?
F95 B9 F96 99.9(17) . . ?
F95 B9 F91 147.6(18) . . ?
F96 B9 F91 111.3(16) . . ?
F95 B9 F92 110.2(16) . . ?
F96 B9 F92 106.2(15) . . ?
F91 B9 F92 53.5(9) . . ?
F95 B9 F94 94.1(16) . . ?
F96 B9 F94 42.7(13) . . ?
F91 B9 F94 102.8(14) . . ?
F92 B9 F94 68.8(12) . . ?
F95 B9 F93 54.2(14) . . ?
F96 B9 F93 95.7(16) . . ?
F91 B9 F93 112.2(15) . . ?
F92 B9 F93 59.6(12) . . ?
F94 B9 F93 59.5(13) . . ?
F92 F91 B9 66.3(10) . . ?
F91 F92 B9 60.1(9) . . ?
F91 F92 F93 120.4(13) . . ?
B9 F92 F93 61.4(10) . . ?
F91 F92 F94 98.0(12) . . ?
B9 F92 F94 55.8(9) . . ?
F93 F92 F94 55.8(12) . . ?
F95 F93 F92 111.2(16) . . ?
F95 F93 F94 95.1(19) . . ?
F92 F93 F94 68.5(15) . . ?
F95 F93 B9 55.9(12) . . ?
F92 F93 B9 59.0(10) . . ?
F94 F93 B9 59.3(11) . . ?
F96 F94 B9 64.1(15) . . ?
F96 F94 F93 115(2) . . ?
B9 F94 F93 61.2(12) . . ?
F96 F94 F92 113(2) . . ?
B9 F94 F92 55.4(10) . . ?
F93 F94 F92 55.7(12) . . ?
F93 F95 B9 69.9(14) . . ?
F94 F96 B9 73.2(16) . . ?
F107 B10 F104 117.3(12) . . ?
F107 B10 F105 101.2(12) . . ?
F104 B10 F105 136.2(13) . . ?
F107 B10 F103 46.4(9) . . ?
F104 B10 F103 90.3(10) . . ?
F105 B10 F103 133.0(12) . . ?
F107 B10 F101 106.4(12) . . ?
F104 B10 F101 134.4(13) . . ?
F105 B10 F101 34.7(9) . . ?
F103 B10 F101 112.1(12) . . ?
F107 B10 F106 53.0(9) . . ?
F104 B10 F106 120.4(12) . . ?
F105 B10 F106 66.8(9) . . ?
F103 B10 F106 99.0(11) . . ?
F101 B10 F106 95.7(10) . . ?
F107 B10 F108 110.8(12) . . ?
F104 B10 F108 68.7(9) . . ?
F105 B10 F108 78.9(10) . . ?
F103 B10 F108 137.8(12) . . ?
F101 B10 F108 108.5(11) . . ?
F106 B10 F108 65.6(9) . . ?
F107 B10 F102 118.3(12) . . ?
F104 B10 F102 80.7(10) . . ?
F105 B10 F102 99.7(11) . . ?
F103 B10 F102 78.0(9) . . ?
F101 B10 F102 66.9(9) . . ?
F106 B10 F102 158.8(12) . . ?
F108 B10 F102 130.0(12) . . ?
F105 F101 B10 69.0(14) . . ?
F105 F101 F102 124.2(17) . . ?
B10 F101 F102 58.7(8) . . ?
B10 F102 F101 54.5(7) . . ?
F107 F103 B10 61.4(10) . . ?
B10 F104 F108 61.3(8) . . ?
F101 F105 B10 76.2(14) . . ?
F101 F105 F106 123.8(18) . . ?
B10 F105 F106 59.6(8) . . ?
F107 F106 B10 56.1(9) . . ?
F107 F106 F105 93.5(11) . . ?
B10 F106 F105 53.6(7) . . ?
F107 F106 F108 106.4(12) . . ?
B10 F106 F108 57.6(8) . . ?
F105 F106 F108 70.0(9) . . ?
F103 F107 F106 141.7(16) . . ?
F103 F107 B10 72.1(11) . . ?
F106 F107 B10 70.8(10) . . ?
B10 F108 F104 50.0(7) . . ?
B10 F108 F106 56.9(7) . . ?
F104 F108 F106 98.3(10) . . ?
F111 B11 F116 140.3(14) . . ?
F111 B11 F112 44.4(10) . . ?
F116 B11 F112 96.2(12) . . ?
F111 B11 F117 104.5(13) . . ?
F116 B11 F117 109.0(13) . . ?
F112 B11 F117 142.9(14) . . ?
F111 B11 F113 115.4(14) . . ?
F116 B11 F113 84.8(12) . . ?
F112 B11 F113 131.0(14) . . ?
F117 B11 F113 32.2(10) . . ?
F111 B11 F114 80.9(12) . . ?
F116 B11 F114 105.3(13) . . ?
F112 B11 F114 86.1(11) . . ?
F117 B11 F114 111.7(13) . . ?
F113 B11 F114 141.0(14) . . ?
F111 B11 F115 109.2(13) . . ?
F116 B11 F115 64.7(10) . . ?
F112 B11 F115 86.9(11) . . ?
F117 B11 F115 128.2(13) . . ?
F113 B11 F115 134.8(13) . . ?
F114 B11 F115 40.8(9) . . ?
F111 B11 F118 60.2(10) . . ?
F116 B11 F118 86.7(11) . . ?
F112 B11 F118 39.5(9) . . ?
F117 B11 F118 113.7(13) . . ?
F113 B11 F118 92.1(11) . . ?
F114 B11 F118 125.5(12) . . ?
F115 B11 F118 116.9(12) . . ?
F112 F111 B11 68.5(12) . . ?
F112 F111 F118 43.1(13) . . ?
B11 F111 F118 67.5(10) . . ?
F112 F111 F114 79.6(14) . . ?
B11 F111 F114 51.6(8) . . ?
F118 F111 F114 108.7(12) . . ?
F118 F112 F111 93.1(19) . . ?
F118 F112 B11 81.7(14) . . ?
F111 F112 B11 67.1(12) . . ?
F117 F113 B11 73.0(16) . . ?
F117 F113 F116 109.2(19) . . ?
B11 F113 F116 46.9(8) . . ?
F115 F114 B11 72.2(13) . . ?
F115 F114 F111 106.5(15) . . ?
B11 F114 F111 47.6(8) . . ?
F114 F115 B11 67.0(12) . . ?
F114 F115 F116 120.4(16) . . ?
B11 F115 F116 53.7(9) . . ?
B11 F116 F115 61.5(9) . . ?
B11 F116 F113 48.4(8) . . ?
F115 F116 F113 103.0(11) . . ?
F113 F117 B11 74.8(16) . . ?
F112 F118 F111 43.8(12) . . ?
F112 F118 B11 58.9(12) . . ?
F111 F118 B11 52.3(8) . . ?
F126 B12 F124 31.6(11) . . ?
F126 B12 F123 141.1(14) . . ?
F124 B12 F123 128.4(13) . . ?
F126 B12 F122 107.7(13) . . ?
F124 B12 F122 125.4(14) . . ?
F123 B12 F122 105.5(12) . . ?
F126 B12 F127 108.7(12) . . ?
F124 B12 F127 101.9(11) . . ?
F123 B12 F127 32.4(7) . . ?
F122 B12 F127 131.7(12) . . ?
F126 B12 F125 133.7(14) . . ?
F124 B12 F125 135.0(15) . . ?
F123 B12 F125 84.8(10) . . ?
F122 B12 F125 31.8(9) . . ?
F127 B12 F125 116.9(10) . . ?
F126 B12 F121 46.3(10) . . ?
F124 B12 F121 39.9(10) . . ?
F123 B12 F121 96.4(11) . . ?
F122 B12 F121 152.2(13) . . ?
F127 B12 F121 65.1(8) . . ?
F125 B12 F121 172.8(15) . . ?
F124 F121 F126 39.9(15) . . ?
F124 F121 B12 63.1(12) . . ?
F126 F121 B12 56.0(10) . . ?
F124 F121 F127 114.8(15) . . ?
F126 F121 F127 109.1(13) . . ?
B12 F121 F127 56.0(7) . . ?
F125 F122 B12 78.5(16) . . ?
F127 F123 B12 78.3(13) . . ?
F126 F124 F121 79(2) . . ?
F126 F124 B12 66.6(16) . . ?
F121 F124 B12 77.1(14) . . ?
F122 F125 B12 69.7(15) . . ?
F124 F126 F121 61(2) . . ?
F124 F126 B12 81.8(17) . . ?
F121 F126 B12 77.7(12) . . ?
F123 F127 B12 69.3(12) . . ?
F123 F127 F121 126.1(15) . . ?
B12 F127 F121 58.9(7) . . ?
F137 B13 F131 117.6(16) . . ?
F137 B13 F134 121.6(16) . . ?
F131 B13 F134 105.9(15) . . ?
F137 B13 F133 175.0(17) . . ?
F131 B13 F133 58.1(12) . . ?
F134 B13 F133 63.1(12) . . ?
F137 B13 F136 75.6(13) . . ?
F131 B13 F136 59.1(12) . . ?
F134 B13 F136 97.6(15) . . ?
F133 B13 F136 102.7(14) . . ?
F137 B13 F138 79.7(14) . . ?
F131 B13 F138 144.1(16) . . ?
F134 B13 F138 43.8(12) . . ?
F133 B13 F138 105.2(15) . . ?
F136 B13 F138 100.2(15) . . ?
F137 B13 F135 86.0(14) . . ?
F131 B13 F135 117.2(16) . . ?
F134 B13 F135 38.1(12) . . ?
F133 B13 F135 98.1(15) . . ?
F136 B13 F135 75.3(13) . . ?
F138 B13 F135 28.2(13) . . ?
F137 B13 F132 106.3(15) . . ?
F131 B13 F132 21.5(13) . . ?
F134 B13 F132 100.2(15) . . ?
F133 B13 F132 70.4(13) . . ?
F136 B13 F132 38.3(12) . . ?
F138 B13 F132 127.9(16) . . ?
F135 B13 F132 99.7(15) . . ?
F132 F131 F133 116(4) . . ?
F132 F131 B13 89(3) . . ?
F133 F131 B13 62.7(11) . . ?
F132 F131 F136 29(3) . . ?
F133 F131 F136 108.4(17) . . ?
B13 F131 F136 62.1(12) . . ?
F131 F132 F136 135(4) . . ?
F131 F132 B13 70(3) . . ?
F136 F132 B13 68.2(15) . . ?
F131 F132 F133 47(3) . . ?
F136 F132 F133 113(2) . . ?
B13 F132 F133 53.5(9) . . ?
F131 F133 B13 59.2(11) . . ?
F131 F133 F134 103.2(16) . . ?
B13 F133 F134 58.3(10) . . ?
F131 F133 F132 16.9(13) . . ?
B13 F133 F132 56.1(10) . . ?
F134 F133 F132 89.1(14) . . ?
F135 F134 F138 40(2) . . ?
F135 F134 B13 72.0(16) . . ?
F138 F134 B13 68.6(14) . . ?
F135 F134 F133 125(2) . . ?
F138 F134 F133 124.6(19) . . ?
B13 F134 F133 58.5(10) . . ?
F138 F135 F134 80(3) . . ?
F138 F135 B13 75(2) . . ?
F134 F135 B13 69.9(16) . . ?
F138 F135 F136 121(3) . . ?
F134 F135 F136 102(2) . . ?
B13 F135 F136 52.0(10) . . ?
F132 F136 F131 16.1(15) . . ?
F132 F136 B13 73.5(16) . . ?
F131 F136 B13 58.8(11) . . ?
F132 F136 F137 114(2) . . ?
F131 F136 F137 97.8(14) . . ?
B13 F136 F137 50.3(9) . . ?
F132 F136 F135 107(2) . . ?
F131 F136 F135 99.7(14) . . ?
B13 F136 F135 52.8(9) . . ?
F137 F136 F135 67.0(11) . . ?
B13 F137 F136 54.1(10) . . ?
B13 F137 F138 52.1(9) . . ?
F136 F137 F138 77.8(12) . . ?
F135 F138 F134 60(3) . . ?
F135 F138 B13 77(2) . . ?
F134 F138 B13 67.7(14) . . ?
F135 F138 F137 89(3) . . ?
F134 F138 F137 114.1(18) . . ?
B13 F138 F137 48.2(9) . . ?
F194 B19 F191 56.0(15) . . ?
F194 B19 F193 76.0(16) . . ?
F191 B19 F193 35.8(15) . . ?
F194 B19 F192 117(2) . . ?
F191 B19 F192 172(2) . . ?
F193 B19 F192 150(3) . . ?
F193 F191 F194 104(3) . . ?
F193 F191 B19 74.1(19) . . ?
F194 F191 B19 61.6(14) . . ?
F191 F193 B19 70.1(18) . . ?
F191 F193 F194 47(2) . . ?
B19 F193 F194 51.0(12) . . ?
F191 F194 B19 62.3(13) . . ?
F191 F194 F193 29.2(15) . . ?
B19 F194 F193 53.1(11) . . ?
F155 B15 F158 106.8(12) . . ?
F155 B15 F154 117.2(13) . . ?
F158 B15 F154 40.3(9) . . ?
F155 B15 F156 106.7(12) . . ?
F158 B15 F156 145.8(13) . . ?
F154 B15 F156 124.1(12) . . ?
F155 B15 F157 36.0(9) . . ?
F158 B15 F157 82.3(10) . . ?
F154 B15 F157 112.4(12) . . ?
F156 B15 F157 123.4(12) . . ?
F155 B15 F151 105.2(11) . . ?
F158 B15 F151 95.4(11) . . ?
F154 B15 F151 124.4(13) . . ?
F156 B15 F151 69.5(10) . . ?
F157 B15 F151 81.9(10) . . ?
F155 B15 F153 92.7(11) . . ?
F158 B15 F153 109.4(11) . . ?
F154 B15 F153 70.1(9) . . ?
F156 B15 F153 75.3(10) . . ?
F157 B15 F153 126.2(12) . . ?
F151 B15 F153 143.8(12) . . ?
F155 B15 F152 84.3(10) . . ?
F158 B15 F152 83.1(10) . . ?
F154 B15 F152 122.1(12) . . ?
F156 B15 F152 93.9(11) . . ?
F157 B15 F152 54.9(8) . . ?
F151 B15 F152 28.5(9) . . ?
F153 B15 F152 167.4(13) . . ?
F152 F151 B15 77.2(17) . . ?
F152 F151 F156 122(2) . . ?
B15 F151 F156 54.1(8) . . ?
F151 F152 F157 131(2) . . ?
F151 F152 B15 74.3(16) . . ?
F157 F152 B15 61.4(9) . . ?
B15 F153 F154 52.4(7) . . ?
F158 F154 B15 68.6(12) . . ?
F158 F154 F153 124.6(15) . . ?
B15 F154 F153 57.5(8) . . ?
F157 F155 B15 79.4(14) . . ?
B15 F156 F151 56.3(8) . . ?
F155 F157 F152 115.5(19) . . ?
F155 F157 B15 64.7(13) . . ?
F152 F157 B15 63.7(9) . . ?
F154 F158 B15 71.1(12) . . ?
F168 B16 F167 168.6(19) . . ?
F168 B16 F162 83.0(15) . . ?
F167 B16 F162 108.3(17) . . ?
F168 B16 F165 159(2) . . ?
F167 B16 F165 26.7(14) . . ?
F162 B16 F165 88.0(16) . . ?
F168 B16 F164 159(2) . . ?
F167 B16 F164 26.7(14) . . ?
F162 B16 F164 88.0(16) . . ?
F165 B16 F164 0.0(14) . . ?
F168 B16 F161 25.3(15) . . ?
F167 B16 F161 166.0(19) . . ?
F162 B16 F161 57.7(14) . . ?
F165 B16 F161 141.6(18) . . ?
F164 B16 F161 141.6(18) . . ?
F168 B16 F163 25.3(15) . . ?
F167 B16 F163 166.0(19) . . ?
F162 B16 F163 57.7(14) . . ?
F165 B16 F163 141.6(18) . . ?
F164 B16 F163 141.6(18) . . ?
F161 B16 F163 0.0(16) . . ?
F168 B16 F166 121.0(17) . . ?
F167 B16 F166 70.3(15) . . ?
F162 B16 F166 38.0(14) . . ?
F165 B16 F166 51.9(14) . . ?
F164 B16 F166 51.9(14) . . ?
F161 B16 F166 95.7(17) . . ?
F163 B16 F166 95.7(17) . . ?
F168 F161 F162 131(3) . . ?
F168 F161 B16 71(2) . . ?
F162 F161 B16 60.2(12) . . ?
F166 F162 F163 137(2) . . ?
F166 F162 F161 137(2) . . ?
F163 F162 F161 0.0(16) . . ?
F166 F162 B16 74.9(18) . . ?
F163 F162 B16 62.1(12) . . ?
F161 F162 B16 62.1(12) . . ?
F168 F163 F162 131(3) . . ?
F168 F163 B16 71(2) . . ?
F162 F163 B16 60.2(12) . . ?
F167 F164 F166 114(4) . . ?
F167 F164 B16 73(2) . . ?
F166 F164 B16 65.7(14) . . ?
F167 F165 F166 114(4) . . ?
F167 F165 B16 73(2) . . ?
F166 F165 B16 65.7(14) . . ?
F162 F166 F165 125(2) . . ?
F162 F166 F164 125(2) . . ?
F165 F166 F164 0.0(19) . . ?
F162 F166 B16 67.1(16) . . ?
F165 F166 B16 62.4(13) . . ?
F164 F166 B16 62.4(13) . . ?
F162 F166 F167 120(2) . . ?
F165 F166 F167 21.2(15) . . ?
F164 F166 F167 21.2(15) . . ?
B16 F166 F167 52.4(10) . . ?
F165 F167 F164 0(3) . . ?
F165 F167 B16 81(2) . . ?
F164 F167 B16 81(2) . . ?
F165 F167 F166 45(3) . . ?
F164 F167 F166 45(3) . . ?
B16 F167 F166 57.4(11) . . ?
F163 F168 F161 0(4) . . ?
F163 F168 B16 84(3) . . ?
F161 F168 B16 84(3) . . ?
O800 C800 C801 45.1(19) . . ?
C800 O800 C801 95(3) . . ?
C800 O800 C802 145(3) . . ?
C801 O800 C802 52.4(16) . . ?
O800 C801 C802 86(2) . . ?
O800 C801 C800 40.3(17) . . ?
C802 C801 C800 125(3) . . ?
C801 C802 O800 42.1(14) . . ?
C801 C802 C803 146(2) . . ?
O800 C802 C803 168.9(19) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C49A C11H C10H C132 3.4(15) . . . . ?
C166 C11H C10H C132 -166.8(8) . . . . ?
C149 C11H C10H C132 6.1(15) . . . . ?
C66A C11H C10H C132 175.9(7) . . . . ?
C49A C11H C10H C115 -173.9(8) . . . . ?
C166 C11H C10H C115 15.8(14) . . . . ?
C149 C11H C10H C115 -171.2(8) . . . . ?
C66A C11H C10H C115 -1.4(13) . . . . ?
C102 C101 N101 C105 -41.3(15) . . . . ?
C102 C101 N101 Zn5 149.7(7) . . . 2_545 ?
N101 C101 C102 C103 40.9(14) . . . . ?
C101 C102 C103 C104 -16.9(19) . . . . ?
C102 C103 C104 C105 -13(2) . . . . ?
C101 N101 C105 C106 -151.7(10) . . . . ?
Zn5 N101 C105 C106 17.3(15) 2_545 . . . ?
C101 N101 C105 C104 16(2) . . . . ?
Zn5 N101 C105 C104 -175.1(10) 2_545 . . . ?
C103 C104 C105 N101 15(2) . . . . ?
C103 C104 C105 C106 -179.7(13) . . . . ?
C02A C101 N01A C05A 26.6(16) . . . . ?
C02A C101 N01A Zn5 176.5(9) . . . 2_545 ?
N01A C101 C02A C03A -29.0(17) . . . . ?
C101 C02A C03A C04A 49.3(16) . . . . ?
C02A C03A C04A C05A -66.3(16) . . . . ?
C101 N01A C05A C04A -44.5(17) . . . . ?
Zn5 N01A C05A C04A 164.0(10) 2_545 . . . ?
C101 N01A C05A C106 156.4(9) . . . . ?
Zn5 N01A C05A C106 4.9(16) 2_545 . . . ?
C03A C04A C05A N01A 64.9(17) . . . . ?
C03A C04A C05A C106 -140.3(14) . . . . ?
C110 N102 C106 C107 5.2(11) . . . . ?
Zn5 N102 C106 C107 -171.4(6) 2_545 . . . ?
C110 N102 C106 C105 -162.0(9) . . . . ?
Zn5 N102 C106 C105 21.5(11) 2_545 . . . ?
C110 N102 C106 C05A 168.0(8) . . . . ?
Zn5 N102 C106 C05A -8.6(11) 2_545 . . . ?
N101 C105 C106 C107 168.5(10) . . . . ?
C104 C105 C106 C107 2(2) . . . . ?
N101 C105 C106 N102 -25.3(16) . . . . ?
C104 C105 C106 N102 167.9(12) . . . . ?
N01A C05A C106 C107 164.2(10) . . . . ?
C04A C05A C106 C107 8(2) . . . . ?
N01A C05A C106 N102 2.7(16) . . . . ?
C04A C05A C106 N102 -153.7(13) . . . . ?
N102 C106 C107 C108 2.0(15) . . . . ?
C105 C106 C107 C108 168.6(11) . . . . ?
C05A C106 C107 C108 -159.9(11) . . . . ?
C106 C107 C108 C109 -12.6(15) . . . . ?
C107 C108 C109 N103 -174.5(8) . . . . ?
C107 C108 C109 C110 14.6(11) . . . . ?
C106 N102 C110 C109 -1.4(10) . . . . ?
Zn5 N102 C110 C109 174.7(5) 2_545 . . . ?
N103 C109 C110 N102 179.5(6) . . . . ?
C108 C109 C110 N102 -8.3(10) . . . . ?
C110 C109 N103 C111 159.3(6) . . . . ?
C108 C109 N103 C111 -11.2(12) . . . . ?
C109 N103 C111 O101 0.2(12) . . . . ?
C109 N103 C111 O01A 11.1(12) . . . . ?
C109 N103 C111 C112 174.9(6) . . . . ?
O101 C111 C112 C117 163.1(11) . . . . ?
N103 C111 C112 C117 -11.2(13) . . . . ?
O01A C111 C112 C117 145.3(14) . . . . ?
O101 C111 C112 C113 -24.4(11) . . . . ?
N103 C111 C112 C113 161.3(6) . . . . ?
O01A C111 C112 C113 -42.2(15) . . . . ?
C117 C112 C113 C114 -5.3(10) . . . . ?
C111 C112 C113 C114 -179.8(6) . . . . ?
C112 C113 C114 C115 -1.9(10) . . . . ?
C113 C114 C115 C116 5.9(13) . . . . ?
C113 C114 C115 C10H -174.8(6) . . . . ?
C11H C10H C115 C116 56.3(13) . . . . ?
C132 C10H C115 C116 -121.5(9) . . . . ?
C11H C10H C115 C114 -123.0(9) . . . . ?
C132 C10H C115 C114 59.3(9) . . . . ?
C114 C115 C116 C117 -2.1(12) . . . . ?
C10H C115 C116 C117 178.7(7) . . . . ?
C113 C112 C117 C116 11.2(14) . . . . ?
C111 C112 C117 C116 -177.2(9) . . . . ?
C115 C116 C117 C112 -7.1(14) . . . . ?
C122 N104 C118 C119 -0.3(10) . . . . ?
Zn3 N104 C118 C119 172.1(5) 2_545 . . . ?
N104 C118 C119 C120 1.7(10) . . . . ?
C118 C119 C120 C121 -4.7(11) . . . . ?
C119 C120 C121 C122 6.0(11) . . . . ?
C118 N104 C122 C123 178.3(6) . . . . ?
Zn3 N104 C122 C123 5.5(8) 2_545 . . . ?
C118 N104 C122 C121 1.9(11) . . . . ?
Zn3 N104 C122 C121 -170.9(5) 2_545 . . . ?
C120 C121 C122 N104 -4.7(10) . . . . ?
C120 C121 C122 C123 178.9(6) . . . . ?
C127 N105 C123 C122 177.8(5) . . . . ?
Zn3 N105 C123 C122 1.4(7) 2_545 . . . ?
C127 N105 C123 C124 0.2(8) . . . . ?
Zn3 N105 C123 C124 -176.1(4) 2_545 . . . ?
N104 C122 C123 N105 -4.8(9) . . . . ?
C121 C122 C123 N105 171.7(6) . . . . ?
N104 C122 C123 C124 172.5(6) . . . . ?
C121 C122 C123 C124 -11.0(10) . . . . ?
C123 N105 C127 C126 -0.5(9) . . . . ?
Zn3 N105 C127 C126 175.4(4) 2_545 . . . ?
N105 C127 C126 N106 178.3(5) . . . . ?
N105 C127 C126 C125 0.9(9) . . . . ?
C127 C126 C125 C124 -1.1(9) . . . . ?
N106 C126 C125 C124 -178.3(6) . . . . ?
C126 C125 C124 C123 1.0(9) . . . . ?
N105 C123 C124 C125 -0.6(10) . . . . ?
C122 C123 C124 C125 -177.8(6) . . . . ?
C127 C126 N106 C128 170.1(7) . . . . ?
C125 C126 N106 C128 -12.6(11) . . . . ?
C126 N106 C128 O102 2.3(12) . . . . ?
C126 N106 C128 C129 -179.9(6) . . . . ?
O102 C128 C129 C134 -30.1(10) . . . . ?
N106 C128 C129 C134 152.1(7) . . . . ?
O102 C128 C129 C130 148.7(7) . . . . ?
N106 C128 C129 C130 -29.1(10) . . . . ?
C134 C129 C130 C131 -1.5(11) . . . . ?
C128 C129 C130 C131 179.7(6) . . . . ?
C129 C130 C131 C132 -5.3(11) . . . . ?
C130 C131 C132 C133 10.1(12) . . . . ?
C130 C131 C132 C10H -171.8(7) . . . . ?
C11H C10H C132 C131 -124.1(10) . . . . ?
C115 C10H C132 C131 53.4(10) . . . . ?
C11H C10H C132 C133 54.2(12) . . . . ?
C115 C10H C132 C133 -128.3(7) . . . . ?
C131 C132 C133 C134 -7.9(12) . . . . ?
C10H C132 C133 C134 173.8(6) . . . . ?
C130 C129 C134 C133 3.8(10) . . . . ?
C128 C129 C134 C133 -177.4(6) . . . . ?
C132 C133 C134 C129 0.5(10) . . . . ?
C139 N107 C135 C136 -2.7(9) . . . . ?
Zn2 N107 C135 C136 177.6(5) 2_545 . . . ?
N107 C135 C136 C137 7.3(10) . . . . ?
C135 C136 C137 C138 -5.4(10) . . . . ?
C136 C137 C138 C139 0.1(11) . . . . ?
C135 N107 C139 C140 179.3(5) . . . . ?
Zn2 N107 C139 C140 -1.0(7) 2_545 . . . ?
C135 N107 C139 C138 -3.0(9) . . . . ?
Zn2 N107 C139 C138 176.8(5) 2_545 . . . ?
C137 C138 C139 N107 4.4(11) . . . . ?
C137 C138 C139 C140 -178.0(7) . . . . ?
C144 N108 C140 C141 4.2(9) . . . . ?
Zn2 N108 C140 C141 -173.5(5) 2_545 . . . ?
C144 N108 C140 C139 -176.3(5) . . . . ?
Zn2 N108 C140 C139 6.0(7) 2_545 . . . ?
N107 C139 C140 N108 -3.5(9) . . . . ?
C138 C139 C140 N108 178.8(6) . . . . ?
N107 C139 C140 C141 176.0(6) . . . . ?
C138 C139 C140 C141 -1.8(11) . . . . ?
N108 C140 C141 C142 -4.5(10) . . . . ?
C139 C140 C141 C142 176.0(6) . . . . ?
C140 C141 C142 C143 4.6(11) . . . . ?
C141 C142 C143 C144 -3.5(9) . . . . ?
C141 C142 C143 N109 178.8(6) . . . . ?
C140 N108 C144 C143 -3.9(9) . . . . ?
Zn2 N108 C144 C143 173.6(4) 2_545 . . . ?
C142 C143 C144 N108 3.2(8) . . . . ?
N109 C143 C144 N108 -178.9(5) . . . . ?
C144 C143 N109 C45A 151.4(8) . . . . ?
C142 C143 N109 C45A -31.2(11) . . . . ?
C144 C143 N109 C145 -26.6(9) . . . . ?
C142 C143 N109 C145 150.8(7) . . . . ?
C143 N109 C145 O103 3(2) . . . . ?
C143 N109 C145 C146 -178.8(6) . . . . ?
C150 C151 C146 C147 -5.5(15) . . . . ?
C150 C151 C146 C145 -167.3(12) . . . . ?
O103 C145 C146 C151 155(2) . . . . ?
N109 C145 C146 C151 -23.4(15) . . . . ?
O103 C145 C146 C147 -8(3) . . . . ?
N109 C145 C146 C147 174.2(9) . . . . ?
C151 C146 C147 C148 4.4(17) . . . . ?
C145 C146 C147 C148 171.4(11) . . . . ?
C146 C147 C148 C149 -4.9(19) . . . . ?
C147 C148 C149 C150 6.4(19) . . . . ?
C147 C148 C149 C11H 177.8(10) . . . . ?
C10H C11H C149 C150 -133.7(13) . . . . ?
C166 C11H C149 C150 39.9(16) . . . . ?
C10H C11H C149 C148 55.7(16) . . . . ?
C166 C11H C149 C148 -130.7(11) . . . . ?
C148 C149 C150 C151 -7.6(19) . . . . ?
C11H C149 C150 C151 -178.2(9) . . . . ?
C146 C151 C150 C149 7.8(16) . . . . ?
C143 N109 C45A O3AA 27.4(15) . . . . ?
C143 N109 C45A C151 -170.2(5) . . . . ?
C143 N109 C45A O03A -9.8(17) . . . . ?
C51A C151 C45A N109 161.1(9) . . . . ?
C47A C151 C45A N109 -21.7(12) . . . . ?
C51A C151 C45A O3AA -37.5(15) . . . . ?
C47A C151 C45A O3AA 139.7(12) . . . . ?
C51A C151 C45A O03A -1.4(14) . . . . ?
C47A C151 C45A O03A 175.8(11) . . . . ?
N109 C45A O3AA O03A -112.7(17) . . . . ?
C151 C45A O3AA O03A 90.0(18) . . . . ?
N109 C45A O03A O3AA 91.2(18) . . . . ?
C151 C45A O03A O3AA -112.2(16) . . . . ?
C51A C151 C47A C48A 4.3(18) . . . . ?
C45A C151 C47A C48A -171.9(9) . . . . ?
C151 C47A C48A C49A 8.5(18) . . . . ?
C10H C11H C49A C50A -123.1(11) . . . . ?
C66A C11H C49A C50A 63.8(12) . . . . ?
C10H C11H C49A C48A 59(2) . . . . ?
C66A C11H C49A C48A -113.8(18) . . . . ?
C47A C48A C49A C50A -13.1(19) . . . . ?
C47A C48A C49A C11H 164.4(15) . . . . ?
C11H C49A C50A C51A -171.0(12) . . . . ?
C48A C49A C50A C51A 7(2) . . . . ?
C47A C151 C51A C50A -9.3(18) . . . . ?
C45A C151 C51A C50A 167.2(9) . . . . ?
C49A C50A C51A C151 2(2) . . . . ?
C156 N110 C152 C153 0.0 . . . . ?
Zn7 N110 C152 C153 175.3(2) 2_545 . . . ?
N110 C152 C153 C154 0.0 . . . . ?
C152 C153 C154 C155 0.0 . . . . ?
C153 C154 C155 C156 0.0 . . . . ?
C154 C155 C156 N110 0.0 . . . . ?
C154 C155 C156 C157 178.2(3) . . . . ?
C152 N110 C156 C155 0.0 . . . . ?
Zn7 N110 C156 C155 -175.88(17) 2_545 . . . ?
C152 N110 C156 C157 -178.2(3) . . . . ?
Zn7 N110 C156 C157 5.9(3) 2_545 . . . ?
C161 N111 C157 C158 0.0 . . . . ?
Zn7 N111 C157 C158 -163.70(17) 2_545 . . . ?
C161 N111 C157 C156 179.0(3) . . . . ?
Zn7 N111 C157 C156 15.3(3) 2_545 . . . ?
C155 C156 C157 N111 167.85(17) . . . . ?
N110 C156 C157 N111 -14.0(4) . . . . ?
C155 C156 C157 C158 -13.3(3) . . . . ?
N110 C156 C157 C158 164.92(19) . . . . ?
N111 C157 C158 C159 0.0 . . . . ?
C156 C157 C158 C159 -178.8(4) . . . . ?
C157 C158 C159 C160 0.0 . . . . ?
C158 C159 C160 C161 0.0 . . . . ?
C158 C159 C160 N112 -176.3(4) . . . . ?
C159 C160 C161 N111 0.0 . . . . ?
N112 C160 C161 N111 176.3(4) . . . . ?
C157 N111 C161 C160 0.0 . . . . ?
Zn7 N111 C161 C160 162.63(17) 2_545 . . . ?
C161 C160 N112 C162 146.1(6) . . . . ?
C159 C160 N112 C162 -37.6(8) . . . . ?
C161 C160 N112 C62A -14.2(9) . . . . ?
C159 C160 N112 C62A 162.1(8) . . . . ?
C160 N112 C162 O104 7.8(13) . . . . ?
C160 N112 C162 C163 -176.2(5) . . . . ?
C164 C163 C162 O104 159.5(8) . . . . ?
C168 C163 C162 O104 -14.0(11) . . . . ?
C164 C163 C162 N112 -16.7(11) . . . . ?
C168 C163 C162 N112 169.8(7) . . . . ?
C168 C163 C164 C165 -24.2(14) . . . . ?
C162 C163 C164 C165 163.1(8) . . . . ?
C163 C164 C165 C166 28.5(15) . . . . ?
C10H C11H C166 C165 -137.1(11) . . . . ?
C149 C11H C166 C165 49.2(13) . . . . ?
C10H C11H C166 C167 48.6(16) . . . . ?
C149 C11H C166 C167 -125.1(11) . . . . ?
C164 C165 C166 C11H 165.4(10) . . . . ?
C164 C165 C166 C167 -19.9(16) . . . . ?
C11H C166 C167 C168 179.3(10) . . . . ?
C165 C166 C167 C168 5.1(16) . . . . ?
C164 C163 C168 C167 9.5(14) . . . . ?
C162 C163 C168 C167 -177.4(8) . . . . ?
C166 C167 C168 C163 0.3(15) . . . . ?
C160 N112 C62A O04A 2(3) . . . . ?
C160 N112 C62A C63A -178.0(6) . . . . ?
C67A C163 C63A C64A 8.5(14) . . . . ?
C67A C163 C63A C62A -167.3(10) . . . . ?
O04A C62A C63A C163 156.8(11) . . . . ?
N112 C62A C63A C163 -22.9(14) . . . . ?
O04A C62A C63A C64A -19.2(18) . . . . ?
N112 C62A C63A C64A 161.1(10) . . . . ?
C163 C63A C64A C65A 1.9(19) . . . . ?
C62A C63A C64A C65A 178.2(12) . . . . ?
C63A C64A C65A C66A -15.3(18) . . . . ?
C64A C65A C66A C67A 18.6(16) . . . . ?
C64A C65A C66A C11H -152.1(9) . . . . ?
C10H C11H C66A C65A -121.7(10) . . . . ?
C49A C11H C66A C65A 51.4(11) . . . . ?
C10H C11H C66A C67A 69.1(15) . . . . ?
C49A C11H C66A C67A -117.8(12) . . . . ?
C65A C66A C67A C163 -9.2(15) . . . . ?
C11H C66A C67A C163 158.6(9) . . . . ?
C63A C163 C67A C66A -4.5(13) . . . . ?
C217 C20G C21G C249 179.3(7) . . . . ?
C232 C20G C21G C249 3.0(12) . . . . ?
C217 C20G C21G C266 -6.3(13) . . . . ?
C232 C20G C21G C266 177.4(5) . . . . ?
C201 N201 C205 C204 0.6(10) . . . . ?
Zn5 N201 C205 C204 -159.7(6) 2_545 . . . ?
C01B N201 C205 C04B -27.9(15) . . . . ?
Zn5 N201 C205 C04B 153.9(8) 2_545 . . . ?
C01B N201 C205 C206 -170.6(11) . . . . ?
C201 N201 C205 C206 171.5(6) . . . . ?
Zn5 N201 C205 C206 11.2(7) 2_545 . . . ?
C205 N201 C201 C202 1.8(12) . . . . ?
Zn5 N201 C201 C202 159.1(7) 2_545 . . . ?
N201 C201 C202 C203 -2.1(14) . . . . ?
C201 C202 C203 C204 0.0(15) . . . . ?
N201 C205 C204 C203 -2.5(12) . . . . ?
C206 C205 C204 C203 -172.5(7) . . . . ?
C202 C203 C204 C205 2.2(14) . . . . ?
C205 N201 C01B C02B 8(2) . . . . ?
Zn5 N201 C01B C02B -173.8(11) 2_545 . . . ?
N201 C01B C02B C03B 6(3) . . . . ?
C01B C02B C03B C04B 3(3) . . . . ?
N201 C205 C04B C03B 38.5(18) . . . . ?
C206 C205 C04B C03B 174.8(12) . . . . ?
C02B C03B C04B C205 -29(2) . . . . ?
C210 N202 C206 C207 3.1(10) . . . . ?
Zn5 N202 C206 C207 -166.5(6) 2_545 . . . ?
C210 N202 C206 C205 179.5(5) . . . . ?
Zn5 N202 C206 C205 9.9(8) 2_545 . . . ?
N201 C205 C206 N202 -13.9(9) . . . . ?
C204 C205 C206 N202 157.2(7) . . . . ?
C04B C205 C206 N202 -148.1(10) . . . . ?
N201 C205 C206 C207 163.0(6) . . . . ?
C204 C205 C206 C207 -26.0(10) . . . . ?
C04B C205 C206 C207 28.8(13) . . . . ?
N202 C206 C207 C208 -6.6(11) . . . . ?
C205 C206 C207 C208 177.0(5) . . . . ?
C206 C207 C208 C209 4.0(9) . . . . ?
C207 C208 C209 C210 1.2(9) . . . . ?
C207 C208 C209 N203 177.1(5) . . . . ?
C208 C209 C210 N202 -5.3(10) . . . . ?
N203 C209 C210 N202 178.8(5) . . . . ?
C206 N202 C210 C209 3.3(9) . . . . ?
Zn5 N202 C210 C209 171.9(5) 2_545 . . . ?
C210 C209 N203 C211 161.4(6) . . . . ?
C208 C209 N203 C211 -14.4(9) . . . . ?
C209 N203 C211 O201 -7.3(10) . . . . ?
C209 N203 C211 C212 -170.7(5) . . . . ?
C209 N203 C211 O01B 53.6(10) . . . . ?
N203 C211 O201 O01B 102.0(9) . . . . ?
C212 C211 O201 O01B -94.5(8) . . . . ?
N203 C211 O01B O201 -114.5(8) . . . . ?
C212 C211 O01B O201 107.1(7) . . . . ?
N203 C211 C212 C213 -31.2(8) . . . . ?
O201 C211 C212 C213 163.3(6) . . . . ?
O01B C211 C212 C213 109.4(7) . . . . ?
N203 C211 C212 C214 148.4(6) . . . . ?
O201 C211 C212 C214 -17.0(9) . . . . ?
O01B C211 C212 C214 -70.9(9) . . . . ?
C214 C212 C213 C216 4.5(9) . . . . ?
C211 C212 C213 C216 -175.8(5) . . . . ?
C213 C212 C214 C215 -5.0(11) . . . . ?
C211 C212 C214 C215 175.4(6) . . . . ?
C212 C214 C215 C217 2.6(10) . . . . ?
C212 C213 C216 C217 -2.7(9) . . . . ?
C214 C215 C217 C216 -0.5(10) . . . . ?
C214 C215 C217 C20G -178.4(5) . . . . ?
C213 C216 C217 C215 0.8(10) . . . . ?
C213 C216 C217 C20G 178.4(6) . . . . ?
C21G C20G C217 C215 55.0(12) . . . . ?
C232 C20G C217 C215 -128.7(6) . . . . ?
C21G C20G C217 C216 -123.0(11) . . . . ?
C232 C20G C217 C216 53.4(8) . . . . ?
C222 N204 C218 C219 8.4(11) . . . . ?
Zn6 N204 C218 C219 180.0(7) 2_545 . . . ?
N204 C218 C219 C220 -7.3(12) . . . . ?
C218 C219 C220 C221 4.8(11) . . . . ?
C219 C220 C221 C222 -4.8(12) . . . . ?
C220 C221 C222 N204 6.4(12) . . . . ?
C220 C221 C222 C223 178.4(7) . . . . ?
C218 N204 C222 C221 -7.4(10) . . . . ?
Zn6 N204 C222 C221 -179.6(6) 2_545 . . . ?
C218 N204 C222 C223 179.1(5) . . . . ?
Zn6 N204 C222 C223 6.9(7) 2_545 . . . ?
C227 N205 C223 C224 -1.6(10) . . . . ?
Zn6 N205 C223 C224 -174.1(6) 2_545 . . . ?
C227 N205 C223 C222 -174.9(6) . . . . ?
Zn6 N205 C223 C222 12.6(8) 2_545 . . . ?
C221 C222 C223 N205 173.1(7) . . . . ?
N204 C222 C223 N205 -13.4(9) . . . . ?
C221 C222 C223 C224 -1.1(11) . . . . ?
N204 C222 C223 C224 172.5(6) . . . . ?
N205 C223 C224 C226 1.4(10) . . . . ?
C222 C223 C224 C226 175.7(6) . . . . ?
N206 C225 C226 C224 -176.7(6) . . . . ?
C227 C225 C226 C224 2.8(9) . . . . ?
C223 C224 C226 C225 -2.2(10) . . . . ?
C223 N205 C227 C225 2.4(9) . . . . ?
Zn6 N205 C227 C225 173.6(4) 2_545 . . . ?
C226 C225 C227 N205 -3.0(9) . . . . ?
N206 C225 C227 N205 176.6(5) . . . . ?
C226 C225 N206 C228 150.6(8) . . . . ?
C227 C225 N206 C228 -28.9(10) . . . . ?
C225 N206 C228 O202 0.1(12) . . . . ?
C225 N206 C228 C229 -175.3(6) . . . . ?
N206 C228 C229 C234 172.5(8) . . . . ?
O202 C228 C229 C234 -3.6(11) . . . . ?
N206 C228 C229 C230 -10.7(10) . . . . ?
O202 C228 C229 C230 173.2(5) . . . . ?
C234 C229 C230 C231 1.3(9) . . . . ?
C228 C229 C230 C231 -176.0(5) . . . . ?
C229 C230 C231 C232 0.6(8) . . . . ?
C230 C231 C232 C233 -5.0(8) . . . . ?
C230 C231 C232 C20G -178.4(5) . . . . ?
C21G C20G C232 C231 -127.2(7) . . . . ?
C217 C20G C232 C231 55.2(7) . . . . ?
C21G C20G C232 C233 60.1(9) . . . . ?
C217 C20G C232 C233 -117.4(6) . . . . ?
C231 C232 C233 C234 8.5(9) . . . . ?
C20G C232 C233 C234 -178.5(6) . . . . ?
C230 C229 C234 C233 2.5(12) . . . . ?
C228 C229 C234 C233 179.1(7) . . . . ?
C232 C233 C234 C229 -7.7(12) . . . . ?
C239 N207 C235 C236 1.9(9) . . . . ?
Zn4 N207 C235 C236 -179.1(5) 2_545 . . . ?
N207 C235 C236 C237 -0.4(14) . . . . ?
C235 C236 C237 C238 -0.2(14) . . . . ?
C236 C237 C238 C239 -0.6(10) . . . . ?
C235 N207 C239 C238 -2.8(9) . . . . ?
Zn4 N207 C239 C238 178.0(5) 2_545 . . . ?
C235 N207 C239 C240 177.8(5) . . . . ?
Zn4 N207 C239 C240 -1.4(7) 2_545 . . . ?
C237 C238 C239 N207 2.3(10) . . . . ?
C237 C238 C239 C240 -178.3(6) . . . . ?
C244 N208 C240 C241 4.3(7) . . . . ?
Zn4 N208 C240 C241 178.4(4) 2_545 . . . ?
C244 N208 C240 C239 -179.4(4) . . . . ?
Zn4 N208 C240 C239 -5.3(6) 2_545 . . . ?
N207 C239 C240 N208 4.5(8) . . . . ?
C238 C239 C240 N208 -174.9(5) . . . . ?
N207 C239 C240 C241 -179.5(6) . . . . ?
C238 C239 C240 C241 1.1(9) . . . . ?
N208 C240 C241 C242 -3.6(8) . . . . ?
C239 C240 C241 C242 -179.4(5) . . . . ?
C240 C241 C242 C243 1.6(8) . . . . ?
C245 N209 C243 C244 147.4(6) . . . . ?
C245 N209 C243 C242 -30.2(9) . . . . ?
C241 C242 C243 N209 177.3(5) . . . . ?
C241 C242 C243 C244 -0.4(8) . . . . ?
C240 N208 C244 C243 -3.3(7) . . . . ?
Zn4 N208 C244 C243 -176.6(4) 2_545 . . . ?
N209 C243 C244 N208 -176.5(4) . . . . ?
C242 C243 C244 N208 1.2(8) . . . . ?
C243 N209 C245 O203 1.8(9) . . . . ?
C243 N209 C245 C246 -179.9(5) . . . . ?
O203 C245 C246 C251 -18.9(9) . . . . ?
N209 C245 C246 C251 162.8(5) . . . . ?
O203 C245 C246 C247 162.7(6) . . . . ?
N209 C245 C246 C247 -15.5(9) . . . . ?
C251 C246 C247 C248 -3.0(9) . . . . ?
C245 C246 C247 C248 175.4(6) . . . . ?
C246 C247 C248 C249 1.5(10) . . . . ?
C247 C248 C249 C250 -0.4(10) . . . . ?
C247 C248 C249 C21G -174.6(6) . . . . ?
C20G C21G C249 C248 -132.7(9) . . . . ?
C266 C21G C249 C248 53.2(9) . . . . ?
C20G C21G C249 C250 53.3(12) . . . . ?
C266 C21G C249 C250 -120.8(7) . . . . ?
C248 C249 C250 C251 1.0(9) . . . . ?
C21G C249 C250 C251 175.2(6) . . . . ?
C249 C250 C251 C246 -2.7(9) . . . . ?
C247 C246 C251 C250 3.5(8) . . . . ?
C245 C246 C251 C250 -175.0(5) . . . . ?
C256 N210 C252 C253 -3.1(18) . . . . ?
Zn7 N210 C252 C253 173.3(10) 2_545 . . . ?
N210 C252 C253 C254 6.1(17) . . . . ?
C252 C253 C254 C255 -16.2(16) . . . . ?
C253 C254 C255 C256 22.4(16) . . . . ?
C252 N210 C256 C255 7.6(14) . . . . ?
Zn7 N210 C256 C255 -169.2(7) 2_545 . . . ?
C252 N210 C256 C257 177.6(8) . . . . ?
Zn7 N210 C256 C257 0.9(11) 2_545 . . . ?
C254 C255 C256 N210 -15.4(14) . . . . ?
C254 C255 C256 C257 175.8(9) . . . . ?
C261 N211 C257 C258 7.2(15) . . . . ?
Zn7 N211 C257 C258 -177.2(9) 2_545 . . . ?
C261 N211 C257 C256 179.7(7) . . . . ?
Zn7 N211 C257 C256 -4.7(11) 2_545 . . . ?
N210 C256 C257 C258 176.0(9) . . . . ?
C255 C256 C257 C258 -15.2(15) . . . . ?
N210 C256 C257 N211 2.1(12) . . . . ?
C255 C256 C257 N211 170.8(9) . . . . ?
N211 C257 C258 C259 -14.8(17) . . . . ?
C256 C257 C258 C259 173.4(8) . . . . ?
C257 C258 C259 C260 13.2(12) . . . . ?
C258 C259 C260 C261 -9.5(12) . . . . ?
C258 C259 C260 N212 174.6(6) . . . . ?
C257 N211 C261 C260 -1.6(11) . . . . ?
Zn7 N211 C261 C260 -177.3(6) 2_545 . . . ?
C259 C260 C261 N211 4.7(14) . . . . ?
N212 C260 C261 N211 -179.4(7) . . . . ?
O204 C262 N212 C260 1.7(13) . . . . ?
C263 C262 N212 C260 177.5(7) . . . . ?
C261 C260 N212 C262 161.3(8) . . . . ?
C259 C260 N212 C262 -22.4(12) . . . . ?
N212 C262 C263 C268 151.7(8) . . . . ?
O204 C262 C263 C268 -32.2(10) . . . . ?
N212 C262 C263 C264 -19.6(11) . . . . ?
O204 C262 C263 C264 156.5(7) . . . . ?
C268 C263 C264 C265 8.4(10) . . . . ?
C262 C263 C264 C265 179.4(5) . . . . ?
C263 C264 C265 C266 -4.8(9) . . . . ?
C264 C265 C266 C267 6.0(11) . . . . ?
C264 C265 C266 C21G 174.2(6) . . . . ?
C20G C21G C266 C267 -126.6(7) . . . . ?
C249 C21G C266 C267 49.0(9) . . . . ?
C20G C21G C266 C265 64.7(10) . . . . ?
C249 C21G C266 C265 -119.7(8) . . . . ?
C265 C266 C267 C268 -10.2(11) . . . . ?
C21G C266 C267 C268 -179.8(6) . . . . ?
C264 C263 C268 C267 -13.1(12) . . . . ?
C262 C263 C268 C267 176.9(6) . . . . ?
C266 C267 C268 C263 13.5(11) . . . . ?
C315 C30G C31G C366 -7.3(16) . . . . ?
C332 C30G C31G C366 177.4(7) . . . . ?
C315 C30G C31G C349 173.7(7) . . . . ?
C332 C30G C31G C349 -1.5(14) . . . . ?
C305 N301 C301 C302 2.2(11) . . . . ?
Zn4 N301 C301 C302 177.7(5) 2_545 . . . ?
N301 C301 C302 C303 3.7(12) . . . . ?
C301 C302 C303 C304 -4.1(10) . . . . ?
C302 C303 C304 C305 -0.9(11) . . . . ?
C301 N301 C305 C304 -7.7(12) . . . . ?
Zn4 N301 C305 C304 176.4(6) 2_545 . . . ?
C301 N301 C305 C306 178.4(7) . . . . ?
Zn4 N301 C305 C306 2.5(9) 2_545 . . . ?
C303 C304 C305 N301 7.2(12) . . . . ?
C303 C304 C305 C306 -179.3(7) . . . . ?
C310 N302 C306 C307 6.9(12) . . . . ?
Zn4 N302 C306 C307 -165.4(6) 2_545 . . . ?
C310 N302 C306 C305 -179.4(6) . . . . ?
Zn4 N302 C306 C305 8.3(9) 2_545 . . . ?
N301 C305 C306 N302 -7.2(11) . . . . ?
C304 C305 C306 N302 178.9(7) . . . . ?
N301 C305 C306 C307 166.7(7) . . . . ?
C304 C305 C306 C307 -7.2(12) . . . . ?
N302 C306 C307 C308 -6.9(13) . . . . ?
C305 C306 C307 C308 179.8(7) . . . . ?
C306 C307 C308 C309 4.2(12) . . . . ?
C307 C308 C309 N303 -174.8(8) . . . . ?
C307 C308 C309 C310 -2.1(11) . . . . ?
C306 N302 C310 C309 -4.9(12) . . . . ?
Zn4 N302 C310 C309 166.6(6) 2_545 . . . ?
C308 C309 C310 N302 2.6(12) . . . . ?
N303 C309 C310 N302 176.2(7) . . . . ?
C308 C309 N303 C311 -22.5(13) . . . . ?
C310 C309 N303 C311 165.3(7) . . . . ?
C309 N303 C311 O301 -7.6(12) . . . . ?
C309 N303 C311 C312 -173.9(6) . . . . ?
N303 C311 C312 C313 -18.7(13) . . . . ?
O301 C311 C312 C313 175.7(9) . . . . ?
N303 C311 C312 C317 154.7(7) . . . . ?
O301 C311 C312 C317 -10.9(11) . . . . ?
C317 C312 C313 C314 15.8(14) . . . . ?
C311 C312 C313 C314 -171.2(8) . . . . ?
C312 C313 C314 C315 -13.3(13) . . . . ?
C313 C314 C315 C316 4.7(11) . . . . ?
C313 C314 C315 C30G -167.2(7) . . . . ?
C31G C30G C315 C314 -124.0(11) . . . . ?
C332 C30G C315 C314 51.8(10) . . . . ?
C31G C30G C315 C316 63.1(12) . . . . ?
C332 C30G C315 C316 -121.2(7) . . . . ?
C314 C315 C316 C317 -0.9(12) . . . . ?
C30G C315 C316 C317 172.0(6) . . . . ?
C313 C312 C317 C316 -8.8(11) . . . . ?
C311 C312 C317 C316 176.0(6) . . . . ?
C315 C316 C317 C312 2.8(11) . . . . ?
C322 N304 C318 C319 3.0(11) . . . . ?
Zn6 N304 C318 C319 -178.9(5) 2_545 . . . ?
N304 C318 C319 C320 -1.2(11) . . . . ?
C318 C319 C320 C321 3.3(13) . . . . ?
C319 C320 C321 C322 -6.0(13) . . . . ?
C318 N304 C322 C321 -6.2(12) . . . . ?
Zn6 N304 C322 C321 175.5(5) 2_545 . . . ?
C318 N304 C322 C323 -178.3(7) . . . . ?
Zn6 N304 C322 C323 3.5(9) 2_545 . . . ?
C320 C321 C322 N304 7.4(12) . . . . ?
C320 C321 C322 C323 -179.7(7) . . . . ?
C327 N305 C323 C324 -3.1(9) . . . . ?
Zn6 N305 C323 C324 -172.3(5) 2_545 . . . ?
C327 N305 C323 C322 -178.9(5) . . . . ?
Zn6 N305 C323 C322 11.9(6) 2_545 . . . ?
N304 C322 C323 C324 175.2(8) . . . . ?
C321 C322 C323 C324 2.5(13) . . . . ?
N304 C322 C323 N305 -10.4(10) . . . . ?
C321 C322 C323 N305 176.9(6) . . . . ?
N305 C323 C324 C325 1.9(12) . . . . ?
C322 C323 C324 C325 176.1(8) . . . . ?
C323 C324 C325 C326 -5.2(14) . . . . ?
C324 C325 C326 N306 177.8(8) . . . . ?
C324 C325 C326 C327 8.7(12) . . . . ?
N306 C326 C327 N305 -177.6(7) . . . . ?
C325 C326 C327 N305 -10.8(11) . . . . ?
C323 N305 C327 C326 8.7(10) . . . . ?
Zn6 N305 C327 C326 176.2(6) 2_545 . . . ?
C327 C326 N306 C328 -22.4(14) . . . . ?
C325 C326 N306 C328 171.5(8) . . . . ?
C326 N306 C328 O302 4.8(15) . . . . ?
C326 N306 C328 C329 -177.1(7) . . . . ?
N306 C328 C329 C330 166.7(8) . . . . ?
O302 C328 C329 C330 -14.9(12) . . . . ?
N306 C328 C329 C334 -29.4(12) . . . . ?
O302 C328 C329 C334 149.0(8) . . . . ?
C334 C329 C330 C331 6.9(13) . . . . ?
C328 C329 C330 C331 171.1(8) . . . . ?
C329 C330 C331 C332 -9.2(14) . . . . ?
C330 C331 C332 C333 7.8(13) . . . . ?
C330 C331 C332 C30G 179.1(8) . . . . ?
C31G C30G C332 C333 -127.3(10) . . . . ?
C315 C30G C332 C333 56.7(10) . . . . ?
C31G C30G C332 C331 61.9(13) . . . . ?
C315 C30G C332 C331 -114.1(8) . . . . ?
C331 C332 C333 C334 -4.5(12) . . . . ?
C30G C332 C333 C334 -175.7(7) . . . . ?
C332 C333 C334 C329 2.7(12) . . . . ?
C330 C329 C334 C333 -3.4(12) . . . . ?
C328 C329 C334 C333 -167.0(7) . . . . ?
C339 N307 C335 C336 -3.6(8) . . . . ?
Zn1 N307 C335 C336 168.8(5) 2_545 . . . ?
N307 C335 C336 C337 5.1(10) . . . . ?
C335 C336 C337 C338 -4.2(11) . . . . ?
C336 C337 C338 C339 2.3(11) . . . . ?
C335 N307 C339 C340 177.8(5) . . . . ?
Zn1 N307 C339 C340 4.4(7) 2_545 . . . ?
C335 N307 C339 C338 1.7(8) . . . . ?
Zn1 N307 C339 C338 -171.8(5) 2_545 . . . ?
C337 C338 C339 N307 -1.1(11) . . . . ?
C337 C338 C339 C340 -176.9(7) . . . . ?
C344 N308 C340 C341 12.5(8) . . . . ?
Zn1 N308 C340 C341 -168.3(5) 2_545 . . . ?
C344 N308 C340 C339 -178.3(5) . . . . ?
Zn1 N308 C340 C339 0.9(7) 2_545 . . . ?
N307 C339 C340 N308 -3.5(8) . . . . ?
C338 C339 C340 N308 172.4(6) . . . . ?
N307 C339 C340 C341 166.1(5) . . . . ?
C338 C339 C340 C341 -18.0(10) . . . . ?
N308 C340 C341 C342 -9.7(9) . . . . ?
C339 C340 C341 C342 -178.4(5) . . . . ?
C340 C341 C342 C343 0.5(9) . . . . ?
C341 C342 C343 N309 -174.0(6) . . . . ?
C341 C342 C343 C344 4.3(8) . . . . ?
C340 N308 C344 C343 -6.7(8) . . . . ?
Zn1 N308 C344 C343 174.1(4) 2_545 . . . ?
C342 C343 C344 N308 -1.4(8) . . . . ?
N309 C343 C344 N308 177.3(5) . . . . ?
C342 C343 N309 C345 -28.8(10) . . . . ?
C344 C343 N309 C345 153.0(6) . . . . ?
C343 N309 C345 O303 12.2(11) . . . . ?
C343 N309 C345 C346 -177.1(4) . . . . ?
N309 C345 C346 C347 162.4(5) . . . . ?
O303 C345 C346 C347 -25.8(7) . . . . ?
N309 C345 C346 C351 -14.9(8) . . . . ?
O303 C345 C346 C351 156.9(5) . . . . ?
C351 C346 C347 C348 0.0 . . . . ?
C345 C346 C347 C348 -177.4(4) . . . . ?
C346 C347 C348 C349 0.0 . . . . ?
C347 C348 C349 C350 0.0 . . . . ?
C347 C348 C349 C31G 170.6(4) . . . . ?
C30G C31G C349 C348 57.4(10) . . . . ?
C366 C31G C349 C348 -121.7(5) . . . . ?
C30G C31G C349 C350 -132.6(8) . . . . ?
C366 C31G C349 C350 48.4(7) . . . . ?
C348 C349 C350 C351 0.0 . . . . ?
C31G C349 C350 C351 -169.5(5) . . . . ?
C349 C350 C351 C346 0.0 . . . . ?
C347 C346 C351 C350 0.0 . . . . ?
C345 C346 C351 C350 177.2(4) . . . . ?
C356 N310 C352 C353 8.1(13) . . . . ?
Zn8 N310 C352 C353 -174.0(6) 2_545 . . . ?
N310 C352 C353 C354 -8.0(14) . . . . ?
C352 C353 C354 C355 2.0(13) . . . . ?
C353 C354 C355 C356 4.2(12) . . . . ?
C352 N310 C356 C355 -2.2(13) . . . . ?
Zn8 N310 C356 C355 179.8(6) 2_545 . . . ?
C352 N310 C356 C357 171.9(7) . . . . ?
Zn8 N310 C356 C357 -6.0(10) 2_545 . . . ?
C354 C355 C356 N310 -4.2(13) . . . . ?
C354 C355 C356 C357 -178.3(7) . . . . ?
C361 N311 C357 C358 -8.3(15) . . . . ?
Zn8 N311 C357 C358 -178.5(9) 2_545 . . . ?
C361 N311 C357 C356 177.6(7) . . . . ?
Zn8 N311 C357 C356 7.4(9) 2_545 . . . ?
N310 C356 C357 C358 -176.2(8) . . . . ?
C355 C356 C357 C358 -1.9(13) . . . . ?
N310 C356 C357 N311 -0.8(11) . . . . ?
C355 C356 C357 N311 173.5(8) . . . . ?
N311 C357 C358 C359 4.1(16) . . . . ?
C356 C357 C358 C359 177.7(7) . . . . ?
C357 C358 C359 C360 1.6(13) . . . . ?
C358 C359 C360 C361 -1.4(12) . . . . ?
C358 C359 C360 N312 -173.0(8) . . . . ?
C357 N311 C361 C360 7.8(12) . . . . ?
Zn8 N311 C361 C360 177.3(7) 2_545 . . . ?
N312 C360 C361 N311 168.4(8) . . . . ?
C359 C360 C361 N311 -3.8(12) . . . . ?
C361 C360 N312 C362 161.5(8) . . . . ?
C359 C360 N312 C362 -28.1(12) . . . . ?
C361 C360 N312 C62C -26.0(14) . . . . ?
C359 C360 N312 C62C 144.3(11) . . . . ?
C30G C31G C366 C367 72.3(14) . . . . ?
C349 C31G C366 C367 -108.6(10) . . . . ?
C30G C31G C366 C365 -120.2(11) . . . . ?
C349 C31G C366 C365 58.9(9) . . . . ?
C30G C31G C366 C65C -134.4(15) . . . . ?
C349 C31G C366 C65C 44.6(15) . . . . ?
C30G C31G C366 C67C 61.1(14) . . . . ?
C349 C31G C366 C67C -119.9(10) . . . . ?
C360 N312 C362 O34' -6(2) . . . . ?
C360 N312 C362 O304 48.0(17) . . . . ?
C360 N312 C362 C363 -171.3(7) . . . . ?
N312 C362 O304 O34' -115(2) . . . . ?
C363 C362 O304 O34' 111(2) . . . . ?
N312 C362 O34' O304 107(2) . . . . ?
C363 C362 O34' O304 -90(2) . . . . ?
N312 C362 C363 C364 165.8(10) . . . . ?
O34' C362 C363 C364 -3.3(19) . . . . ?
O304 C362 C363 C364 -42.6(16) . . . . ?
N312 C362 C363 C368 -37.3(15) . . . . ?
O34' C362 C363 C368 153.6(16) . . . . ?
O304 C362 C363 C368 114.3(15) . . . . ?
C368 C363 C364 C365 7.9(19) . . . . ?
C362 C363 C364 C365 170.4(12) . . . . ?
C363 C364 C365 C366 -2.6(19) . . . . ?
C367 C366 C365 C364 -5.5(17) . . . . ?
C31G C366 C365 C364 -172.6(9) . . . . ?
C365 C366 C367 C368 5.9(16) . . . . ?
C31G C366 C367 C368 170.8(8) . . . . ?
C364 C363 C368 C367 -7.1(19) . . . . ?
C362 C363 C368 C367 -165.9(11) . . . . ?
C366 C367 C368 C363 1.3(19) . . . . ?
C360 N312 C62C O4CC 38(2) . . . . ?
C360 N312 C62C O04C -20(3) . . . . ?
C360 N312 C62C C63C 173.0(8) . . . . ?
N312 C62C O04C O4CC 108(2) . . . . ?
C63C C62C O04C O4CC -89(2) . . . . ?
N312 C62C O4CC O04C -115(2) . . . . ?
C63C C62C O4CC O04C 117.2(19) . . . . ?
N312 C62C C63C C64C 16(2) . . . . ?
O4CC C62C C63C C64C 161.1(17) . . . . ?
O04C C62C C63C C64C -152.9(19) . . . . ?
N312 C62C C63C C68C 166.9(14) . . . . ?
O4CC C62C C63C C68C -48(2) . . . . ?
O04C C62C C63C C68C -2(3) . . . . ?
C68C C63C C64C C65C 27(3) . . . . ?
C62C C63C C64C C65C -178.9(18) . . . . ?
C67C C366 C65C C64C -8(2) . . . . ?
C31G C366 C65C C64C -169.3(12) . . . . ?
C63C C64C C65C C366 -16(3) . . . . ?
C65C C366 C67C C68C 13(2) . . . . ?
C31G C366 C67C C68C 179.3(13) . . . . ?
C64C C63C C68C C67C -19(3) . . . . ?
C62C C63C C68C C67C -176.8(17) . . . . ?
C366 C67C C68C C63C 2(3) . . . . ?
C432 C40G C41G C466 -4.4(14) . . . . ?
C415 C40G C41G C466 -176.4(7) . . . . ?
C432 C40G C41G C449 176.5(6) . . . . ?
C415 C40G C41G C449 4.5(12) . . . . ?
C405 N401 C401 C402 -0.6(12) . . . . ?
Zn6 N401 C401 C402 177.3(7) 2_545 . . . ?
N401 C401 C402 C403 -3.6(14) . . . . ?
C401 C402 C403 C404 5.5(14) . . . . ?
C402 C403 C404 C405 -3.3(14) . . . . ?
C403 C404 C405 N401 -1.6(13) . . . . ?
C403 C404 C405 C406 -176.4(7) . . . . ?
C401 N401 C405 C404 3.3(11) . . . . ?
Zn6 N401 C405 C404 -175.1(6) 2_545 . . . ?
C401 N401 C405 C406 177.9(6) . . . . ?
Zn6 N401 C405 C406 -0.5(9) 2_545 . . . ?
C409 N402 C406 C407 4.1(10) . . . . ?
Zn6 N402 C406 C407 -175.7(6) 2_545 . . . ?
C409 N402 C406 C405 176.3(5) . . . . ?
Zn6 N402 C406 C405 -3.5(7) 2_545 . . . ?
C404 C405 C406 N402 177.8(6) . . . . ?
N401 C405 C406 N402 2.8(9) . . . . ?
C404 C405 C406 C407 -9.5(10) . . . . ?
N401 C405 C406 C407 175.5(7) . . . . ?
N402 C406 C407 C408 -1.3(11) . . . . ?
C405 C406 C407 C408 -172.9(6) . . . . ?
C406 C407 C408 C410 -1.5(11) . . . . ?
C406 N402 C409 C410 -3.7(9) . . . . ?
Zn6 N402 C409 C410 176.0(4) 2_545 . . . ?
C407 C408 C410 C409 1.5(11) . . . . ?
C407 C408 C410 N403 -177.4(7) . . . . ?
N402 C409 C410 C408 1.2(9) . . . . ?
N402 C409 C410 N403 -179.6(5) . . . . ?
C408 C410 N403 C411 -21.3(11) . . . . ?
C409 C410 N403 C411 159.7(6) . . . . ?
C410 N403 C411 O01D -30.7(13) . . . . ?
C410 N403 C411 O401 3.2(11) . . . . ?
C410 N403 C411 C412 -175.6(5) . . . . ?
N403 C411 O401 O01D -83.3(18) . . . . ?
C412 C411 O401 O01D 95.5(17) . . . . ?
N403 C411 O01D O401 115.2(15) . . . . ?
C412 C411 O01D O401 -100.3(16) . . . . ?
O01D C411 C412 C417 -173.8(10) . . . . ?
O401 C411 C412 C417 152.6(8) . . . . ?
N403 C411 C412 C417 -28.5(9) . . . . ?
O01D C411 C412 C413 11.8(13) . . . . ?
O401 C411 C412 C413 -21.8(10) . . . . ?
N403 C411 C412 C413 157.1(6) . . . . ?
C417 C412 C413 C414 1.4(11) . . . . ?
C411 C412 C413 C414 175.9(6) . . . . ?
C412 C413 C414 C415 -2.6(11) . . . . ?
C413 C414 C415 C416 0.5(11) . . . . ?
C413 C414 C415 C40G 172.1(6) . . . . ?
C41G C40G C415 C414 53.9(13) . . . . ?
C432 C40G C415 C414 -117.8(8) . . . . ?
C41G C40G C415 C416 -133.9(9) . . . . ?
C432 C40G C415 C416 54.4(9) . . . . ?
C414 C415 C416 C417 2.4(10) . . . . ?
C40G C415 C416 C417 -170.0(6) . . . . ?
C413 C412 C417 C416 1.8(11) . . . . ?
C411 C412 C417 C416 -172.7(6) . . . . ?
C415 C416 C417 C412 -3.6(10) . . . . ?
C422 N404 C418 C419 -1.1(9) . . . . ?
Zn5 N404 C418 C419 -171.2(5) 2_545 . . . ?
N404 C418 C419 C420 -1.8(10) . . . . ?
C418 C419 C420 C421 1.7(9) . . . . ?
C419 C420 C421 C422 1.2(9) . . . . ?
C418 N404 C422 C421 3.8(9) . . . . ?
Zn5 N404 C422 C421 174.9(4) 2_545 . . . ?
C418 N404 C422 C423 -178.3(5) . . . . ?
Zn5 N404 C422 C423 -7.2(7) 2_545 . . . ?
C420 C421 C422 N404 -3.9(9) . . . . ?
C420 C421 C422 C423 178.4(6) . . . . ?
C427 N405 C423 C424 -3.2(10) . . . . ?
Zn5 N405 C423 C424 177.8(5) 2_545 . . . ?
C427 N405 C423 C422 179.0(6) . . . . ?
Zn5 N405 C423 C422 0.0(7) 2_545 . . . ?
N404 C422 C423 N405 4.9(9) . . . . ?
C421 C422 C423 N405 -177.4(6) . . . . ?
N404 C422 C423 C424 -172.8(6) . . . . ?
C421 C422 C423 C424 4.9(10) . . . . ?
N405 C423 C424 C425 2.4(11) . . . . ?
C422 C423 C424 C425 179.9(7) . . . . ?
C423 C424 C425 C426 -3.1(11) . . . . ?
C424 C425 C426 C427 4.9(10) . . . . ?
C424 C425 C426 N406 -175.8(7) . . . . ?
C428 N406 C426 C427 155.4(7) . . . . ?
C428 N406 C426 C425 -23.9(11) . . . . ?
C423 N405 C427 C426 5.0(9) . . . . ?
Zn5 N405 C427 C426 -176.0(4) 2_545 . . . ?
C425 C426 C427 N405 -5.9(10) . . . . ?
N406 C426 C427 N405 174.8(6) . . . . ?
C426 N406 C428 O02D -18.5(14) . . . . ?
C426 N406 C428 O402 37.6(14) . . . . ?
C426 N406 C428 C429 -171.9(6) . . . . ?
O402 O02D C428 N406 114.7(11) . . . . ?
O402 O02D C428 C429 -87.8(8) . . . . ?
O02D O402 C428 N406 -105.1(12) . . . . ?
O02D O402 C428 C429 99.3(8) . . . . ?
N406 C428 C429 C430 -24.6(10) . . . . ?
O02D C428 C429 C430 175.7(7) . . . . ?
O402 C428 C429 C430 134.9(6) . . . . ?
N406 C428 C429 C434 157.0(8) . . . . ?
O02D C428 C429 C434 -2.8(11) . . . . ?
O402 C428 C429 C434 -43.6(10) . . . . ?
C434 C429 C430 C431 0.2(10) . . . . ?
C428 C429 C430 C431 -178.4(5) . . . . ?
C429 C430 C431 C432 4.6(10) . . . . ?
C430 C431 C432 C433 -7.2(12) . . . . ?
C430 C431 C432 C40G 168.7(8) . . . . ?
C41G C40G C432 C433 -124.0(9) . . . . ?
C415 C40G C432 C433 49.3(9) . . . . ?
C41G C40G C432 C431 59.8(14) . . . . ?
C415 C40G C432 C431 -127.0(10) . . . . ?
C431 C432 C433 C434 5.4(14) . . . . ?
C40G C432 C433 C434 -171.7(8) . . . . ?
C432 C433 C434 C429 -0.6(14) . . . . ?
C430 C429 C434 C433 -2.3(12) . . . . ?
C428 C429 C434 C433 176.0(7) . . . . ?
C439 N407 C435 C436 0.5(10) . . . . ?
Zn1 N407 C435 C436 176.0(5) 2_545 . . . ?
N407 C435 C436 C437 1.1(11) . . . . ?
C435 C436 C437 C438 -3.0(10) . . . . ?
C436 C437 C438 C439 3.4(11) . . . . ?
C435 N407 C439 C440 176.4(5) . . . . ?
Zn1 N407 C439 C440 0.1(7) 2_545 . . . ?
C435 N407 C439 C438 -0.1(9) . . . . ?
Zn1 N407 C439 C438 -176.3(5) 2_545 . . . ?
C437 C438 C439 N407 -1.9(11) . . . . ?
C437 C438 C439 C440 -178.0(6) . . . . ?
C444 N408 C440 C439 -179.4(5) . . . . ?
Zn1 N408 C440 C439 7.1(7) 2_545 . . . ?
C444 N408 C440 C441 -0.4(8) . . . . ?
Zn1 N408 C440 C441 -173.9(4) 2_545 . . . ?
N407 C439 C440 N408 -5.0(8) . . . . ?
C438 C439 C440 N408 171.4(6) . . . . ?
N407 C439 C440 C441 176.2(6) . . . . ?
C438 C439 C440 C441 -7.4(11) . . . . ?
N408 C440 C441 C442 -1.2(10) . . . . ?
C439 C440 C441 C442 177.7(7) . . . . ?
C440 C441 C442 C443 -0.3(11) . . . . ?
C441 C442 C443 C444 3.3(9) . . . . ?
C441 C442 C443 N409 -179.3(6) . . . . ?
C440 N408 C444 C443 3.6(8) . . . . ?
Zn1 N408 C444 C443 176.3(4) 2_545 . . . ?
C442 C443 C444 N408 -5.0(9) . . . . ?
N409 C443 C444 N408 177.4(5) . . . . ?
C444 C443 N409 C45D -26.4(13) . . . . ?
C442 C443 N409 C45D 156.2(11) . . . . ?
C444 C443 N409 C445 153.8(6) . . . . ?
C442 C443 N409 C445 -23.5(10) . . . . ?
C40G C41G C449 C450 72.1(10) . . . . ?
C466 C41G C449 C450 -107.2(9) . . . . ?
C40G C41G C449 C48D -136.0(9) . . . . ?
C466 C41G C449 C48D 44.6(10) . . . . ?
C40G C41G C449 C448 -120.0(8) . . . . ?
C466 C41G C449 C448 60.7(8) . . . . ?
C40G C41G C449 C50D 61.2(9) . . . . ?
C466 C41G C449 C50D -118.1(8) . . . . ?
C443 N409 C445 O403 -0.1(13) . . . . ?
C443 N409 C445 C446 -179.7(6) . . . . ?
O403 C445 C446 C447 -23.6(13) . . . . ?
N409 C445 C446 C447 156.1(7) . . . . ?
O403 C445 C446 C451 156.8(10) . . . . ?
N409 C445 C446 C451 -23.5(12) . . . . ?
C451 C446 C447 C448 -4.2(13) . . . . ?
C445 C446 C447 C448 176.2(7) . . . . ?
C450 C449 C448 C447 1.8(11) . . . . ?
C41G C449 C448 C447 -168.2(7) . . . . ?
C446 C447 C448 C449 1.6(13) . . . . ?
C448 C449 C450 C451 -2.5(11) . . . . ?
C41G C449 C450 C451 164.4(7) . . . . ?
C449 C450 C451 C446 0.0(13) . . . . ?
C447 C446 C451 C450 3.6(14) . . . . ?
C445 C446 C451 C450 -176.8(8) . . . . ?
C443 N409 C45D C46D -173.2(7) . . . . ?
C443 N409 C45D O3DD 27(2) . . . . ?
C443 N409 C45D O03D 50.9(18) . . . . ?
N409 C45D O03D O3DD -117(2) . . . . ?
C46D C45D O03D O3DD 109(2) . . . . ?
N409 C45D O3DD O03D 78(3) . . . . ?
C46D C45D O3DD O03D -80(2) . . . . ?
N409 C45D C46D C51D 163.2(11) . . . . ?
O3DD C45D C46D C51D -34.4(18) . . . . ?
O03D C45D C46D C51D -55.5(15) . . . . ?
N409 C45D C46D C47D -32.4(19) . . . . ?
O3DD C45D C46D C47D 130.1(14) . . . . ?
O03D C45D C46D C47D 109.0(14) . . . . ?
C51D C46D C47D C48D -14.7(19) . . . . ?
C45D C46D C47D C48D 179.8(13) . . . . ?
C50D C449 C48D C47D -22.4(13) . . . . ?
C41G C449 C48D C47D 177.8(8) . . . . ?
C46D C47D C48D C449 26.7(18) . . . . ?
C48D C449 C50D C51D 7.3(14) . . . . ?
C41G C449 C50D C51D 170.4(8) . . . . ?
C47D C46D C51D C50D -3.7(17) . . . . ?
C45D C46D C51D C50D 162.5(12) . . . . ?
C449 C50D C51D C46D 7.0(16) . . . . ?
C456 N410 C452 C453 -1.3(9) . . . . ?
Zn3 N410 C452 C453 -177.6(5) 2_545 . . . ?
N410 C452 C453 C454 -2.3(10) . . . . ?
C452 C453 C454 C455 4.4(10) . . . . ?
C453 C454 C455 C456 -3.1(10) . . . . ?
C452 N410 C456 C455 2.8(10) . . . . ?
Zn3 N410 C456 C455 179.5(5) 2_545 . . . ?
C452 N410 C456 C457 -177.7(5) . . . . ?
Zn3 N410 C456 C457 -0.9(7) 2_545 . . . ?
C454 C455 C456 N410 -0.5(11) . . . . ?
C454 C455 C456 C457 180.0(6) . . . . ?
C461 N411 C457 C458 -1.8(9) . . . . ?
Zn3 N411 C457 C458 -174.3(4) 2_545 . . . ?
C461 N411 C457 C456 -178.9(5) . . . . ?
Zn3 N411 C457 C456 8.6(7) 2_545 . . . ?
N410 C456 C457 N411 -5.6(8) . . . . ?
C455 C456 C457 N411 174.0(6) . . . . ?
N410 C456 C457 C458 177.3(5) . . . . ?
C455 C456 C457 C458 -3.1(9) . . . . ?
N411 C457 C458 C459 1.0(9) . . . . ?
C456 C457 C458 C459 178.1(5) . . . . ?
C457 C458 C459 C460 3.1(9) . . . . ?
C462 N412 C460 C461 178.1(6) . . . . ?
C462 N412 C460 C459 -8.5(10) . . . . ?
C458 C459 C460 N412 -179.6(6) . . . . ?
C458 C459 C460 C461 -6.1(9) . . . . ?
C457 N411 C461 C460 -1.6(9) . . . . ?
Zn3 N411 C461 C460 169.5(4) 2_545 . . . ?
N412 C460 C461 N411 179.4(5) . . . . ?
C459 C460 C461 N411 5.6(9) . . . . ?
C460 N412 C462 O044 1.7(11) . . . . ?
C460 N412 C462 C463 -178.7(6) . . . . ?
O044 C462 C463 C464 153.2(7) . . . . ?
N412 C462 C463 C464 -26.4(10) . . . . ?
O044 C462 C463 C468 -26.0(9) . . . . ?
N412 C462 C463 C468 154.4(6) . . . . ?
C468 C463 C464 C465 -1.6(10) . . . . ?
C462 C463 C464 C465 179.2(6) . . . . ?
C463 C464 C465 C466 -1.3(11) . . . . ?
C464 C465 C466 C467 -0.7(12) . . . . ?
C464 C465 C466 C41G -166.1(6) . . . . ?
C40G C41G C466 C465 -138.6(10) . . . . ?
C449 C41G C466 C465 40.5(10) . . . . ?
C40G C41G C466 C467 54.3(13) . . . . ?
C449 C41G C466 C467 -126.6(7) . . . . ?
C465 C466 C467 C468 5.0(11) . . . . ?
C41G C466 C467 C468 172.3(6) . . . . ?
C464 C463 C468 C467 5.9(10) . . . . ?
C462 C463 C468 C467 -174.9(6) . . . . ?
C466 C467 C468 C463 -7.3(10) . . . . ?
C14E C50G C50H C532 -13.9(14) . . . . ?
C566 C50G C50H C532 -179.5(7) . . . . ?
C515 C50G C50H C532 2.8(13) . . . . ?
C14E C50G C50H C549 166.4(8) . . . . ?
C566 C50G C50H C549 0.8(13) . . . . ?
C515 C50G C50H C549 -176.9(7) . . . . ?
C505 N501 C501 C502 5.4(8) . . . . ?
Zn1 N501 C501 C502 165.2(4) 2_545 . . . ?
N501 C501 C502 C503 -5.3(9) . . . . ?
C501 C502 C503 C504 1.5(8) . . . . ?
C502 C503 C504 C505 1.8(8) . . . . ?
C501 N501 C505 C504 -1.7(8) . . . . ?
Zn1 N501 C505 C504 -163.1(4) 2_545 . . . ?
C501 N501 C505 C506 -178.0(5) . . . . ?
Zn1 N501 C505 C506 20.6(6) 2_545 . . . ?
C503 C504 C505 N501 -1.8(8) . . . . ?
C503 C504 C505 C506 174.4(5) . . . . ?
C509 N502 C506 C507 -0.8(7) . . . . ?
Zn1 N502 C506 C507 -177.2(4) 2_545 . . . ?
C509 N502 C506 C505 179.0(4) . . . . ?
Zn1 N502 C506 C505 2.7(5) 2_545 . . . ?
N501 C505 C506 C507 164.4(5) . . . . ?
C504 C505 C506 C507 -12.0(9) . . . . ?
N501 C505 C506 N502 -15.4(7) . . . . ?
C504 C505 C506 N502 168.1(5) . . . . ?
N502 C506 C507 C508 -2.0(8) . . . . ?
C505 C506 C507 C508 178.2(5) . . . . ?
C506 C507 C508 C510 3.6(9) . . . . ?
C506 N502 C509 C510 2.5(8) . . . . ?
Zn1 N502 C509 C510 178.3(4) 2_545 . . . ?
C507 C508 C510 C509 -2.0(8) . . . . ?
C507 C508 C510 N503 -178.7(5) . . . . ?
N502 C509 C510 C508 -1.0(9) . . . . ?
N502 C509 C510 N503 175.9(5) . . . . ?
C508 C510 N503 C11E -24.8(10) . . . . ?
C509 C510 N503 C11E 158.6(7) . . . . ?
C508 C510 N503 C511 151.6(7) . . . . ?
C509 C510 N503 C511 -25.1(9) . . . . ?
C510 N503 C511 O51' 37.5(17) . . . . ?
C510 N503 C511 O501 -21.6(15) . . . . ?
C510 N503 C511 C512 178.2(6) . . . . ?
N503 C511 O501 O51' 119.7(15) . . . . ?
C512 C511 O501 O51' -83.9(15) . . . . ?
N503 C511 O51' O501 -103.5(16) . . . . ?
C512 C511 O51' O501 117.9(13) . . . . ?
C516 C517 C512 C513 26.9(14) . . . . ?
C516 C517 C512 C511 -169.8(9) . . . . ?
O51' C511 C512 C517 147.0(10) . . . . ?
O501 C511 C512 C517 -167.7(10) . . . . ?
N503 C511 C512 C517 -5.8(12) . . . . ?
O51' C511 C512 C513 -48.2(14) . . . . ?
O501 C511 C512 C513 -2.9(16) . . . . ?
N503 C511 C512 C513 159.1(9) . . . . ?
C517 C512 C513 C514 -15.7(17) . . . . ?
C511 C512 C513 C514 -179.5(9) . . . . ?
C512 C513 C514 C515 -4.8(16) . . . . ?
C513 C514 C515 C516 9.4(15) . . . . ?
C513 C514 C515 C50G -171.9(9) . . . . ?
C50H C50G C515 C516 -123.7(13) . . . . ?
C566 C50G C515 C516 58.1(13) . . . . ?
C50H C50G C515 C514 58.0(12) . . . . ?
C566 C50G C515 C514 -120.2(8) . . . . ?
C514 C515 C516 C517 4.9(18) . . . . ?
C50G C515 C516 C517 -173.4(9) . . . . ?
C512 C517 C516 C515 -21.4(16) . . . . ?
C510 N503 C11E O01E 6.5(16) . . . . ?
C510 N503 C11E O1EE 22.4(15) . . . . ?
C510 N503 C11E C517 -171.5(5) . . . . ?
C12E C517 C11E O01E 145.8(13) . . . . ?
C16E C517 C11E O01E -28.6(15) . . . . ?
C12E C517 C11E N503 -36.5(10) . . . . ?
C16E C517 C11E N503 149.1(8) . . . . ?
C12E C517 C11E O1EE 131.8(9) . . . . ?
C16E C517 C11E O1EE -42.6(11) . . . . ?
N503 C11E O01E O1EE 135(2) . . . . ?
C517 C11E O01E O1EE -47(3) . . . . ?
N503 C11E O1EE O01E -54(3) . . . . ?
C517 C11E O1EE O01E 141(3) . . . . ?
C16E C517 C12E C13E -5.1(17) . . . . ?
C11E C517 C12E C13E -176.5(9) . . . . ?
C517 C12E C13E C14E 6(2) . . . . ?
C12E C13E C14E C15E -3(2) . . . . ?
C12E C13E C14E C50G 155.4(13) . . . . ?
C50H C50G C14E C15E -124.1(15) . . . . ?
C566 C50G C14E C15E 44.2(16) . . . . ?
C50H C50G C14E C13E 81.8(19) . . . . ?
C566 C50G C14E C13E -109.9(16) . . . . ?
C13E C14E C15E C16E -5(2) . . . . ?
C50G C14E C15E C16E -163.4(13) . . . . ?
C12E C517 C16E C15E -0.3(16) . . . . ?
C11E C517 C16E C15E 171.6(8) . . . . ?
C14E C15E C16E C517 6(2) . . . . ?
C522 N504 C518 C519 4.4(12) . . . . ?
Zn3 N504 C518 C519 -171.5(8) 2_545 . . . ?
N504 C518 C519 C520 2.2(15) . . . . ?
C518 C519 C520 C521 -6.5(13) . . . . ?
C519 C520 C521 C522 3.9(11) . . . . ?
C518 N504 C522 C521 -6.8(9) . . . . ?
Zn3 N504 C522 C521 170.0(5) 2_545 . . . ?
C518 N504 C522 C523 177.8(5) . . . . ?
Zn3 N504 C522 C523 -5.4(6) 2_545 . . . ?
C520 C521 C522 N504 3.0(9) . . . . ?
C520 C521 C522 C523 178.3(5) . . . . ?
C527 N505 C523 C524 0.8(8) . . . . ?
Zn3 N505 C523 C524 -174.9(4) 2_545 . . . ?
C527 N505 C523 C522 177.2(5) . . . . ?
Zn3 N505 C523 C522 1.6(6) 2_545 . . . ?
N504 C522 C523 N505 2.8(8) . . . . ?
C521 C522 C523 N505 -172.7(5) . . . . ?
N504 C522 C523 C524 178.8(5) . . . . ?
C521 C522 C523 C524 3.3(9) . . . . ?
N505 C523 C524 C525 -3.0(8) . . . . ?
C522 C523 C524 C525 -179.0(5) . . . . ?
C523 C524 C525 C526 4.8(9) . . . . ?
C524 C525 C526 N506 178.2(5) . . . . ?
C524 C525 C526 C527 -4.1(9) . . . . ?
C528 N506 C526 C525 -11.1(10) . . . . ?
C528 N506 C526 C527 171.2(6) . . . . ?
C523 N505 C527 C526 -0.3(8) . . . . ?
Zn3 N505 C527 C526 175.1(4) 2_545 . . . ?
C525 C526 C527 N505 1.9(8) . . . . ?
N506 C526 C527 N505 179.8(5) . . . . ?
C526 N506 C528 O502 2.5(10) . . . . ?
C526 N506 C528 C529 178.3(6) . . . . ?
O502 C528 C529 C530 -32.8(10) . . . . ?
N506 C528 C529 C530 151.6(6) . . . . ?
O502 C528 C529 C534 146.4(6) . . . . ?
N506 C528 C529 C534 -29.1(9) . . . . ?
C528 C529 C530 C531 -178.0(6) . . . . ?
C534 C529 C530 C531 2.7(10) . . . . ?
C529 C530 C531 C532 -0.7(10) . . . . ?
C530 C531 C532 C533 -2.7(12) . . . . ?
C530 C531 C532 C50H 165.7(7) . . . . ?
C50G C50H C532 C531 64.0(11) . . . . ?
C549 C50H C532 C531 -116.4(9) . . . . ?
C50G C50H C532 C533 -125.5(8) . . . . ?
C549 C50H C532 C533 54.2(10) . . . . ?
C531 C532 C533 C534 3.5(12) . . . . ?
C50H C532 C533 C534 -166.6(6) . . . . ?
C532 C533 C534 C529 -1.2(9) . . . . ?
C530 C529 C534 C533 -1.6(9) . . . . ?
C528 C529 C534 C533 179.2(6) . . . . ?
C539 N507 C535 C536 6.1(8) . . . . ?
Zn2 N507 C535 C536 166.9(4) 2_545 . . . ?
N507 C535 C536 C537 -4.4(10) . . . . ?
C535 C536 C537 C538 2.5(10) . . . . ?
C536 C537 C538 C539 -2.8(9) . . . . ?
C535 N507 C539 C538 -7.0(8) . . . . ?
Zn2 N507 C539 C538 -169.2(4) 2_545 . . . ?
C535 N507 C539 C540 172.4(5) . . . . ?
Zn2 N507 C539 C540 10.2(5) 2_545 . . . ?
C537 C538 C539 N507 5.3(9) . . . . ?
C537 C538 C539 C540 -174.0(5) . . . . ?
C544 N508 C540 C541 4.0(8) . . . . ?
Zn2 N508 C540 C541 -168.5(4) 2_545 . . . ?
C544 N508 C540 C539 -178.7(5) . . . . ?
Zn2 N508 C540 C539 8.8(6) 2_545 . . . ?
N507 C539 C540 N508 -13.0(7) . . . . ?
C538 C539 C540 N508 166.3(5) . . . . ?
N507 C539 C540 C541 164.2(5) . . . . ?
C538 C539 C540 C541 -16.4(8) . . . . ?
N508 C540 C541 C542 -2.9(8) . . . . ?
C539 C540 C541 C542 179.7(5) . . . . ?
C540 C541 C542 C543 -0.4(8) . . . . ?
C541 C542 C543 C544 3.0(9) . . . . ?
C541 C542 C543 N509 -176.5(5) . . . . ?
C545 N509 C543 C544 163.6(6) . . . . ?
C545 N509 C543 C542 -16.8(10) . . . . ?
C540 N508 C544 C543 -1.5(8) . . . . ?
Zn2 N508 C544 C543 169.7(4) 2_545 . . . ?
C542 C543 C544 N508 -2.2(9) . . . . ?
N509 C543 C544 N508 177.3(5) . . . . ?
C543 N509 C545 O503 6.7(11) . . . . ?
C543 N509 C545 C546 -176.0(6) . . . . ?
O503 C545 C546 C551 -20.8(10) . . . . ?
N509 C545 C546 C551 162.1(6) . . . . ?
O503 C545 C546 C547 148.9(7) . . . . ?
N509 C545 C546 C547 -28.2(9) . . . . ?
C551 C546 C547 C548 -10.4(12) . . . . ?
C545 C546 C547 C548 -178.4(6) . . . . ?
C546 C547 C548 C549 5.1(11) . . . . ?
C547 C548 C549 C550 -2.3(12) . . . . ?
C547 C548 C549 C50H 167.1(8) . . . . ?
C50G C50H C549 C550 -130.5(9) . . . . ?
C532 C50H C549 C550 49.8(11) . . . . ?
C50G C50H C549 C548 59.6(12) . . . . ?
C532 C50H C549 C548 -120.1(10) . . . . ?
C548 C549 C550 C551 3.0(12) . . . . ?
C50H C549 C550 C551 -168.8(7) . . . . ?
C547 C546 C551 C550 11.4(12) . . . . ?
C545 C546 C551 C550 179.5(6) . . . . ?
C549 C550 C551 C546 -7.1(12) . . . . ?
C556 N510 C552 C553 2.7(12) . . . . ?
Zn8 N510 C552 C553 161.1(6) 2_545 . . . ?
N510 C552 C553 C554 2.2(13) . . . . ?
C552 C553 C554 C555 -5.5(13) . . . . ?
C553 C554 C555 C556 3.1(11) . . . . ?
C552 N510 C556 C555 -6.6(16) . . . . ?
Zn8 N510 C556 C555 -164.3(9) 2_545 . . . ?
C552 N510 C556 C557 -178.7(6) . . . . ?
Zn8 N510 C556 C557 23.5(9) 2_545 . . . ?
C554 C555 C556 N510 3.8(15) . . . . ?
C554 C555 C556 C557 175.8(6) . . . . ?
C561 N511 C557 C558 -0.9(11) . . . . ?
Zn8 N511 C557 C558 -175.2(5) 2_545 . . . ?
C561 N511 C557 C556 -179.3(7) . . . . ?
Zn8 N511 C557 C556 6.4(8) 2_545 . . . ?
N510 C556 C557 C558 163.9(8) . . . . ?
C555 C556 C557 C558 -10.8(12) . . . . ?
N510 C556 C557 N511 -18.0(10) . . . . ?
C555 C556 C557 N511 167.3(7) . . . . ?
N511 C557 C558 C559 1.1(12) . . . . ?
C556 C557 C558 C559 179.2(8) . . . . ?
C557 C558 C559 C560 -2.3(12) . . . . ?
C558 C559 C560 C561 3.6(11) . . . . ?
C558 C559 C560 N512 176.4(6) . . . . ?
N512 C560 C561 N511 -176.3(6) . . . . ?
C559 C560 C561 N511 -3.5(11) . . . . ?
C557 N511 C561 C560 2.1(11) . . . . ?
Zn8 N511 C561 C560 176.0(5) 2_545 . . . ?
C561 C560 N512 C62E -24.8(12) . . . . ?
C559 C560 N512 C62E 161.9(9) . . . . ?
C561 C560 N512 C562 144.7(10) . . . . ?
C559 C560 N512 C562 -28.7(12) . . . . ?
C564 C565 C566 C567 -0.7(13) . . . . ?
C64E C565 C566 C67E -16(2) . . . . ?
C564 C565 C566 C50G -176.2(8) . . . . ?
C64E C565 C566 C50G 169.2(12) . . . . ?
C50H C50G C566 C567 -123.2(11) . . . . ?
C515 C50G C566 C567 54.9(11) . . . . ?
C50H C50G C566 C565 51.6(12) . . . . ?
C14E C50G C566 C565 -116.2(9) . . . . ?
C515 C50G C566 C565 -130.3(7) . . . . ?
C50H C50G C566 C67E -125.2(15) . . . . ?
C14E C50G C566 C67E 67.0(15) . . . . ?
C560 N512 C562 O504 3(2) . . . . ?
C560 N512 C562 O54' 39.4(19) . . . . ?
C560 N512 C562 C563 -175.1(7) . . . . ?
N512 C562 O504 O54' 94(3) . . . . ?
C563 C562 O504 O54' -88(3) . . . . ?
N512 C562 O54' O504 -108(3) . . . . ?
C563 C562 O54' O504 115(3) . . . . ?
O504 C562 C563 C564 -16(2) . . . . ?
O54' C562 C563 C564 -52.5(18) . . . . ?
N512 C562 C563 C564 162.0(9) . . . . ?
O504 C562 C563 C568 152.0(19) . . . . ?
O54' C562 C563 C568 115.5(16) . . . . ?
N512 C562 C563 C568 -29.9(16) . . . . ?
C566 C565 C564 C563 -8.4(15) . . . . ?
C568 C563 C564 C565 9.7(16) . . . . ?
C562 C563 C564 C565 179.4(9) . . . . ?
C565 C566 C567 C568 8.2(14) . . . . ?
C50G C566 C567 C568 -177.1(8) . . . . ?
C566 C567 C568 C563 -6.6(15) . . . . ?
C564 C563 C568 C567 -2.5(15) . . . . ?
C562 C563 C568 C567 -169.5(11) . . . . ?
C560 N512 C62E O04E 5(2) . . . . ?
C560 N512 C62E C63E 177.2(11) . . . . ?
C560 N512 C62E O4EE -18(2) . . . . ?
N512 C62E C63E C68E 159(2) . . . . ?
O04E C62E C63E C68E -27(3) . . . . ?
O4EE C62E C63E C68E -9(3) . . . . ?
N512 C62E C63E C64E -34(4) . . . . ?
O04E C62E C63E C64E 140(3) . . . . ?
O4EE C62E C63E C64E 158(3) . . . . ?
C68E C63E C64E C565 -3(4) . . . . ?
C62E C63E C64E C565 -172(3) . . . . ?
C566 C565 C64E C63E 2(4) . . . . ?
C565 C566 C67E C68E 25(3) . . . . ?
C50G C566 C67E C68E -159.8(18) . . . . ?
C566 C67E C68E C63E -23(4) . . . . ?
C64E C63E C68E C67E 15(4) . . . . ?
C62E C63E C68E C67E -174(3) . . . . ?
C602 C603 C604 C605 54.0(11) . . . . ?
C02F C603 C604 C05F 36.2(10) . . . . ?
C05F N01F C01F C02F 39.1(15) . . . . ?
Zn8 N01F C01F C02F -142.1(11) 2_545 . . . ?
N01F C01F C02F C603 31.6(18) . . . . ?
C604 C603 C02F C01F -64.2(12) . . . . ?
C01F N01F C05F C604 -65.1(12) . . . . ?
Zn8 N01F C05F C604 116.1(10) 2_545 . . . ?
C01F N01F C05F C606 -172.3(9) . . . . ?
Zn8 N01F C05F C606 8.9(11) 2_545 . . . ?
C603 C604 C05F N01F 24.1(13) . . . . ?
C603 C604 C05F C606 118.1(8) . . . . ?
C605 N601 C601 C602 30.6(19) . . . . ?
Zn8 N601 C601 C602 -166.2(11) 2_545 . . . ?
N601 C601 C602 C603 -32.9(18) . . . . ?
C604 C603 C602 C601 -17.9(15) . . . . ?
C601 N601 C605 C604 29.1(16) . . . . ?
Zn8 N601 C605 C604 -133.8(9) 2_545 . . . ?
C601 N601 C605 C606 141.8(10) . . . . ?
Zn8 N601 C605 C606 -21.1(12) 2_545 . . . ?
C603 C604 C605 N601 -62.5(12) . . . . ?
C603 C604 C605 C606 -170.8(7) . . . . ?
C610 N602 C606 C607 17.8(11) . . . . ?
Zn8 N602 C606 C607 -171.1(6) 2_545 . . . ?
C610 N602 C606 C05F -161.9(8) . . . . ?
Zn8 N602 C606 C05F 9.2(10) 2_545 . . . ?
C610 N602 C606 C605 143.6(6) . . . . ?
Zn8 N602 C606 C605 -45.3(7) 2_545 . . . ?
N01F C05F C606 N602 -11.0(11) . . . . ?
C604 C05F C606 N602 -123.6(9) . . . . ?
N01F C05F C606 C607 169.2(8) . . . . ?
C604 C05F C606 C607 56.6(8) . . . . ?
N601 C605 C606 N602 38.8(10) . . . . ?
C604 C605 C606 N602 169.7(7) . . . . ?
N601 C605 C606 C607 -179.9(8) . . . . ?
C604 C605 C606 C607 -49.0(9) . . . . ?
N602 C606 C607 C608 -12.5(11) . . . . ?
C05F C606 C607 C608 167.3(6) . . . . ?
C605 C606 C607 C608 -139.7(6) . . . . ?
C606 C607 C608 C609 -6.7(11) . . . . ?
C607 C608 C609 N603 179.0(7) . . . . ?
C607 C608 C609 C610 13.6(10) . . . . ?
N603 C609 C610 N602 -171.3(8) . . . . ?
C608 C609 C610 N602 -6.0(12) . . . . ?
C606 N602 C610 C609 -7.4(12) . . . . ?
Zn8 N602 C610 C609 -175.4(7) 2_545 . . . ?
C622 N604 C618 C619 2.7(9) . . . . ?
Zn4 N604 C618 C619 -178.1(4) 2_545 . . . ?
N604 C618 C619 C620 -3.6(9) . . . . ?
C618 C619 C620 C621 7.7(11) . . . . ?
C619 C620 C621 C622 -9.9(10) . . . . ?
C618 N604 C622 C621 -5.6(10) . . . . ?
Zn4 N604 C622 C621 175.1(5) 2_545 . . . ?
C618 N604 C622 C623 -178.8(5) . . . . ?
Zn4 N604 C622 C623 1.9(8) 2_545 . . . ?
C620 C621 C622 N604 8.6(10) . . . . ?
C620 C621 C622 C623 -178.5(6) . . . . ?
C627 N605 C623 C624 -4.2(10) . . . . ?
Zn4 N605 C623 C624 -179.4(5) 2_545 . . . ?
C627 N605 C623 C622 178.3(5) . . . . ?
Zn4 N605 C623 C622 3.1(7) 2_545 . . . ?
N604 C622 C623 C624 179.5(7) . . . . ?
C621 C622 C623 C624 6.0(11) . . . . ?
N604 C622 C623 N605 -3.2(9) . . . . ?
C621 C622 C623 N605 -176.7(6) . . . . ?
N605 C623 C624 C625 1.6(11) . . . . ?
C622 C623 C624 C625 178.7(6) . . . . ?
C623 C624 C625 C626 -0.3(10) . . . . ?
C624 C625 C626 C627 1.9(10) . . . . ?
C624 C625 C626 N606 -176.3(6) . . . . ?
C625 C626 C627 N605 -4.8(12) . . . . ?
N606 C626 C627 N605 173.4(6) . . . . ?
C623 N605 C627 C626 5.9(10) . . . . ?
Zn4 N605 C627 C626 -179.1(5) 2_545 . . . ?
C627 C626 N606 C628 166.2(8) . . . . ?
C625 C626 N606 C628 -15.5(12) . . . . ?
C626 N606 C628 O602 1.8(15) . . . . ?
C626 N606 C628 C629 -176.1(6) . . . . ?
N606 C628 C629 C634 -30.5(11) . . . . ?
O602 C628 C629 C634 151.2(7) . . . . ?
N606 C628 C629 C630 159.4(7) . . . . ?
O602 C628 C629 C630 -19.0(10) . . . . ?
C634 C629 C630 C631 14.4(12) . . . . ?
C628 C629 C630 C631 -176.2(6) . . . . ?
C629 C630 C631 C632 -5.1(11) . . . . ?
C630 C631 C632 C633 -8.1(13) . . . . ?
C630 C631 C632 C60G 171.8(6) . . . . ?
C631 C632 C633 C634 11.5(12) . . . . ?
C60G C632 C633 C634 -168.4(5) . . . . ?
C630 C629 C634 C633 -11.1(12) . . . . ?
C628 C629 C634 C633 179.7(6) . . . . ?
C632 C633 C634 C629 -2.6(11) . . . . ?
C639 N607 C635 C636 0.0(9) . . . . ?
Zn2 N607 C635 C636 167.4(5) 2_545 . . . ?
N607 C635 C636 C637 4.8(11) . . . . ?
C635 C636 C637 C638 -6.4(10) . . . . ?
C636 C637 C638 C639 3.7(10) . . . . ?
C635 N607 C639 C638 -2.6(10) . . . . ?
Zn2 N607 C639 C638 -171.0(5) 2_545 . . . ?
C635 N607 C639 C640 174.6(6) . . . . ?
Zn2 N607 C639 C640 6.1(8) 2_545 . . . ?
C637 C638 C639 N607 0.7(11) . . . . ?
C637 C638 C639 C640 -176.2(6) . . . . ?
C644 N608 C640 C641 6.4(12) . . . . ?
Zn2 N608 C640 C641 -171.2(6) 2_545 . . . ?
C644 N608 C640 C639 -174.9(6) . . . . ?
Zn2 N608 C640 C639 7.5(8) 2_545 . . . ?
N607 C639 C640 N608 -9.2(10) . . . . ?
C638 C639 C640 N608 168.1(7) . . . . ?
N607 C639 C640 C641 169.6(6) . . . . ?
C638 C639 C640 C641 -13.1(11) . . . . ?
N608 C640 C641 C642 -3.0(11) . . . . ?
C639 C640 C641 C642 178.4(6) . . . . ?
C640 C641 C642 C643 -1.9(10) . . . . ?
C641 C642 C643 C644 3.8(12) . . . . ?
C641 C642 C643 N609 -178.0(6) . . . . ?
C640 N608 C644 C643 -4.2(11) . . . . ?
Zn2 N608 C644 C643 173.3(5) 2_545 . . . ?
C642 C643 C644 N608 -1.0(12) . . . . ?
N609 C643 C644 N608 -179.0(6) . . . . ?
C644 C643 N609 C645 -31.7(11) . . . . ?
C642 C643 N609 C645 150.0(7) . . . . ?
C643 N609 C645 O63' 27.9(12) . . . . ?
C643 N609 C645 O603 -38.9(10) . . . . ?
C643 N609 C645 C646 176.5(6) . . . . ?
N609 C645 O63' O603 -94.0(9) . . . . ?
C646 C645 O63' O603 123.5(10) . . . . ?
N609 C645 O603 O63' 118.0(9) . . . . ?
C646 C645 O603 O63' -111.1(11) . . . . ?
O63' C645 C646 C651 -43.2(11) . . . . ?
N609 C645 C646 C651 168.7(7) . . . . ?
O603 C645 C646 C651 36.6(12) . . . . ?
O63' C645 C646 C647 118.2(10) . . . . ?
N609 C645 C646 C647 -29.9(11) . . . . ?
O603 C645 C646 C647 -162.0(10) . . . . ?
C651 C646 C647 C648 -11.9(15) . . . . ?
C645 C646 C647 C648 -165.7(7) . . . . ?
C646 C647 C648 C649 1.4(11) . . . . ?
C647 C648 C649 C650 9.6(13) . . . . ?
C647 C648 C649 C61G 163.4(6) . . . . ?
C648 C649 C650 C651 -13.6(15) . . . . ?
C61G C649 C650 C651 -171.4(7) . . . . ?
C647 C646 C651 C650 9.1(14) . . . . ?
C645 C646 C651 C650 167.2(6) . . . . ?
C649 C650 C651 C646 4.2(12) . . . . ?
C656 N610 C652 C653 1.6(15) . . . . ?
Zn7 N610 C652 C653 171.8(5) 2_545 . . . ?
N610 C652 C653 C654 5.3(14) . . . . ?
C652 C653 C654 C655 -3.9(14) . . . . ?
C653 C654 C655 C656 -3.2(11) . . . . ?
C652 N610 C656 C655 -8.8(18) . . . . ?
Zn7 N610 C656 C655 -179.4(7) 2_545 . . . ?
C652 N610 C656 C657 -177.7(9) . . . . ?
Zn7 N610 C656 C657 11.7(13) 2_545 . . . ?
C654 C655 C656 N610 8.8(14) . . . . ?
C654 C655 C656 C657 179.7(7) . . . . ?
C661 N611 C657 C658 6.2(12) . . . . ?
Zn7 N611 C657 C658 -178.5(6) 2_545 . . . ?
C661 N611 C657 C656 -169.9(7) . . . . ?
Zn7 N611 C657 C656 5.4(9) 2_545 . . . ?
N610 C656 C657 N611 -12.4(14) . . . . ?
C655 C656 C657 N611 177.4(7) . . . . ?
N610 C656 C657 C658 171.9(9) . . . . ?
C655 C656 C657 C658 1.6(13) . . . . ?
N611 C657 C658 C659 -6.2(13) . . . . ?
C656 C657 C658 C659 169.1(9) . . . . ?
C657 C658 C659 C660 5.4(12) . . . . ?
C658 C659 C660 C661 -4.4(11) . . . . ?
C658 C659 C660 N612 176.7(7) . . . . ?
C657 N611 C661 C660 -6.0(14) . . . . ?
Zn7 N611 C661 C660 179.5(7) 2_545 . . . ?
N612 C660 C661 N611 -176.4(8) . . . . ?
C659 C660 C661 N611 4.9(13) . . . . ?
C661 C660 N612 C662 -21.8(12) . . . . ?
C659 C660 N612 C662 156.8(7) . . . . ?
C661 C660 N612 C62F 163.9(11) . . . . ?
C659 C660 N612 C62F -17.5(14) . . . . ?
C660 N612 C662 O604 20.4(14) . . . . ?
C660 N612 C662 O64' -22.0(14) . . . . ?
C660 N612 C662 C663 -176.4(7) . . . . ?
C665 C664 C663 C668 14.1(15) . . . . ?
C665 C664 C663 C662 -163.8(11) . . . . ?
O604 C662 C663 C664 130(2) . . . . ?
O64' C662 C663 C664 -163.9(16) . . . . ?
N612 C662 C663 C664 -20.0(13) . . . . ?
O604 C662 C663 C668 -48(3) . . . . ?
O64' C662 C663 C668 18(2) . . . . ?
N612 C662 C663 C668 161.7(8) . . . . ?
C663 C664 C665 C666 -19.1(16) . . . . ?
C664 C665 C666 C667 17.9(17) . . . . ?
C664 C665 C666 C61G -179.7(9) . . . . ?
C665 C666 C667 C668 -11.6(16) . . . . ?
C61G C666 C667 C668 -174.8(9) . . . . ?
C666 C667 C668 C663 8.3(17) . . . . ?
C664 C663 C668 C667 -10.2(17) . . . . ?
C662 C663 C668 C667 168.3(10) . . . . ?
C663 C662 O64' O604 -128(2) . . . . ?
N612 C662 O64' O604 97(2) . . . . ?
C663 C662 O604 O64' 108(3) . . . . ?
N612 C662 O604 O64' -107(2) . . . . ?
C65F C664 C62F O04F 136(4) . . . . ?
C63F C664 C62F O04F -31(4) . . . . ?
C65F C664 C62F N612 -43.0(17) . . . . ?
C63F C664 C62F N612 149.9(10) . . . . ?
C660 N612 C62F O04F 8(2) . . . . ?
C660 N612 C62F C664 -172.4(7) . . . . ?
C65F C664 C63F C68F -28(2) . . . . ?
C62F C664 C63F C68F 142.8(17) . . . . ?
C63F C664 C65F C66F 19(2) . . . . ?
C62F C664 C65F C66F -147.4(15) . . . . ?
C664 C65F C66F C67F -24(3) . . . . ?
C65F C66F C67F C68F 41(2) . . . . ?
C65F C66F C67F C61G 155.6(14) . . . . ?
C664 C63F C68F C67F 39(2) . . . . ?
C66F C67F C68F C63F -47.4(19) . . . . ?
C61G C67F C68F C63F -163.6(12) . . . . ?
C633 C632 C60G C61G -135.2(7) . . . . ?
C631 C632 C60G C61G 44.8(9) . . . . ?
C633 C632 C60G C615 49.0(8) . . . . ?
C631 C632 C60G C615 -130.9(7) . . . . ?
C615 C60G C61G C67F 153.6(10) . . . . ?
C632 C60G C61G C67F -18.9(11) . . . . ?
C615 C60G C61G C666 -164.2(10) . . . . ?
C632 C60G C61G C666 23.2(14) . . . . ?
C615 C60G C61G C649 -1.5(14) . . . . ?
C632 C60G C61G C649 -174.0(5) . . . . ?
C68F C67F C61G C60G -126.9(12) . . . . ?
C66F C67F C61G C60G 105.9(14) . . . . ?
C68F C67F C61G C649 23.5(14) . . . . ?
C66F C67F C61G C649 -103.7(12) . . . . ?
C667 C666 C61G C60G 32.6(18) . . . . ?
C665 C666 C61G C60G -128.1(13) . . . . ?
C667 C666 C61G C649 -129.1(10) . . . . ?
C665 C666 C61G C649 70.2(12) . . . . ?
C648 C649 C61G C60G 75.6(10) . . . . ?
C650 C649 C61G C60G -126.8(7) . . . . ?
C648 C649 C61G C67F -82.7(12) . . . . ?
C650 C649 C61G C67F 74.8(10) . . . . ?
C648 C649 C61G C666 -114.5(9) . . . . ?
C650 C649 C61G C666 43.1(9) . . . . ?
C610 C609 N603 C611 160.5(8) . . . . ?
C608 C609 N603 C611 -1.5(12) . . . . ?
C610 C609 N603 C11F -32.6(11) . . . . ?
C608 C609 N603 C11F 165.3(8) . . . . ?
C61G C60G C615 C16F -122.7(14) . . . . ?
C632 C60G C615 C16F 49.5(12) . . . . ?
C61G C60G C615 C614 54.1(18) . . . . ?
C632 C60G C615 C614 -133.7(11) . . . . ?
C61G C60G C615 C616 -112.7(13) . . . . ?
C632 C60G C615 C616 59.5(8) . . . . ?
C61G C60G C615 C14F 60.3(14) . . . . ?
C632 C60G C615 C14F -127.5(7) . . . . ?
C609 N603 C611 O61' 23(2) . . . . ?
C609 N603 C611 O601 -30(3) . . . . ?
C609 N603 C611 C612 -174.2(7) . . . . ?
N603 C611 O61' O601 -133(3) . . . . ?
C612 C611 O61' O601 71(3) . . . . ?
N603 C611 O601 O61' 88(3) . . . . ?
C612 C611 O601 O61' -133(3) . . . . ?
O61' C611 C612 C613 130(2) . . . . ?
O601 C611 C612 C613 169.6(15) . . . . ?
N603 C611 C612 C613 -31.3(14) . . . . ?
O61' C611 C612 C617 -49(3) . . . . ?
O601 C611 C612 C617 -10(2) . . . . ?
N603 C611 C612 C617 149.4(11) . . . . ?
C617 C612 C613 C614 15.3(18) . . . . ?
C611 C612 C613 C614 -164.1(12) . . . . ?
C616 C615 C614 C613 -11.1(16) . . . . ?
C60G C615 C614 C613 -174.3(9) . . . . ?
C612 C613 C614 C615 -6.9(18) . . . . ?
C614 C615 C616 C617 16.3(16) . . . . ?
C60G C615 C616 C617 -175.1(10) . . . . ?
C613 C612 C617 C616 -8.2(18) . . . . ?
C611 C612 C617 C616 171.2(12) . . . . ?
C615 C616 C617 C612 -5.2(19) . . . . ?
C609 N603 C11F O01F 9(2) . . . . ?
C609 N603 C11F C12F -172.3(7) . . . . ?
O01F C11F C12F C17F 149.5(15) . . . . ?
N603 C11F C12F C17F -29.5(17) . . . . ?
O01F C11F C12F C13F -10(2) . . . . ?
N603 C11F C12F C13F 170.7(13) . . . . ?
C17F C12F C13F C14F -7(2) . . . . ?
C11F C12F C13F C14F 157.9(15) . . . . ?
C16F C615 C14F C13F 10(2) . . . . ?
C60G C615 C14F C13F -174.5(10) . . . . ?
C12F C13F C14F C615 5(2) . . . . ?
C14F C615 C16F C17F -15(2) . . . . ?
C60G C615 C16F C17F 169.8(9) . . . . ?
C13F C12F C17F C16F -3(2) . . . . ?
C11F C12F C17F C16F -166.3(16) . . . . ?
C615 C16F C17F C12F 11(2) . . . . ?
F25 B2 F21 F28 129.9(14) . . . . ?
F27 B2 F21 F28 -94.7(14) . . . . ?
F24 B2 F21 F28 63.3(16) . . . . ?
F22 B2 F21 F28 -69.4(14) . . . . ?
F26 B2 F21 F28 18.9(14) . . . . ?
F23 B2 F21 F28 -177.4(14) . . . . ?
F25 B2 F22 F27 82(2) . . . . ?
F24 B2 F22 F27 153.3(14) . . . . ?
F28 B2 F22 F27 -86.1(14) . . . . ?
F26 B2 F22 F27 -174.7(15) . . . . ?
F23 B2 F22 F27 28.5(14) . . . . ?
F21 B2 F22 F27 -63.7(14) . . . . ?
F27 B2 F23 F25 157.8(10) . . . . ?
F24 B2 F23 F25 24.6(8) . . . . ?
F22 B2 F23 F25 144.6(10) . . . . ?
F28 B2 F23 F25 -107.8(9) . . . . ?
F26 B2 F23 F25 35(2) . . . . ?
F21 B2 F23 F25 -106.7(8) . . . . ?
F25 B2 F24 F26 -164.3(11) . . . . ?
F27 B2 F24 F26 69.8(14) . . . . ?
F22 B2 F24 F26 53.1(10) . . . . ?
F28 B2 F24 F26 -56.6(11) . . . . ?
F23 B2 F24 F26 173.7(10) . . . . ?
F21 B2 F24 F26 -80.1(12) . . . . ?
F27 B2 F24 F25 -125.8(14) . . . . ?
F22 B2 F24 F25 -142.5(10) . . . . ?
F28 B2 F24 F25 107.7(10) . . . . ?
F26 B2 F24 F25 164.3(11) . . . . ?
F23 B2 F24 F25 -22.0(7) . . . . ?
F21 B2 F24 F25 84.2(10) . . . . ?
F27 B2 F25 F23 -30.7(13) . . . . ?
F24 B2 F25 F23 -155.4(8) . . . . ?
F22 B2 F25 F23 -70.5(16) . . . . ?
F28 B2 F25 F23 96.9(9) . . . . ?
F26 B2 F25 F23 -166.0(9) . . . . ?
F21 B2 F25 F23 76.9(7) . . . . ?
F27 B2 F25 F24 124.8(13) . . . . ?
F22 B2 F25 F24 84.9(16) . . . . ?
F28 B2 F25 F24 -107.6(9) . . . . ?
F26 B2 F25 F24 -10.5(7) . . . . ?
F23 B2 F25 F24 155.4(8) . . . . ?
F21 B2 F25 F24 -127.6(8) . . . . ?
B2 F23 F25 F24 -25.6(8) . . . . ?
F26 F24 F25 B2 21.9(15) . . . . ?
F26 F24 F25 F23 51.0(19) . . . . ?
B2 F24 F25 F23 29.0(10) . . . . ?
F25 F24 F26 B2 -18.6(12) . . . . ?
F25 B2 F26 F24 14.6(10) . . . . ?
F27 B2 F26 F24 -132.1(11) . . . . ?
F22 B2 F26 F24 -129.4(10) . . . . ?
F28 B2 F26 F24 131.1(10) . . . . ?
F23 B2 F26 F24 -14(2) . . . . ?
F21 B2 F26 F24 123.6(10) . . . . ?
F25 B2 F27 F22 -128.1(16) . . . . ?
F24 B2 F27 F22 -35.2(18) . . . . ?
F28 B2 F27 F22 97.9(14) . . . . ?
F26 B2 F27 F22 5.6(15) . . . . ?
F23 B2 F27 F22 -152.9(14) . . . . ?
F21 B2 F27 F22 121.7(13) . . . . ?
F25 B2 F28 F21 -56.5(15) . . . . ?
F27 B2 F28 F21 87.7(13) . . . . ?
F24 B2 F28 F21 -129.4(13) . . . . ?
F22 B2 F28 F21 116.1(13) . . . . ?
F26 B2 F28 F21 -162.6(13) . . . . ?
F23 B2 F28 F21 2.8(14) . . . . ?
F38 B3 F31 F32 -78.4(14) . . . . ?
F37 B3 F31 F32 146.8(12) . . . . ?
F34 B3 F31 F32 48.2(15) . . . . ?
F35 B3 F31 F32 107.6(12) . . . . ?
F33 B3 F31 F32 -5.9(13) . . . . ?
F36 B3 F31 F32 -114.1(11) . . . . ?
F38 B3 F31 F37 134.8(12) . . . . ?
F34 B3 F31 F37 -98.7(12) . . . . ?
F35 B3 F31 F37 -39.2(7) . . . . ?
F33 B3 F31 F37 -152.7(10) . . . . ?
F36 B3 F31 F37 99.1(8) . . . . ?
F32 B3 F31 F37 -146.8(12) . . . . ?
F37 F31 F32 B3 35.0(11) . . . . ?
F38 B3 F32 F31 116.7(13) . . . . ?
F37 B3 F32 F31 -33.0(12) . . . . ?
F34 B3 F32 F31 -142.5(13) . . . . ?
F35 B3 F32 F31 -87.0(13) . . . . ?
F33 B3 F32 F31 174.3(13) . . . . ?
F36 B3 F32 F31 75.9(12) . . . . ?
F38 B3 F33 F34 -118.7(9) . . . . ?
F31 B3 F33 F34 124.0(10) . . . . ?
F37 B3 F33 F34 26(2) . . . . ?
F35 B3 F33 F34 4.4(8) . . . . ?
F36 B3 F33 F34 -126.9(9) . . . . ?
F32 B3 F33 F34 120.9(8) . . . . ?
F31 B3 F33 F38 -117.3(10) . . . . ?
F37 B3 F33 F38 145(2) . . . . ?
F34 B3 F33 F38 118.7(9) . . . . ?
F35 B3 F33 F38 123.1(9) . . . . ?
F36 B3 F33 F38 -8.1(6) . . . . ?
F32 B3 F33 F38 -120.3(8) . . . . ?
B3 F33 F34 F35 -6.6(12) . . . . ?
F38 F33 F34 F35 -50.0(14) . . . . ?
F38 F33 F34 B3 -43.3(6) . . . . ?
F38 B3 F34 F33 53.1(8) . . . . ?
F31 B3 F34 F33 -83.7(12) . . . . ?
F37 B3 F34 F33 -168.2(9) . . . . ?
F35 B3 F34 F33 -174.6(10) . . . . ?
F36 B3 F34 F33 74.8(11) . . . . ?
F32 B3 F34 F33 -60.6(8) . . . . ?
F38 B3 F34 F35 -132.3(9) . . . . ?
F31 B3 F34 F35 90.9(12) . . . . ?
F37 B3 F34 F35 6.5(8) . . . . ?
F33 B3 F34 F35 174.6(10) . . . . ?
F36 B3 F34 F35 -110.6(11) . . . . ?
F32 B3 F34 F35 114.0(9) . . . . ?
F33 F34 F35 F37 -1(2) . . . . ?
B3 F34 F35 F37 -8.0(10) . . . . ?
F33 F34 F35 B3 6.7(13) . . . . ?
F38 B3 F35 F37 -123.1(12) . . . . ?
F31 B3 F35 F37 50.7(9) . . . . ?
F34 B3 F35 F37 172.1(10) . . . . ?
F33 B3 F35 F37 167.9(9) . . . . ?
F36 B3 F35 F37 -76.7(11) . . . . ?
F32 B3 F35 F37 84.1(10) . . . . ?
F38 B3 F35 F34 64.7(12) . . . . ?
F31 B3 F35 F34 -121.5(10) . . . . ?
F37 B3 F35 F34 -172.1(10) . . . . ?
F33 B3 F35 F34 -4.2(8) . . . . ?
F36 B3 F35 F34 111.2(11) . . . . ?
F32 B3 F35 F34 -88.1(10) . . . . ?
F31 B3 F36 F38 125.5(11) . . . . ?
F37 B3 F36 F38 -155.8(11) . . . . ?
F34 B3 F36 F38 -37.2(12) . . . . ?
F35 B3 F36 F38 -103.6(13) . . . . ?
F33 B3 F36 F38 12.2(9) . . . . ?
F32 B3 F36 F38 94.9(11) . . . . ?
F34 F35 F37 B3 8.1(11) . . . . ?
F34 F35 F37 F31 -27.8(13) . . . . ?
B3 F35 F37 F31 -36.0(6) . . . . ?
F38 B3 F37 F35 105.4(14) . . . . ?
F31 B3 F37 F35 -132.7(9) . . . . ?
F34 B3 F37 F35 -6.5(8) . . . . ?
F33 B3 F37 F35 -27(2) . . . . ?
F36 B3 F37 F35 126.0(9) . . . . ?
F32 B3 F37 F35 -116.1(9) . . . . ?
F38 B3 F37 F31 -121.9(15) . . . . ?
F34 B3 F37 F31 126.2(9) . . . . ?
F35 B3 F37 F31 132.7(9) . . . . ?
F33 B3 F37 F31 106(2) . . . . ?
F36 B3 F37 F31 -101.3(8) . . . . ?
F32 B3 F37 F31 16.6(6) . . . . ?
F32 F31 F37 F35 -2.0(18) . . . . ?
B3 F31 F37 F35 44.2(8) . . . . ?
F32 F31 F37 B3 -46.2(15) . . . . ?
B3 F36 F38 F33 -20.3(15) . . . . ?
F31 B3 F38 F36 -68.9(12) . . . . ?
F37 B3 F38 F36 34.5(16) . . . . ?
F34 B3 F38 F36 150.5(10) . . . . ?
F35 B3 F38 F36 104.3(12) . . . . ?
F33 B3 F38 F36 -166.9(10) . . . . ?
F32 B3 F38 F36 -101.4(10) . . . . ?
F31 B3 F38 F33 98.0(11) . . . . ?
F37 B3 F38 F33 -158.6(14) . . . . ?
F34 B3 F38 F33 -42.6(6) . . . . ?
F35 B3 F38 F33 -88.8(11) . . . . ?
F36 B3 F38 F33 166.9(10) . . . . ?
F32 B3 F38 F33 65.5(8) . . . . ?
F34 F33 F38 F36 74(2) . . . . ?
B3 F33 F38 F36 22.7(17) . . . . ?
F34 F33 F38 B3 51.0(8) . . . . ?
F48 B4 F41 F47 130.3(9) . . . . ?
F45 B4 F41 F47 -92.9(9) . . . . ?
F44 B4 F41 F47 -112.9(8) . . . . ?
F43 B4 F41 F47 114.3(11) . . . . ?
F42 B4 F41 F47 13.5(6) . . . . ?
F46 B4 F41 F47 -53(4) . . . . ?
F47 B4 F41 F44 112.9(8) . . . . ?
F48 B4 F41 F44 -116.7(8) . . . . ?
F45 B4 F41 F44 20.0(7) . . . . ?
F43 B4 F41 F44 -132.8(11) . . . . ?
F42 B4 F41 F44 126.4(8) . . . . ?
F46 B4 F41 F44 60(4) . . . . ?
F47 B4 F41 F48 -130.3(9) . . . . ?
F45 B4 F41 F48 136.8(11) . . . . ?
F44 B4 F41 F48 116.7(8) . . . . ?
F43 B4 F41 F48 -16.1(7) . . . . ?
F42 B4 F41 F48 -116.8(9) . . . . ?
F46 B4 F41 F48 177(100) . . . . ?
F48 B4 F42 F47 -104.7(13) . . . . ?
F45 B4 F42 F47 93.4(11) . . . . ?
F44 B4 F42 F47 52.0(12) . . . . ?
F43 B4 F42 F47 -141.2(11) . . . . ?
F41 B4 F42 F47 -21.1(10) . . . . ?
F46 B4 F42 F47 146.5(11) . . . . ?
F47 B4 F43 F48 104.1(12) . . . . ?
F45 B4 F43 F48 -125.6(13) . . . . ?
F44 B4 F43 F48 -65.0(14) . . . . ?
F41 B4 F43 F48 23.4(10) . . . . ?
F42 B4 F43 F48 130.2(10) . . . . ?
F46 B4 F43 F48 -159.5(10) . . . . ?
F47 B4 F44 F45 92.7(10) . . . . ?
F48 B4 F44 F45 -137.9(11) . . . . ?
F43 B4 F44 F45 -96.9(14) . . . . ?
F41 B4 F44 F45 153.9(10) . . . . ?
F42 B4 F44 F45 63.7(11) . . . . ?
F46 B4 F44 F45 -14.6(9) . . . . ?
F47 B4 F44 F41 -61.2(8) . . . . ?
F48 B4 F44 F41 68.1(9) . . . . ?
F45 B4 F44 F41 -153.9(10) . . . . ?
F43 B4 F44 F41 109.2(14) . . . . ?
F42 B4 F44 F41 -90.2(10) . . . . ?
F46 B4 F44 F41 -168.5(9) . . . . ?
B4 F41 F44 F45 -27.1(10) . . . . ?
F47 F41 F44 F45 17.8(11) . . . . ?
F48 F41 F44 F45 -67.3(10) . . . . ?
F47 F41 F44 B4 44.9(6) . . . . ?
F48 F41 F44 B4 -40.2(6) . . . . ?
F41 F44 F45 B4 25.0(9) . . . . ?
B4 F44 F45 F46 21.9(13) . . . . ?
F41 F44 F45 F46 46.9(18) . . . . ?
F47 B4 F45 F44 -96.8(10) . . . . ?
F48 B4 F45 F44 69.4(15) . . . . ?
F43 B4 F45 F44 125.0(11) . . . . ?
F41 B4 F45 F44 -26.0(9) . . . . ?
F42 B4 F45 F44 -134.5(9) . . . . ?
F46 B4 F45 F44 163.5(10) . . . . ?
F47 B4 F45 F46 99.7(9) . . . . ?
F48 B4 F45 F46 -94.1(14) . . . . ?
F44 B4 F45 F46 -163.5(10) . . . . ?
F43 B4 F45 F46 -38.6(10) . . . . ?
F41 B4 F45 F46 170.5(10) . . . . ?
F42 B4 F45 F46 62.0(7) . . . . ?
F44 F45 F46 B4 -21.5(13) . . . . ?
F47 B4 F46 F45 -93.9(9) . . . . ?
F48 B4 F46 F45 132.3(11) . . . . ?
F44 B4 F46 F45 12.3(7) . . . . ?
F43 B4 F46 F45 147.6(9) . . . . ?
F41 B4 F46 F45 -44(4) . . . . ?
F42 B4 F46 F45 -113.9(8) . . . . ?
B4 F42 F47 F41 35.9(16) . . . . ?
F48 B4 F47 F42 97.3(12) . . . . ?
F45 B4 F47 F42 -93.4(10) . . . . ?
F44 B4 F47 F42 -140.9(9) . . . . ?
F43 B4 F47 F42 46.7(13) . . . . ?
F41 B4 F47 F42 157.9(10) . . . . ?
F46 B4 F47 F42 -32.6(11) . . . . ?
F48 B4 F47 F41 -60.6(10) . . . . ?
F45 B4 F47 F41 108.7(8) . . . . ?
F44 B4 F47 F41 61.2(7) . . . . ?
F43 B4 F47 F41 -111.2(10) . . . . ?
F42 B4 F47 F41 -157.9(10) . . . . ?
F46 B4 F47 F41 169.5(9) . . . . ?
B4 F41 F47 F42 -41.5(18) . . . . ?
F44 F41 F47 F42 -90.1(19) . . . . ?
F48 F41 F47 F42 -8(2) . . . . ?
F44 F41 F47 B4 -48.5(7) . . . . ?
F48 F41 F47 B4 33.2(6) . . . . ?
B4 F43 F48 F41 -22.5(10) . . . . ?
F47 B4 F48 F43 -103.2(12) . . . . ?
F45 B4 F48 F43 92.7(15) . . . . ?
F44 B4 F48 F43 138.9(10) . . . . ?
F41 B4 F48 F43 -159.1(9) . . . . ?
F42 B4 F48 F43 -60.3(10) . . . . ?
F46 B4 F48 F43 21.7(11) . . . . ?
F47 B4 F48 F41 55.9(9) . . . . ?
F45 B4 F48 F41 -108.2(15) . . . . ?
F44 B4 F48 F41 -62.0(8) . . . . ?
F43 B4 F48 F41 159.1(9) . . . . ?
F42 B4 F48 F41 98.8(9) . . . . ?
F46 B4 F48 F41 -179.2(11) . . . . ?
B4 F41 F48 F43 26.6(12) . . . . ?
F47 F41 F48 F43 -8.9(13) . . . . ?
F44 F41 F48 F43 73.3(13) . . . . ?
F47 F41 F48 B4 -35.5(7) . . . . ?
F44 F41 F48 B4 46.7(7) . . . . ?
F55 B5 F51 F57 -133.1(12) . . . . ?
F56 B5 F51 F57 55.7(9) . . . . ?
F53 B5 F51 F57 82.8(12) . . . . ?
F54 B5 F51 F57 -150.7(13) . . . . ?
F52 B5 F51 F57 135.3(8) . . . . ?
F55 B5 F53 F56 156.0(16) . . . . ?
F51 B5 F53 F56 -57.9(17) . . . . ?
F57 B5 F53 F56 2.4(15) . . . . ?
F54 B5 F53 F56 159.9(15) . . . . ?
F52 B5 F53 F56 -113.0(14) . . . . ?
F51 B5 F54 F55 52(2) . . . . ?
F56 B5 F54 F55 -158(2) . . . . ?
F53 B5 F54 F55 -169(2) . . . . ?
F57 B5 F54 F55 -50(3) . . . . ?
F52 B5 F54 F55 121(2) . . . . ?
F51 B5 F55 F54 -138(2) . . . . ?
F56 B5 F55 F54 29(3) . . . . ?
F53 B5 F55 F54 11(2) . . . . ?
F57 B5 F55 F54 150(2) . . . . ?
F52 B5 F55 F54 -60(2) . . . . ?
F55 B5 F56 F53 -34(2) . . . . ?
F51 B5 F56 F53 134.1(15) . . . . ?
F57 B5 F56 F53 -177.5(15) . . . . ?
F54 B5 F56 F53 -23.1(17) . . . . ?
F52 B5 F56 F53 60.4(13) . . . . ?
F55 B5 F57 F51 95.4(17) . . . . ?
F56 B5 F57 F51 -122.7(10) . . . . ?
F53 B5 F57 F51 -124.0(10) . . . . ?
F54 B5 F57 F51 119(2) . . . . ?
F52 B5 F57 F51 -50.4(9) . . . . ?
F65 B6 F61 F62 -9.5(10) . . . . ?
F66 B6 F61 F62 142.6(11) . . . . ?
F67 B6 F61 F62 -100.4(14) . . . . ?
F68 B6 F61 F62 106.7(10) . . . . ?
F63 B6 F61 F62 -126.4(10) . . . . ?
F64 B6 F61 F62 93(3) . . . . ?
F66 B6 F62 F65 122.3(18) . . . . ?
F67 B6 F62 F65 -46.7(11) . . . . ?
F68 B6 F62 F65 118.3(11) . . . . ?
F63 B6 F62 F65 -100.9(12) . . . . ?
F61 B6 F62 F65 -169.9(11) . . . . ?
F64 B6 F62 F65 36.6(11) . . . . ?
F65 B6 F62 F61 169.9(11) . . . . ?
F66 B6 F62 F61 -67.8(17) . . . . ?
F67 B6 F62 F61 123.2(12) . . . . ?
F68 B6 F62 F61 -71.8(9) . . . . ?
F63 B6 F62 F61 69.0(11) . . . . ?
F64 B6 F62 F61 -153.5(11) . . . . ?
B6 F61 F62 F65 11.0(12) . . . . ?
F65 B6 F63 F67 33.7(12) . . . . ?
F62 B6 F63 F67 98.4(13) . . . . ?
F66 B6 F63 F67 -107.9(11) . . . . ?
F68 B6 F63 F67 -132.0(14) . . . . ?
F61 B6 F63 F67 153.0(11) . . . . ?
F64 B6 F63 F67 -42.3(11) . . . . ?
F65 B6 F64 F66 167.4(11) . . . . ?
F62 B6 F64 F66 135.3(13) . . . . ?
F67 B6 F64 F66 -114.1(10) . . . . ?
F68 B6 F64 F66 41.3(7) . . . . ?
F63 B6 F64 F66 -82.8(9) . . . . ?
F61 B6 F64 F66 56(3) . . . . ?
F62 B6 F64 F65 -32.2(10) . . . . ?
F66 B6 F64 F65 -167.4(11) . . . . ?
F67 B6 F64 F65 78.5(8) . . . . ?
F68 B6 F64 F65 -126.1(10) . . . . ?
F63 B6 F64 F65 109.8(10) . . . . ?
F61 B6 F64 F65 -112(3) . . . . ?
F65 B6 F64 F67 -78.5(8) . . . . ?
F62 B6 F64 F67 -110.6(12) . . . . ?
F66 B6 F64 F67 114.1(10) . . . . ?
F68 B6 F64 F67 155.5(11) . . . . ?
F63 B6 F64 F67 31.3(8) . . . . ?
F61 B6 F64 F67 170(3) . . . . ?
F61 F62 F65 B6 -11.6(13) . . . . ?
B6 F62 F65 F67 36.4(9) . . . . ?
F61 F62 F65 F67 24.8(17) . . . . ?
B6 F62 F65 F64 -33.2(10) . . . . ?
F61 F62 F65 F64 -44.8(17) . . . . ?
F66 B6 F65 F62 -129.4(16) . . . . ?
F67 B6 F65 F62 136.9(11) . . . . ?
F68 B6 F65 F62 -81.5(12) . . . . ?
F63 B6 F65 F62 111.7(11) . . . . ?
F61 B6 F65 F62 9.9(11) . . . . ?
F64 B6 F65 F62 -145.8(10) . . . . ?
F62 B6 F65 F67 -136.9(11) . . . . ?
F66 B6 F65 F67 93.7(16) . . . . ?
F68 B6 F65 F67 141.5(13) . . . . ?
F63 B6 F65 F67 -25.2(9) . . . . ?
F61 B6 F65 F67 -127.1(12) . . . . ?
F64 B6 F65 F67 77.3(8) . . . . ?
F62 B6 F65 F64 145.8(10) . . . . ?
F66 B6 F65 F64 16.4(14) . . . . ?
F67 B6 F65 F64 -77.3(8) . . . . ?
F68 B6 F65 F64 64.3(11) . . . . ?
F63 B6 F65 F64 -102.5(11) . . . . ?
F61 B6 F65 F64 155.7(12) . . . . ?
B6 F64 F65 F62 33.3(10) . . . . ?
F66 F64 F65 F62 23.3(13) . . . . ?
F67 F64 F65 F62 97.1(11) . . . . ?
F66 F64 F65 B6 -10.0(9) . . . . ?
F67 F64 F65 B6 63.7(7) . . . . ?
B6 F64 F65 F67 -63.7(7) . . . . ?
F66 F64 F65 F67 -73.8(8) . . . . ?
F65 B6 F66 F68 83.1(18) . . . . ?
F62 B6 F66 F68 -6(2) . . . . ?
F67 B6 F66 F68 163.8(13) . . . . ?
F63 B6 F66 F68 -149.8(12) . . . . ?
F61 B6 F66 F68 -60.8(12) . . . . ?
F64 B6 F66 F68 99.9(12) . . . . ?
F65 B6 F66 F64 -16.8(15) . . . . ?
F62 B6 F66 F64 -105.8(18) . . . . ?
F67 B6 F66 F64 64.0(9) . . . . ?
F68 B6 F66 F64 -99.9(12) . . . . ?
F63 B6 F66 F64 110.3(9) . . . . ?
F61 B6 F66 F64 -160.7(10) . . . . ?
B6 F64 F66 F68 -71.2(11) . . . . ?
F65 F64 F66 F68 -61.7(12) . . . . ?
F67 F64 F66 F68 -116.4(11) . . . . ?
F65 F64 F66 B6 9.5(8) . . . . ?
F67 F64 F66 B6 -45.2(7) . . . . ?
B6 F63 F67 F65 -25.9(9) . . . . ?
B6 F63 F67 F64 37.3(9) . . . . ?
F65 B6 F67 F63 -148.2(11) . . . . ?
F62 B6 F67 F63 -108.7(12) . . . . ?
F66 B6 F67 F63 78.6(11) . . . . ?
F68 B6 F67 F63 96.1(19) . . . . ?
F61 B6 F67 F63 -36.4(14) . . . . ?
F64 B6 F67 F63 138.3(11) . . . . ?
F62 B6 F67 F65 39.5(10) . . . . ?
F66 B6 F67 F65 -133.2(12) . . . . ?
F68 B6 F67 F65 -116(2) . . . . ?
F63 B6 F67 F65 148.2(11) . . . . ?
F61 B6 F67 F65 111.8(14) . . . . ?
F64 B6 F67 F65 -73.5(8) . . . . ?
F65 B6 F67 F64 73.5(8) . . . . ?
F62 B6 F67 F64 113.0(12) . . . . ?
F66 B6 F67 F64 -59.7(9) . . . . ?
F68 B6 F67 F64 -42.1(17) . . . . ?
F63 B6 F67 F64 -138.3(11) . . . . ?
F61 B6 F67 F64 -174.7(15) . . . . ?
F62 F65 F67 F63 -6.7(15) . . . . ?
B6 F65 F67 F63 32.3(11) . . . . ?
F64 F65 F67 F63 104.0(12) . . . . ?
F62 F65 F67 B6 -39.0(10) . . . . ?
F64 F65 F67 B6 71.7(8) . . . . ?
F62 F65 F67 F64 -110.7(11) . . . . ?
B6 F65 F67 F64 -71.7(8) . . . . ?
B6 F64 F67 F63 -42.8(11) . . . . ?
F66 F64 F67 F63 3.9(12) . . . . ?
F65 F64 F67 F63 -103.0(12) . . . . ?
F66 F64 F67 B6 46.7(8) . . . . ?
F65 F64 F67 B6 -60.2(7) . . . . ?
B6 F64 F67 F65 60.2(7) . . . . ?
F66 F64 F67 F65 106.9(8) . . . . ?
F64 F66 F68 B6 59.7(7) . . . . ?
F65 B6 F68 F66 -126.8(15) . . . . ?
F62 B6 F68 F66 176.1(13) . . . . ?
F67 B6 F68 F66 -26(2) . . . . ?
F63 B6 F68 F66 38.3(15) . . . . ?
F61 B6 F68 F66 118.4(12) . . . . ?
F64 B6 F68 F66 -67.2(11) . . . . ?
F86 B8 F82 F88 -109(2) . . . . ?
F83 B8 F82 F88 -109(2) . . . . ?
F84 B8 F82 F88 -140(10) . . . . ?
F81 B8 F82 F88 89.9(18) . . . . ?
F85 B8 F82 F88 0(100) . . . . ?
F87 B8 F82 F88 136(5) . . . . ?
F88 B8 F83 F84 123(2) . . . . ?
F86 B8 F83 F84 0(100) . . . . ?
F81 B8 F83 F84 -94(6) . . . . ?
F85 B8 F83 F84 -173(2) . . . . ?
F82 B8 F83 F84 -173(2) . . . . ?
F87 B8 F83 F84 -13.4(19) . . . . ?
F88 B8 F84 F87 111(5) . . . . ?
F86 B8 F84 F87 -146(5) . . . . ?
F83 B8 F84 F87 -146(5) . . . . ?
F81 B8 F84 F87 14(5) . . . . ?
F85 B8 F84 F87 -114(10) . . . . ?
F82 B8 F84 F87 -114(10) . . . . ?
F88 B8 F84 F83 -103(2) . . . . ?
F86 B8 F84 F83 0.0(18) . . . . ?
F81 B8 F84 F83 160(2) . . . . ?
F85 B8 F84 F83 32(10) . . . . ?
F82 B8 F84 F83 32(10) . . . . ?
F87 B8 F84 F83 146(5) . . . . ?
F88 B8 F84 F86 -103(2) . . . . ?
F83 B8 F84 F86 0.0(18) . . . . ?
F81 B8 F84 F86 160(2) . . . . ?
F85 B8 F84 F86 32(10) . . . . ?
F82 B8 F84 F86 32(10) . . . . ?
F87 B8 F84 F86 146(5) . . . . ?
B8 F83 F84 F87 43(5) . . . . ?
B8 F83 F84 F86 0(100) . . . . ?
F86 B8 F85 F88 -109(2) . . . . ?
F83 B8 F85 F88 -109(2) . . . . ?
F84 B8 F85 F88 -140(10) . . . . ?
F81 B8 F85 F88 89.9(18) . . . . ?
F82 B8 F85 F88 0(100) . . . . ?
F87 B8 F85 F88 136(5) . . . . ?
F88 B8 F86 F84 123(2) . . . . ?
F83 B8 F86 F84 0(100) . . . . ?
F81 B8 F86 F84 -94(6) . . . . ?
F85 B8 F86 F84 -173(2) . . . . ?
F82 B8 F86 F84 -173(2) . . . . ?
F87 B8 F86 F84 -13.4(19) . . . . ?
F87 F84 F86 B8 43(5) . . . . ?
F83 F84 F86 B8 0(100) . . . . ?
F83 F84 F87 B8 -32(4) . . . . ?
F86 F84 F87 B8 -32(4) . . . . ?
F88 B8 F87 F84 -88(5) . . . . ?
F86 B8 F87 F84 33(5) . . . . ?
F83 B8 F87 F84 33(5) . . . . ?
F81 B8 F87 F84 -166(5) . . . . ?
F85 B8 F87 F84 148(5) . . . . ?
F82 B8 F87 F84 148(5) . . . . ?
F86 B8 F88 F85 85(2) . . . . ?
F83 B8 F88 F85 85(2) . . . . ?
F84 B8 F88 F85 170(3) . . . . ?
F81 B8 F88 F85 -83.3(19) . . . . ?
F82 B8 F88 F85 0(2) . . . . ?
F87 B8 F88 F85 -160(3) . . . . ?
F86 B8 F88 F82 85(2) . . . . ?
F83 B8 F88 F82 85(2) . . . . ?
F84 B8 F88 F82 170(3) . . . . ?
F81 B8 F88 F82 -83.3(19) . . . . ?
F85 B8 F88 F82 0(2) . . . . ?
F87 B8 F88 F82 -160(3) . . . . ?
B8 F85 F88 F82 0(100) . . . . ?
B8 F82 F88 F85 0(100) . . . . ?
F95 B9 F91 F92 -69(3) . . . . ?
F96 B9 F91 F92 94.8(17) . . . . ?
F94 B9 F91 F92 50.9(14) . . . . ?
F93 B9 F91 F92 -11.1(16) . . . . ?
B9 F91 F92 F93 12.1(18) . . . . ?
B9 F91 F92 F94 -42.7(12) . . . . ?
F95 B9 F92 F91 147.8(19) . . . . ?
F96 B9 F92 F91 -104.8(17) . . . . ?
F94 B9 F92 F91 -125.7(15) . . . . ?
F93 B9 F92 F91 168.1(17) . . . . ?
F95 B9 F92 F93 -20.3(19) . . . . ?
F96 B9 F92 F93 87.0(18) . . . . ?
F91 B9 F92 F93 -168.1(17) . . . . ?
F94 B9 F92 F93 66.2(14) . . . . ?
F95 B9 F92 F94 -86.5(18) . . . . ?
F96 B9 F92 F94 20.8(16) . . . . ?
F91 B9 F92 F94 125.7(15) . . . . ?
F93 B9 F92 F94 -66.2(14) . . . . ?
F91 F92 F93 F95 9(3) . . . . ?
B9 F92 F93 F95 20.8(19) . . . . ?
F94 F92 F93 F95 87(2) . . . . ?
F91 F92 F93 F94 -78.2(18) . . . . ?
B9 F92 F93 F94 -66.2(11) . . . . ?
F91 F92 F93 B9 -12.0(17) . . . . ?
F94 F92 F93 B9 66.2(11) . . . . ?
F96 B9 F93 F95 98(2) . . . . ?
F91 B9 F93 F95 -146(2) . . . . ?
F92 B9 F93 F95 -156(2) . . . . ?
F94 B9 F93 F95 122(2) . . . . ?
F95 B9 F93 F92 156(2) . . . . ?
F96 B9 F93 F92 -105.5(16) . . . . ?
F91 B9 F93 F92 10.3(15) . . . . ?
F94 B9 F93 F92 -81.9(15) . . . . ?
F95 B9 F93 F94 -122(2) . . . . ?
F96 B9 F93 F94 -23.7(17) . . . . ?
F91 B9 F93 F94 92.2(18) . . . . ?
F92 B9 F93 F94 81.9(15) . . . . ?
F95 B9 F94 F96 -100(2) . . . . ?
F91 B9 F94 F96 108(2) . . . . ?
F92 B9 F94 F96 150(2) . . . . ?
F93 B9 F94 F96 -144(3) . . . . ?
F95 B9 F94 F93 43.8(17) . . . . ?
F96 B9 F94 F93 144(3) . . . . ?
F91 B9 F94 F93 -108.4(17) . . . . ?
F92 B9 F94 F93 -66.3(13) . . . . ?
F95 B9 F94 F92 110.1(16) . . . . ?
F96 B9 F94 F92 -150(2) . . . . ?
F91 B9 F94 F92 -42.1(11) . . . . ?
F93 B9 F94 F92 66.3(13) . . . . ?
F95 F93 F94 F96 -9(3) . . . . ?
F92 F93 F94 F96 102(3) . . . . ?
B9 F93 F94 F96 36(2) . . . . ?
F95 F93 F94 B9 -44.9(15) . . . . ?
F92 F93 F94 B9 65.8(10) . . . . ?
F95 F93 F94 F92 -110.8(17) . . . . ?
B9 F93 F94 F92 -65.8(10) . . . . ?
F91 F92 F94 F96 16(3) . . . . ?
B9 F92 F94 F96 -30(2) . . . . ?
F93 F92 F94 F96 -106(3) . . . . ?
F91 F92 F94 B9 45.3(12) . . . . ?
F93 F92 F94 B9 -76.2(13) . . . . ?
F91 F92 F94 F93 121.5(15) . . . . ?
B9 F92 F94 F93 76.2(13) . . . . ?
F92 F93 F95 B9 -21.6(19) . . . . ?
F94 F93 F95 B9 47.2(15) . . . . ?
F96 B9 F95 F93 -89.9(19) . . . . ?
F91 B9 F95 F93 75(3) . . . . ?
F92 B9 F95 F93 22(2) . . . . ?
F94 B9 F95 F93 -47.2(18) . . . . ?
F93 F94 F96 B9 -35(2) . . . . ?
F92 F94 F96 B9 26.8(19) . . . . ?
F95 B9 F96 F94 85(2) . . . . ?
F91 B9 F96 F94 -86(2) . . . . ?
F92 B9 F96 F94 -29(2) . . . . ?
F93 B9 F96 F94 31(2) . . . . ?
F107 B10 F101 F105 -86.0(18) . . . . ?
F104 B10 F101 F105 111(2) . . . . ?
F103 B10 F101 F105 -135.0(18) . . . . ?
F106 B10 F101 F105 -32.9(17) . . . . ?
F108 B10 F101 F105 33.2(18) . . . . ?
F102 B10 F101 F105 159.6(19) . . . . ?
F107 B10 F101 F102 114.3(13) . . . . ?
F104 B10 F101 F102 -48.5(17) . . . . ?
F105 B10 F101 F102 -159.6(19) . . . . ?
F103 B10 F101 F102 65.3(11) . . . . ?
F106 B10 F101 F102 167.4(12) . . . . ?
F108 B10 F101 F102 -126.5(12) . . . . ?
F107 B10 F102 F101 -96.8(14) . . . . ?
F104 B10 F102 F101 147.2(12) . . . . ?
F105 B10 F102 F101 11.6(11) . . . . ?
F103 B10 F102 F101 -120.6(11) . . . . ?
F106 B10 F102 F101 -37(3) . . . . ?
F108 B10 F102 F101 95.2(15) . . . . ?
F105 F101 F102 B10 -23(2) . . . . ?
F104 B10 F103 F107 -128.9(14) . . . . ?
F105 B10 F103 F107 58.5(19) . . . . ?
F101 B10 F103 F107 92.0(15) . . . . ?
F106 B10 F103 F107 -8.0(13) . . . . ?
F108 B10 F103 F107 -71.2(19) . . . . ?
F102 B10 F103 F107 150.6(14) . . . . ?
F107 B10 F104 F108 103.1(14) . . . . ?
F105 B10 F104 F108 -45.3(18) . . . . ?
F103 B10 F104 F108 142.5(12) . . . . ?
F101 B10 F104 F108 -95.5(18) . . . . ?
F106 B10 F104 F108 41.9(12) . . . . ?
F102 B10 F104 F108 -139.7(11) . . . . ?
F102 F101 F105 B10 21.1(19) . . . . ?
B10 F101 F105 F106 37.7(16) . . . . ?
F102 F101 F105 F106 59(3) . . . . ?
F107 B10 F105 F101 102.7(17) . . . . ?
F104 B10 F105 F101 -106(2) . . . . ?
F103 B10 F105 F101 64(2) . . . . ?
F106 B10 F105 F101 143.9(18) . . . . ?
F108 B10 F105 F101 -148.1(18) . . . . ?
F102 B10 F105 F101 -18.9(17) . . . . ?
F107 B10 F105 F106 -41.3(10) . . . . ?
F104 B10 F105 F106 110.4(19) . . . . ?
F103 B10 F105 F106 -80.3(16) . . . . ?
F101 B10 F105 F106 -143.9(18) . . . . ?
F108 B10 F105 F106 68.0(9) . . . . ?
F102 B10 F105 F106 -162.9(12) . . . . ?
F104 B10 F106 F107 102.9(15) . . . . ?
F105 B10 F106 F107 -125.9(13) . . . . ?
F103 B10 F106 F107 7.2(12) . . . . ?
F101 B10 F106 F107 -106.2(13) . . . . ?
F108 B10 F106 F107 146.0(13) . . . . ?
F102 B10 F106 F107 -73(3) . . . . ?
F107 B10 F106 F105 125.9(13) . . . . ?
F104 B10 F106 F105 -131.2(15) . . . . ?
F103 B10 F106 F105 133.2(12) . . . . ?
F101 B10 F106 F105 19.7(10) . . . . ?
F108 B10 F106 F105 -88.0(10) . . . . ?
F102 B10 F106 F105 53(3) . . . . ?
F107 B10 F106 F108 -146.0(13) . . . . ?
F104 B10 F106 F108 -43.2(13) . . . . ?
F105 B10 F106 F108 88.0(10) . . . . ?
F103 B10 F106 F108 -138.8(12) . . . . ?
F101 B10 F106 F108 107.7(11) . . . . ?
F102 B10 F106 F108 141(3) . . . . ?
F101 F105 F106 F107 -1(2) . . . . ?
B10 F105 F106 F107 42.4(10) . . . . ?
F101 F105 F106 B10 -43(2) . . . . ?
F101 F105 F106 F108 -107(2) . . . . ?
B10 F105 F106 F108 -63.8(9) . . . . ?
B10 F103 F107 F106 15(2) . . . . ?
B10 F106 F107 F103 -15(2) . . . . ?
F105 F106 F107 F103 -56(3) . . . . ?
F108 F106 F107 F103 14(3) . . . . ?
F105 F106 F107 B10 -40.8(10) . . . . ?
F108 F106 F107 B10 29.4(11) . . . . ?
F104 B10 F107 F103 61.1(16) . . . . ?
F105 B10 F107 F103 -140.5(14) . . . . ?
F101 B10 F107 F103 -105.1(14) . . . . ?
F106 B10 F107 F103 170.1(16) . . . . ?
F108 B10 F107 F103 137.2(14) . . . . ?
F102 B10 F107 F103 -33.0(15) . . . . ?
F104 B10 F107 F106 -109.0(15) . . . . ?
F105 B10 F107 F106 49.3(12) . . . . ?
F103 B10 F107 F106 -170.1(16) . . . . ?
F101 B10 F107 F106 84.8(12) . . . . ?
F108 B10 F107 F106 -32.9(13) . . . . ?
F102 B10 F107 F106 156.9(13) . . . . ?
F107 B10 F108 F104 -112.2(13) . . . . ?
F105 B10 F108 F104 149.9(13) . . . . ?
F103 B10 F108 F104 -65.0(17) . . . . ?
F101 B10 F108 F104 131.4(13) . . . . ?
F106 B10 F108 F104 -140.7(12) . . . . ?
F102 B10 F108 F104 56.5(14) . . . . ?
F107 B10 F108 F106 28.5(11) . . . . ?
F104 B10 F108 F106 140.7(12) . . . . ?
F105 B10 F108 F106 -69.4(9) . . . . ?
F103 B10 F108 F106 75.7(17) . . . . ?
F101 B10 F108 F106 -87.9(12) . . . . ?
F102 B10 F108 F106 -162.8(16) . . . . ?
B10 F104 F108 F106 -32.4(10) . . . . ?
F107 F106 F108 B10 -28.9(11) . . . . ?
F105 F106 F108 B10 58.9(8) . . . . ?
F107 F106 F108 F104 0.4(15) . . . . ?
B10 F106 F108 F104 29.3(9) . . . . ?
F105 F106 F108 F104 88.2(10) . . . . ?
F116 B11 F111 F112 -9(3) . . . . ?
F117 B11 F111 F112 -156.0(17) . . . . ?
F113 B11 F111 F112 -123.6(18) . . . . ?
F114 B11 F111 F112 93.8(16) . . . . ?
F115 B11 F111 F112 64.0(17) . . . . ?
F118 B11 F111 F112 -46.7(13) . . . . ?
F116 B11 F111 F118 37(2) . . . . ?
F112 B11 F111 F118 46.7(13) . . . . ?
F117 B11 F111 F118 -109.4(14) . . . . ?
F113 B11 F111 F118 -77.0(15) . . . . ?
F114 B11 F111 F118 140.4(13) . . . . ?
F115 B11 F111 F118 110.7(14) . . . . ?
F116 B11 F111 F114 -103(2) . . . . ?
F112 B11 F111 F114 -93.8(16) . . . . ?
F117 B11 F111 F114 110.2(14) . . . . ?
F113 B11 F111 F114 142.6(17) . . . . ?
F115 B11 F111 F114 -29.7(11) . . . . ?
F118 B11 F111 F114 -140.4(13) . . . . ?
B11 F111 F112 F118 79.6(14) . . . . ?
F114 F111 F112 F118 132.2(15) . . . . ?
F118 F111 F112 B11 -79.6(14) . . . . ?
F114 F111 F112 B11 52.6(8) . . . . ?
F111 B11 F112 F118 -97.0(19) . . . . ?
F116 B11 F112 F118 77.1(16) . . . . ?
F117 B11 F112 F118 -56(3) . . . . ?
F113 B11 F112 F118 -11(2) . . . . ?
F114 B11 F112 F118 -177.9(16) . . . . ?
F115 B11 F112 F118 141.2(16) . . . . ?
F116 B11 F112 F111 174.0(18) . . . . ?
F117 B11 F112 F111 41(3) . . . . ?
F113 B11 F112 F111 86(2) . . . . ?
F114 B11 F112 F111 -80.9(16) . . . . ?
F115 B11 F112 F111 -121.8(17) . . . . ?
F118 B11 F112 F111 97.0(19) . . . . ?
F111 B11 F113 F117 -76(2) . . . . ?
F116 B11 F113 F117 139(2) . . . . ?
F112 B11 F113 F117 -127(2) . . . . ?
F114 B11 F113 F117 31(3) . . . . ?
F115 B11 F113 F117 93(3) . . . . ?
F118 B11 F113 F117 -134(2) . . . . ?
F111 B11 F113 F116 144.2(18) . . . . ?
F112 B11 F113 F116 93.7(19) . . . . ?
F117 B11 F113 F116 -139(2) . . . . ?
F114 B11 F113 F116 -108(2) . . . . ?
F115 B11 F113 F116 -46.0(17) . . . . ?
F118 B11 F113 F116 86.5(11) . . . . ?
F111 B11 F114 F115 -134.2(17) . . . . ?
F116 B11 F114 F115 5.6(18) . . . . ?
F112 B11 F114 F115 -89.8(15) . . . . ?
F117 B11 F114 F115 123.8(17) . . . . ?
F113 B11 F114 F115 106(2) . . . . ?
F118 B11 F114 F115 -91.4(19) . . . . ?
F116 B11 F114 F111 139.8(15) . . . . ?
F112 B11 F114 F111 44.4(10) . . . . ?
F117 B11 F114 F111 -102.0(15) . . . . ?
F113 B11 F114 F111 -119(2) . . . . ?
F115 B11 F114 F111 134.2(17) . . . . ?
F118 B11 F114 F111 42.8(14) . . . . ?
F112 F111 F114 F115 -25(2) . . . . ?
B11 F111 F114 F115 45.4(16) . . . . ?
F118 F111 F114 F115 7(2) . . . . ?
F112 F111 F114 B11 -70.7(14) . . . . ?
F118 F111 F114 B11 -38.4(12) . . . . ?
F111 F114 F115 B11 -33.5(11) . . . . ?
B11 F114 F115 F116 -5.6(17) . . . . ?
F111 F114 F115 F116 -39(2) . . . . ?
F111 B11 F115 F114 48.6(18) . . . . ?
F116 B11 F115 F114 -174.0(19) . . . . ?
F112 B11 F115 F114 87.6(16) . . . . ?
F117 B11 F115 F114 -79(2) . . . . ?
F113 B11 F115 F114 -122(2) . . . . ?
F118 B11 F115 F114 114.1(17) . . . . ?
F111 B11 F115 F116 -137.4(16) . . . . ?
F112 B11 F115 F116 -98.4(13) . . . . ?
F117 B11 F115 F116 95.0(18) . . . . ?
F113 B11 F115 F116 52.4(19) . . . . ?
F114 B11 F115 F116 174.0(19) . . . . ?
F118 B11 F115 F116 -71.8(14) . . . . ?
F111 B11 F116 F115 90(2) . . . . ?
F112 B11 F116 F115 83.6(12) . . . . ?
F117 B11 F116 F115 -124.1(15) . . . . ?
F113 B11 F116 F115 -145.6(13) . . . . ?
F114 B11 F116 F115 -4.0(13) . . . . ?
F118 B11 F116 F115 122.0(12) . . . . ?
F111 B11 F116 F113 -124(3) . . . . ?
F112 B11 F116 F113 -130.8(14) . . . . ?
F117 B11 F116 F113 21.6(12) . . . . ?
F114 B11 F116 F113 141.6(15) . . . . ?
F115 B11 F116 F113 145.6(13) . . . . ?
F118 B11 F116 F113 -92.4(11) . . . . ?
F114 F115 F116 B11 6(2) . . . . ?
F114 F115 F116 F113 -19(2) . . . . ?
B11 F115 F116 F113 -25.7(9) . . . . ?
F117 F113 F116 B11 -41(2) . . . . ?
F117 F113 F116 F115 -11(2) . . . . ?
B11 F113 F116 F115 30.6(12) . . . . ?
F116 F113 F117 B11 30.3(13) . . . . ?
F111 B11 F117 F113 115(2) . . . . ?
F116 B11 F117 F113 -43(2) . . . . ?
F112 B11 F117 F113 87(3) . . . . ?
F114 B11 F117 F113 -159(2) . . . . ?
F115 B11 F117 F113 -116(2) . . . . ?
F118 B11 F117 F113 51(2) . . . . ?
B11 F112 F118 F111 66.3(13) . . . . ?
F111 F112 F118 B11 -66.3(13) . . . . ?
B11 F111 F118 F112 -82.1(17) . . . . ?
F114 F111 F118 F112 -50.3(17) . . . . ?
F112 F111 F118 B11 82.1(17) . . . . ?
F114 F111 F118 B11 31.8(10) . . . . ?
F111 B11 F118 F112 53.2(15) . . . . ?
F116 B11 F118 F112 -104.0(17) . . . . ?
F117 B11 F118 F112 146.7(18) . . . . ?
F113 B11 F118 F112 171.4(18) . . . . ?
F114 B11 F118 F112 3(2) . . . . ?
F115 B11 F118 F112 -44.6(18) . . . . ?
F116 B11 F118 F111 -157.1(15) . . . . ?
F112 B11 F118 F111 -53.2(15) . . . . ?
F117 B11 F118 F111 93.6(15) . . . . ?
F113 B11 F118 F111 118.2(14) . . . . ?
F114 B11 F118 F111 -50.6(16) . . . . ?
F115 B11 F118 F111 -97.7(15) . . . . ?
F126 B12 F121 F124 46.0(17) . . . . ?
F123 B12 F121 F124 -147.1(18) . . . . ?
F122 B12 F121 F124 71(4) . . . . ?
F127 B12 F121 F124 -155.5(18) . . . . ?
F124 B12 F121 F126 -46.0(17) . . . . ?
F123 B12 F121 F126 167.0(19) . . . . ?
F122 B12 F121 F126 25(3) . . . . ?
F127 B12 F121 F126 158.6(18) . . . . ?
F126 B12 F121 F127 -158.6(18) . . . . ?
F124 B12 F121 F127 155.5(18) . . . . ?
F123 B12 F121 F127 8.4(10) . . . . ?
F122 B12 F121 F127 -134(3) . . . . ?
F126 B12 F122 F125 -149(2) . . . . ?
F124 B12 F122 F125 -120(2) . . . . ?
F123 B12 F122 F125 51(2) . . . . ?
F127 B12 F122 F125 73(2) . . . . ?
F121 B12 F122 F125 -168(3) . . . . ?
F126 B12 F123 F127 1(3) . . . . ?
F124 B12 F123 F127 -41(2) . . . . ?
F122 B12 F123 F127 148.5(16) . . . . ?
F125 B12 F123 F127 172.8(16) . . . . ?
F121 B12 F123 F127 -14.3(16) . . . . ?
B12 F121 F124 F126 -68.3(16) . . . . ?
F127 F121 F124 F126 -91(2) . . . . ?
F126 F121 F124 B12 68.3(15) . . . . ?
F127 F121 F124 B12 -22.3(15) . . . . ?
F123 B12 F124 F126 127(3) . . . . ?
F122 B12 F124 F126 -64(3) . . . . ?
F127 B12 F124 F126 106(2) . . . . ?
F125 B12 F124 F126 -104(3) . . . . ?
F121 B12 F124 F126 84(2) . . . . ?
F126 B12 F124 F121 -84(2) . . . . ?
F123 B12 F124 F121 44(2) . . . . ?
F122 B12 F124 F121 -147(2) . . . . ?
F127 B12 F124 F121 22.6(16) . . . . ?
F125 B12 F124 F121 172.5(19) . . . . ?
F126 B12 F125 F122 42(3) . . . . ?
F124 B12 F125 F122 87(3) . . . . ?
F123 B12 F125 F122 -131(2) . . . . ?
F127 B12 F125 F122 -127(2) . . . . ?
B12 F124 F126 F121 -80.4(13) . . . . ?
F121 F124 F126 B12 80.4(13) . . . . ?
B12 F121 F126 F124 87.4(18) . . . . ?
F127 F121 F126 F124 106(2) . . . . ?
F124 F121 F126 B12 -87.4(18) . . . . ?
F127 F121 F126 B12 18.7(15) . . . . ?
F123 B12 F126 F124 -83(3) . . . . ?
F122 B12 F126 F124 130(2) . . . . ?
F127 B12 F126 F124 -82(2) . . . . ?
F125 B12 F126 F124 108(3) . . . . ?
F121 B12 F126 F124 -62(2) . . . . ?
F124 B12 F126 F121 62(2) . . . . ?
F123 B12 F126 F121 -21(3) . . . . ?
F122 B12 F126 F121 -168.2(17) . . . . ?
F127 B12 F126 F121 -20.5(17) . . . . ?
F125 B12 F126 F121 170(2) . . . . ?
B12 F123 F127 F121 16.7(18) . . . . ?
F126 B12 F127 F123 -179(2) . . . . ?
F124 B12 F127 F123 148.5(18) . . . . ?
F122 B12 F127 F123 -42(2) . . . . ?
F125 B12 F127 F123 -8.0(18) . . . . ?
F121 B12 F127 F123 164.3(18) . . . . ?
F126 B12 F127 F121 16.2(13) . . . . ?
F124 B12 F127 F121 -15.8(12) . . . . ?
F123 B12 F127 F121 -164.3(18) . . . . ?
F122 B12 F127 F121 153(2) . . . . ?
F125 B12 F127 F121 -172.3(17) . . . . ?
F124 F121 F127 F123 6(3) . . . . ?
F126 F121 F127 F123 -37(3) . . . . ?
B12 F121 F127 F123 -18(2) . . . . ?
F124 F121 F127 B12 24.1(17) . . . . ?
F126 F121 F127 B12 -18.7(15) . . . . ?
F137 B13 F131 F132 63(4) . . . . ?
F134 B13 F131 F132 -77(4) . . . . ?
F133 B13 F131 F132 -120(4) . . . . ?
F136 B13 F131 F132 12(4) . . . . ?
F138 B13 F131 F132 -50(5) . . . . ?
F135 B13 F131 F132 -38(4) . . . . ?
F137 B13 F131 F133 -177(2) . . . . ?
F134 B13 F131 F133 43.0(16) . . . . ?
F136 B13 F131 F133 132.4(18) . . . . ?
F138 B13 F131 F133 71(3) . . . . ?
F135 B13 F131 F133 82.3(19) . . . . ?
F132 B13 F131 F133 120(4) . . . . ?
F137 B13 F131 F136 50.3(18) . . . . ?
F134 B13 F131 F136 -89.4(16) . . . . ?
F133 B13 F131 F136 -132.4(18) . . . . ?
F138 B13 F131 F136 -62(3) . . . . ?
F135 B13 F131 F136 -50.1(18) . . . . ?
F132 B13 F131 F136 -12(4) . . . . ?
F133 F131 F132 F136 -81(7) . . . . ?
B13 F131 F132 F136 -22(6) . . . . ?
F133 F131 F132 B13 -59(2) . . . . ?
F136 F131 F132 B13 22(6) . . . . ?
B13 F131 F132 F133 59(2) . . . . ?
F136 F131 F132 F133 81(7) . . . . ?
F137 B13 F132 F131 -125(4) . . . . ?
F134 B13 F132 F131 108(4) . . . . ?
F133 B13 F132 F131 51(4) . . . . ?
F136 B13 F132 F131 -163(5) . . . . ?
F138 B13 F132 F131 145(4) . . . . ?
F135 B13 F132 F131 146(4) . . . . ?
F137 B13 F132 F136 38(2) . . . . ?
F131 B13 F132 F136 163(5) . . . . ?
F134 B13 F132 F136 -89(2) . . . . ?
F133 B13 F132 F136 -146(2) . . . . ?
F138 B13 F132 F136 -52(3) . . . . ?
F135 B13 F132 F136 -51(2) . . . . ?
F137 B13 F132 F133 -176.1(18) . . . . ?
F131 B13 F132 F133 -51(4) . . . . ?
F134 B13 F132 F133 56.5(13) . . . . ?
F136 B13 F132 F133 146(2) . . . . ?
F138 B13 F132 F133 94(2) . . . . ?
F135 B13 F132 F133 95.2(15) . . . . ?
F132 F131 F133 B13 74(4) . . . . ?
F136 F131 F133 B13 43.5(15) . . . . ?
F132 F131 F133 F134 34(4) . . . . ?
B13 F131 F133 F134 -40.0(14) . . . . ?
F136 F131 F133 F134 4(2) . . . . ?
B13 F131 F133 F132 -74(4) . . . . ?
F136 F131 F133 F132 -31(3) . . . . ?
F134 B13 F133 F131 -132.7(19) . . . . ?
F136 B13 F133 F131 -40.5(16) . . . . ?
F138 B13 F133 F131 -145.0(18) . . . . ?
F135 B13 F133 F131 -117.1(17) . . . . ?
F132 B13 F133 F131 -19.6(16) . . . . ?
F131 B13 F133 F134 132.7(19) . . . . ?
F136 B13 F133 F134 92.2(16) . . . . ?
F138 B13 F133 F134 -12.3(16) . . . . ?
F135 B13 F133 F134 15.6(16) . . . . ?
F132 B13 F133 F134 113.1(16) . . . . ?
F131 B13 F133 F132 19.6(16) . . . . ?
F134 B13 F133 F132 -113.1(16) . . . . ?
F136 B13 F133 F132 -20.9(14) . . . . ?
F138 B13 F133 F132 -125.4(17) . . . . ?
F135 B13 F133 F132 -97.5(15) . . . . ?
F136 F132 F133 F131 130(5) . . . . ?
B13 F132 F133 F131 95(4) . . . . ?
F131 F132 F133 B13 -95(4) . . . . ?
F136 F132 F133 B13 35(2) . . . . ?
F131 F132 F133 F134 -147(4) . . . . ?
F136 F132 F133 F134 -17(3) . . . . ?
B13 F132 F133 F134 -51.6(12) . . . . ?
F137 B13 F134 F135 -24(3) . . . . ?
F131 B13 F134 F135 114(2) . . . . ?
F133 B13 F134 F135 154(3) . . . . ?
F136 B13 F134 F135 54(2) . . . . ?
F138 B13 F134 F135 -43(2) . . . . ?
F132 B13 F134 F135 93(2) . . . . ?
F137 B13 F134 F138 19(2) . . . . ?
F131 B13 F134 F138 157(2) . . . . ?
F133 B13 F134 F138 -163(2) . . . . ?
F136 B13 F134 F138 96.9(19) . . . . ?
F135 B13 F134 F138 43(2) . . . . ?
F132 B13 F134 F138 136(2) . . . . ?
F137 B13 F134 F133 -178(2) . . . . ?
F131 B13 F134 F133 -40.4(16) . . . . ?
F136 B13 F134 F133 -100.4(15) . . . . ?
F138 B13 F134 F133 163(2) . . . . ?
F135 B13 F134 F133 -154(3) . . . . ?
F132 B13 F134 F133 -61.7(15) . . . . ?
F131 F133 F134 F135 10(4) . . . . ?
B13 F133 F134 F135 -30(3) . . . . ?
F132 F133 F134 F135 20(3) . . . . ?
F131 F133 F134 F138 60(3) . . . . ?
B13 F133 F134 F138 20(3) . . . . ?
F132 F133 F134 F138 69(3) . . . . ?
F131 F133 F134 B13 40.4(14) . . . . ?
F132 F133 F134 B13 49.8(11) . . . . ?
B13 F134 F135 F138 78(2) . . . . ?
F133 F134 F135 F138 104(3) . . . . ?
F138 F134 F135 B13 -78(2) . . . . ?
F133 F134 F135 B13 27(2) . . . . ?
F138 F134 F135 F136 -120(3) . . . . ?
B13 F134 F135 F136 -41.9(13) . . . . ?
F133 F134 F135 F136 -15(3) . . . . ?
F137 B13 F135 F138 76(3) . . . . ?
F131 B13 F135 F138 -165(3) . . . . ?
F134 B13 F135 F138 -84(3) . . . . ?
F133 B13 F135 F138 -107(3) . . . . ?
F136 B13 F135 F138 152(3) . . . . ?
F132 B13 F135 F138 -179(3) . . . . ?
F137 B13 F135 F134 160(2) . . . . ?
F131 B13 F135 F134 -81(3) . . . . ?
F133 B13 F135 F134 -23(2) . . . . ?
F136 B13 F135 F134 -124(2) . . . . ?
F138 B13 F135 F134 84(3) . . . . ?
F132 B13 F135 F134 -94(2) . . . . ?
F137 B13 F135 F136 -76.2(13) . . . . ?
F131 B13 F135 F136 42.9(16) . . . . ?
F134 B13 F135 F136 124(2) . . . . ?
F133 B13 F135 F136 101.1(14) . . . . ?
F138 B13 F135 F136 -152(3) . . . . ?
F132 B13 F135 F136 29.7(13) . . . . ?
B13 F132 F136 F131 -23(6) . . . . ?
F133 F132 F136 F131 -52(6) . . . . ?
F131 F132 F136 B13 23(6) . . . . ?
F133 F132 F136 B13 -29.5(18) . . . . ?
F131 F132 F136 F137 -8(8) . . . . ?
B13 F132 F136 F137 -30.8(16) . . . . ?
F133 F132 F136 F137 -60(3) . . . . ?
F131 F132 F136 F135 64(7) . . . . ?
B13 F132 F136 F135 41.1(14) . . . . ?
F133 F132 F136 F135 12(3) . . . . ?
F133 F131 F136 F132 111(7) . . . . ?
B13 F131 F136 F132 154(7) . . . . ?
F132 F131 F136 B13 -154(7) . . . . ?
F133 F131 F136 B13 -43.8(15) . . . . ?
F132 F131 F136 F137 172(7) . . . . ?
F133 F131 F136 F137 -76.9(19) . . . . ?
B13 F131 F136 F137 -33.1(12) . . . . ?
F132 F131 F136 F135 -120(7) . . . . ?
F133 F131 F136 F135 -9(2) . . . . ?
B13 F131 F136 F135 34.7(12) . . . . ?
F137 B13 F136 F132 -142(2) . . . . ?
F131 B13 F136 F132 -7(2) . . . . ?
F134 B13 F136 F132 97(2) . . . . ?
F133 B13 F136 F132 33(2) . . . . ?
F138 B13 F136 F132 141(2) . . . . ?
F135 B13 F136 F132 128(2) . . . . ?
F137 B13 F136 F131 -135.2(17) . . . . ?
F134 B13 F136 F131 104.0(16) . . . . ?
F133 B13 F136 F131 40.0(15) . . . . ?
F138 B13 F136 F131 148.3(17) . . . . ?
F135 B13 F136 F131 135.1(17) . . . . ?
F132 B13 F136 F131 7(2) . . . . ?
F131 B13 F136 F137 135.2(17) . . . . ?
F134 B13 F136 F137 -120.7(16) . . . . ?
F133 B13 F136 F137 175.2(17) . . . . ?
F138 B13 F136 F137 -76.5(14) . . . . ?
F135 B13 F136 F137 -89.6(14) . . . . ?
F132 B13 F136 F137 142(2) . . . . ?
F137 B13 F136 F135 89.6(14) . . . . ?
F131 B13 F136 F135 -135.1(17) . . . . ?
F134 B13 F136 F135 -31.1(14) . . . . ?
F133 B13 F136 F135 -95.2(15) . . . . ?
F138 B13 F136 F135 13.2(15) . . . . ?
F132 B13 F136 F135 -128(2) . . . . ?
F138 F135 F136 F132 -85(4) . . . . ?
F134 F135 F136 F132 0(3) . . . . ?
B13 F135 F136 F132 -52(2) . . . . ?
F138 F135 F136 F131 -70(4) . . . . ?
F134 F135 F136 F131 15(3) . . . . ?
B13 F135 F136 F131 -37.7(14) . . . . ?
F138 F135 F136 B13 -32(3) . . . . ?
F134 F135 F136 B13 53(2) . . . . ?
F138 F135 F136 F137 24(4) . . . . ?
F134 F135 F136 F137 109(2) . . . . ?
B13 F135 F136 F137 56.7(11) . . . . ?
F131 B13 F137 F136 -43.0(16) . . . . ?
F134 B13 F137 F136 90.2(19) . . . . ?
F138 B13 F137 F136 103.5(14) . . . . ?
F135 B13 F137 F136 75.8(13) . . . . ?
F132 B13 F137 F136 -23.2(14) . . . . ?
F131 B13 F137 F138 -146(2) . . . . ?
F134 B13 F137 F138 -13.3(17) . . . . ?
F136 B13 F137 F138 -103.5(14) . . . . ?
F135 B13 F137 F138 -27.7(13) . . . . ?
F132 B13 F137 F138 -126.7(17) . . . . ?
F132 F136 F137 B13 40(2) . . . . ?
F131 F136 F137 B13 37.4(14) . . . . ?
F135 F136 F137 B13 -59.9(11) . . . . ?
F132 F136 F137 F138 91(2) . . . . ?
F131 F136 F137 F138 89.1(15) . . . . ?
B13 F136 F137 F138 51.7(11) . . . . ?
F135 F136 F137 F138 -8.2(11) . . . . ?
B13 F135 F138 F134 71.7(15) . . . . ?
F136 F135 F138 F134 98(3) . . . . ?
F134 F135 F138 B13 -71.7(15) . . . . ?
F136 F135 F138 B13 26(3) . . . . ?
F134 F135 F138 F137 -118.8(18) . . . . ?
B13 F135 F138 F137 -47.1(9) . . . . ?
F136 F135 F138 F137 -21(3) . . . . ?
B13 F134 F138 F135 -87(2) . . . . ?
F133 F134 F138 F135 -105(3) . . . . ?
F135 F134 F138 B13 87(2) . . . . ?
F133 F134 F138 B13 -18(2) . . . . ?
F135 F134 F138 F137 74(3) . . . . ?
B13 F134 F138 F137 -13.4(17) . . . . ?
F133 F134 F138 F137 -31(3) . . . . ?
F137 B13 F138 F135 -101(3) . . . . ?
F131 B13 F138 F135 22(4) . . . . ?
F134 B13 F138 F135 63(3) . . . . ?
F133 B13 F138 F135 78(3) . . . . ?
F136 B13 F138 F135 -28(3) . . . . ?
F132 B13 F138 F135 2(4) . . . . ?
F137 B13 F138 F134 -164(2) . . . . ?
F131 B13 F138 F134 -40(3) . . . . ?
F133 B13 F138 F134 16(2) . . . . ?
F136 B13 F138 F134 -90(2) . . . . ?
F135 B13 F138 F134 -63(3) . . . . ?
F132 B13 F138 F134 -61(2) . . . . ?
F131 B13 F138 F137 123(3) . . . . ?
F134 B13 F138 F137 164(2) . . . . ?
F133 B13 F138 F137 179.5(18) . . . . ?
F136 B13 F138 F137 73.2(14) . . . . ?
F135 B13 F138 F137 101(3) . . . . ?
F132 B13 F138 F137 103(2) . . . . ?
B13 F137 F138 F135 73(3) . . . . ?
F136 F137 F138 F135 19(3) . . . . ?
B13 F137 F138 F134 17(2) . . . . ?
F136 F137 F138 F134 -37(2) . . . . ?
F136 F137 F138 B13 -53.7(11) . . . . ?
F194 B19 F191 F193 116(3) . . . . ?
F193 B19 F191 F194 -116(3) . . . . ?
F194 F191 F193 B19 54.7(18) . . . . ?
B19 F191 F193 F194 -54.7(18) . . . . ?
F194 B19 F193 F191 -50(3) . . . . ?
F192 B19 F193 F191 -170(5) . . . . ?
F191 B19 F193 F194 50(3) . . . . ?
F192 B19 F193 F194 -120(6) . . . . ?
F193 F191 F194 B19 -63(2) . . . . ?
B19 F191 F194 F193 63(2) . . . . ?
F193 B19 F194 F191 32.9(18) . . . . ?
F192 B19 F194 F191 -176(3) . . . . ?
F191 B19 F194 F193 -32.9(18) . . . . ?
F192 B19 F194 F193 151(3) . . . . ?
B19 F193 F194 F191 -99(3) . . . . ?
F191 F193 F194 B19 99(3) . . . . ?
F155 B15 F151 F152 44(2) . . . . ?
F158 B15 F151 F152 -65(2) . . . . ?
F154 B15 F151 F152 -95(2) . . . . ?
F156 B15 F151 F152 147(2) . . . . ?
F157 B15 F151 F152 17(2) . . . . ?
F153 B15 F151 F152 161(2) . . . . ?
F155 B15 F151 F156 -102.5(13) . . . . ?
F158 B15 F151 F156 148.4(12) . . . . ?
F154 B15 F151 F156 118.1(15) . . . . ?
F157 B15 F151 F156 -130.2(12) . . . . ?
F153 B15 F151 F156 14.3(19) . . . . ?
F152 B15 F151 F156 -147(2) . . . . ?
B15 F151 F152 F157 -24(3) . . . . ?
F156 F151 F152 F157 7(4) . . . . ?
F156 F151 F152 B15 31.5(18) . . . . ?
F155 B15 F152 F151 -137(2) . . . . ?
F158 B15 F152 F151 115(2) . . . . ?
F154 B15 F152 F151 104(2) . . . . ?
F156 B15 F152 F151 -31(2) . . . . ?
F157 B15 F152 F151 -160(2) . . . . ?
F153 B15 F152 F151 -60(6) . . . . ?
F155 B15 F152 F157 22.4(12) . . . . ?
F158 B15 F152 F157 -85.4(11) . . . . ?
F154 B15 F152 F157 -96.3(15) . . . . ?
F156 B15 F152 F157 128.8(13) . . . . ?
F151 B15 F152 F157 160(2) . . . . ?
F153 B15 F152 F157 99(6) . . . . ?
F155 B15 F153 F154 -118.0(12) . . . . ?
F158 B15 F153 F154 -9.1(11) . . . . ?
F156 B15 F153 F154 135.4(12) . . . . ?
F157 B15 F153 F154 -103.8(15) . . . . ?
F151 B15 F153 F154 122(2) . . . . ?
F152 B15 F153 F154 166(6) . . . . ?
F155 B15 F154 F158 -84.2(17) . . . . ?
F156 B15 F154 F158 138.2(17) . . . . ?
F157 B15 F154 F158 -44.7(17) . . . . ?
F151 B15 F154 F158 50.9(18) . . . . ?
F153 B15 F154 F158 -166.7(16) . . . . ?
F152 B15 F154 F158 16.8(18) . . . . ?
F155 B15 F154 F153 82.6(13) . . . . ?
F158 B15 F154 F153 166.7(16) . . . . ?
F156 B15 F154 F153 -55.1(13) . . . . ?
F157 B15 F154 F153 122.0(14) . . . . ?
F151 B15 F154 F153 -142.4(15) . . . . ?
F152 B15 F154 F153 -176.5(15) . . . . ?
B15 F153 F154 F158 15.1(18) . . . . ?
F158 B15 F155 F157 49.0(18) . . . . ?
F154 B15 F155 F157 91.2(19) . . . . ?
F156 B15 F155 F157 -124.4(17) . . . . ?
F151 B15 F155 F157 -51.6(18) . . . . ?
F153 B15 F155 F157 160.2(17) . . . . ?
F152 B15 F155 F157 -32.0(17) . . . . ?
F155 B15 F156 F151 100.3(12) . . . . ?
F158 B15 F156 F151 -68(2) . . . . ?
F154 B15 F156 F151 -118.4(16) . . . . ?
F157 B15 F156 F151 64.8(13) . . . . ?
F153 B15 F156 F151 -171.3(12) . . . . ?
F152 B15 F156 F151 15.1(10) . . . . ?
F152 F151 F156 B15 -39(2) . . . . ?
B15 F155 F157 F152 39.8(17) . . . . ?
F151 F152 F157 F155 -14(4) . . . . ?
B15 F152 F157 F155 -40.2(18) . . . . ?
F151 F152 F157 B15 27(3) . . . . ?
F158 B15 F157 F155 -133.2(18) . . . . ?
F154 B15 F157 F155 -105.9(19) . . . . ?
F156 B15 F157 F155 71(2) . . . . ?
F151 B15 F157 F155 130.2(18) . . . . ?
F153 B15 F157 F155 -25(2) . . . . ?
F152 B15 F157 F155 140(2) . . . . ?
F155 B15 F157 F152 -140(2) . . . . ?
F158 B15 F157 F152 86.9(11) . . . . ?
F154 B15 F157 F152 114.3(14) . . . . ?
F156 B15 F157 F152 -68.6(15) . . . . ?
F151 B15 F157 F152 -9.7(12) . . . . ?
F153 B15 F157 F152 -164.6(15) . . . . ?
F153 F154 F158 B15 -13.6(16) . . . . ?
F155 B15 F158 F154 112.4(16) . . . . ?
F156 B15 F158 F154 -79(2) . . . . ?
F157 B15 F158 F154 139.0(16) . . . . ?
F151 B15 F158 F154 -140.0(15) . . . . ?
F153 B15 F158 F154 13.3(16) . . . . ?
F152 B15 F158 F154 -165.7(16) . . . . ?
F167 B16 F161 F168 -175(9) . . . . ?
F162 B16 F161 F168 -177(5) . . . . ?
F165 B16 F161 F168 -147(4) . . . . ?
F164 B16 F161 F168 -147(4) . . . . ?
F163 B16 F161 F168 0(100) . . . . ?
F166 B16 F161 F168 -176(4) . . . . ?
F168 B16 F161 F162 177(5) . . . . ?
F167 B16 F161 F162 3(9) . . . . ?
F165 B16 F161 F162 30(3) . . . . ?
F164 B16 F161 F162 30(3) . . . . ?
F163 B16 F161 F162 0(100) . . . . ?
F166 B16 F161 F162 1(2) . . . . ?
F168 F161 F162 F166 1(9) . . . . ?
B16 F161 F162 F166 -2(5) . . . . ?
F168 F161 F162 F163 0(100) . . . . ?
B16 F161 F162 F163 0(100) . . . . ?
F168 F161 F162 B16 3(6) . . . . ?
F168 B16 F162 F166 177(3) . . . . ?
F167 B16 F162 F166 -1(3) . . . . ?
F165 B16 F162 F166 17(3) . . . . ?
F164 B16 F162 F166 17(3) . . . . ?
F161 B16 F162 F166 178(3) . . . . ?
F163 B16 F162 F166 178(3) . . . . ?
F168 B16 F162 F163 -1(2) . . . . ?
F167 B16 F162 F163 -179(2) . . . . ?
F165 B16 F162 F163 -162(2) . . . . ?
F164 B16 F162 F163 -162(2) . . . . ?
F161 B16 F162 F163 0(2) . . . . ?
F166 B16 F162 F163 -178(3) . . . . ?
F168 B16 F162 F161 -1(2) . . . . ?
F167 B16 F162 F161 -179(2) . . . . ?
F165 B16 F162 F161 -162(2) . . . . ?
F164 B16 F162 F161 -162(2) . . . . ?
F163 B16 F162 F161 0(2) . . . . ?
F166 B16 F162 F161 -178(3) . . . . ?
F166 F162 F163 F168 1(9) . . . . ?
F161 F162 F163 F168 0(100) . . . . ?
B16 F162 F163 F168 3(6) . . . . ?
F166 F162 F163 B16 -2(5) . . . . ?
F161 F162 F163 B16 0(100) . . . . ?
F167 B16 F163 F168 -175(9) . . . . ?
F162 B16 F163 F168 -177(5) . . . . ?
F165 B16 F163 F168 -147(4) . . . . ?
F164 B16 F163 F168 -147(4) . . . . ?
F161 B16 F163 F168 0(100) . . . . ?
F166 B16 F163 F168 -176(4) . . . . ?
F168 B16 F163 F162 177(5) . . . . ?
F167 B16 F163 F162 3(9) . . . . ?
F165 B16 F163 F162 30(3) . . . . ?
F164 B16 F163 F162 30(3) . . . . ?
F161 B16 F163 F162 0(100) . . . . ?
F166 B16 F163 F162 1(2) . . . . ?
F168 B16 F164 F167 155(5) . . . . ?
F162 B16 F164 F167 -140(4) . . . . ?
F165 B16 F164 F167 0(100) . . . . ?
F161 B16 F164 F167 -165(4) . . . . ?
F163 B16 F164 F167 -165(4) . . . . ?
F166 B16 F164 F167 -127(4) . . . . ?
F168 B16 F164 F166 -78(5) . . . . ?
F167 B16 F164 F166 127(4) . . . . ?
F162 B16 F164 F166 -13(2) . . . . ?
F165 B16 F164 F166 0(100) . . . . ?
F161 B16 F164 F166 -38(3) . . . . ?
F163 B16 F164 F166 -38(3) . . . . ?
F168 B16 F165 F167 155(5) . . . . ?
F162 B16 F165 F167 -140(4) . . . . ?
F164 B16 F165 F167 0(100) . . . . ?
F161 B16 F165 F167 -165(4) . . . . ?
F163 B16 F165 F167 -165(4) . . . . ?
F166 B16 F165 F167 -127(4) . . . . ?
F168 B16 F165 F166 -78(5) . . . . ?
F167 B16 F165 F166 127(4) . . . . ?
F162 B16 F165 F166 -13(2) . . . . ?
F164 B16 F165 F166 0(100) . . . . ?
F161 B16 F165 F166 -38(3) . . . . ?
F163 B16 F165 F166 -38(3) . . . . ?
F163 F162 F166 F165 -21(7) . . . . ?
F161 F162 F166 F165 -21(7) . . . . ?
B16 F162 F166 F165 -23(3) . . . . ?
F163 F162 F166 F164 -21(7) . . . . ?
F161 F162 F166 F164 -21(7) . . . . ?
B16 F162 F166 F164 -23(3) . . . . ?
F163 F162 F166 B16 2(4) . . . . ?
F161 F162 F166 B16 2(4) . . . . ?
F163 F162 F166 F167 3(6) . . . . ?
F161 F162 F166 F167 3(6) . . . . ?
B16 F162 F166 F167 1(3) . . . . ?
F167 F165 F166 F162 81(5) . . . . ?
B16 F165 F166 F162 24(4) . . . . ?
F167 F165 F166 F164 0(100) . . . . ?
B16 F165 F166 F164 0(100) . . . . ?
F167 F165 F166 B16 56(3) . . . . ?
B16 F165 F166 F167 -56(3) . . . . ?
F167 F164 F166 F162 81(5) . . . . ?
B16 F164 F166 F162 24(4) . . . . ?
F167 F164 F166 F165 0(100) . . . . ?
B16 F164 F166 F165 0(100) . . . . ?
F167 F164 F166 B16 56(3) . . . . ?
B16 F164 F166 F167 -56(3) . . . . ?
F168 B16 F166 F162 -3(3) . . . . ?
F167 B16 F166 F162 179(3) . . . . ?
F165 B16 F166 F162 -159(3) . . . . ?
F164 B16 F166 F162 -159(3) . . . . ?
F161 B16 F166 F162 -1(3) . . . . ?
F163 B16 F166 F162 -1(3) . . . . ?
F168 B16 F166 F165 155(2) . . . . ?
F167 B16 F166 F165 -22.3(18) . . . . ?
F162 B16 F166 F165 159(3) . . . . ?
F164 B16 F166 F165 0(2) . . . . ?
F161 B16 F166 F165 157(2) . . . . ?
F163 B16 F166 F165 157(2) . . . . ?
F168 B16 F166 F164 155(2) . . . . ?
F167 B16 F166 F164 -22.3(18) . . . . ?
F162 B16 F166 F164 159(3) . . . . ?
F165 B16 F166 F164 0(2) . . . . ?
F161 B16 F166 F164 157(2) . . . . ?
F163 B16 F166 F164 157(2) . . . . ?
F168 B16 F166 F167 178(3) . . . . ?
F162 B16 F166 F167 -179(3) . . . . ?
F165 B16 F166 F167 22.3(18) . . . . ?
F164 B16 F166 F167 22.3(18) . . . . ?
F161 B16 F166 F167 180(2) . . . . ?
F163 B16 F166 F167 180(2) . . . . ?
F166 F165 F167 F164 0(100) . . . . ?
B16 F165 F167 F164 0(100) . . . . ?
F166 F165 F167 B16 -53(3) . . . . ?
B16 F165 F167 F166 53(3) . . . . ?
F166 F164 F167 F165 0(100) . . . . ?
B16 F164 F167 F165 0(100) . . . . ?
F166 F164 F167 B16 -53(3) . . . . ?
B16 F164 F167 F166 53(3) . . . . ?
F168 B16 F167 F165 -129(11) . . . . ?
F162 B16 F167 F165 42(4) . . . . ?
F164 B16 F167 F165 0(4) . . . . ?
F161 B16 F167 F165 40(10) . . . . ?
F163 B16 F167 F165 40(10) . . . . ?
F166 B16 F167 F165 42(3) . . . . ?
F168 B16 F167 F164 -129(11) . . . . ?
F162 B16 F167 F164 42(4) . . . . ?
F165 B16 F167 F164 0(4) . . . . ?
F161 B16 F167 F164 40(10) . . . . ?
F163 B16 F167 F164 40(10) . . . . ?
F166 B16 F167 F164 42(3) . . . . ?
F168 B16 F167 F166 -170(11) . . . . ?
F162 B16 F167 F166 0.7(19) . . . . ?
F165 B16 F167 F166 -42(3) . . . . ?
F164 B16 F167 F166 -42(3) . . . . ?
F161 B16 F167 F166 -2(9) . . . . ?
F163 B16 F167 F166 -2(9) . . . . ?
F162 F166 F167 F165 -113(5) . . . . ?
F164 F166 F167 F165 0(4) . . . . ?
B16 F166 F167 F165 -112(4) . . . . ?
F162 F166 F167 F164 -113(5) . . . . ?
F165 F166 F167 F164 0(4) . . . . ?
B16 F166 F167 F164 -112(4) . . . . ?
F162 F166 F167 B16 -1(3) . . . . ?
F165 F166 F167 B16 112(4) . . . . ?
F164 F166 F167 B16 112(4) . . . . ?
F162 F163 F168 F161 0(100) . . . . ?
B16 F163 F168 F161 0(100) . . . . ?
F162 F163 F168 B16 -3(5) . . . . ?
F162 F161 F168 F163 0(100) . . . . ?
B16 F161 F168 F163 0(100) . . . . ?
F162 F161 F168 B16 -3(5) . . . . ?
F167 B16 F168 F163 174(10) . . . . ?
F162 B16 F168 F163 2(4) . . . . ?
F165 B16 F168 F163 68(7) . . . . ?
F164 B16 F168 F163 68(7) . . . . ?
F161 B16 F168 F163 0(4) . . . . ?
F166 B16 F168 F163 4(5) . . . . ?
F167 B16 F168 F161 174(10) . . . . ?
F162 B16 F168 F161 2(4) . . . . ?
F165 B16 F168 F161 68(7) . . . . ?
F164 B16 F168 F161 68(7) . . . . ?
F163 B16 F168 F161 0(4) . . . . ?
F166 B16 F168 F161 4(5) . . . . ?
C801 C800 O800 C802 -19(4) . . . . ?
C800 O800 C801 C802 -166(3) . . . . ?
C802 O800 C801 C800 166(3) . . . . ?
O800 C800 C801 C802 17(3) . . . . ?
C800 C801 C802 O800 -11(2) . . . . ?
O800 C801 C802 C803 -167(3) . . . . ?
C800 C801 C802 C803 -178(3) . . . . ?
C800 O800 C802 C801 24(5) . . . . ?
C800 O800 C802 C803 164(9) . . . . ?
C801 O800 C802 C803 140(10) . . . . ?

_refine_diff_density_max         0.607
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.066


# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 -0.002 -0.004 -0.002 39715 8505 ' '
_platon_squeeze_details          
;
;

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2195617'
loop_
_audit_author_name
_audit_author_address
'Cheng He'
;Dalian University of Technology
China
;
_audit_update_record             
;
2022-08-08 deposited with the CCDC.	2023-01-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C453.50 H351.50 B7.50 Br F30 N77.50 O62 Zn8'
_chemical_formula_weight         9132.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   27.2167(15)
_cell_length_b                   33.1187(19)
_cell_length_c                   38.817(2)
_cell_angle_alpha                88.598(2)
_cell_angle_beta                 88.3570(10)
_cell_angle_gamma                83.075(2)
_cell_volume                     34712(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    9725
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      27.44

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.874
_exptl_crystal_F_000             9387
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.389
_shelx_estimated_absorpt_T_min   0.916
_shelx_estimated_absorpt_T_max   0.926
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            499475
_diffrn_reflns_av_unetI/netI     0.1416
_diffrn_reflns_av_R_equivalents  0.1005
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         1.888
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             122093
_reflns_number_gt                46437
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2900P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         122093
_refine_ls_number_parameters     6119
_refine_ls_number_restraints     16848
_refine_ls_R_factor_all          0.2409
_refine_ls_R_factor_gt           0.1497
_refine_ls_wR_factor_ref         0.4502
_refine_ls_wR_factor_gt          0.3963
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_restrained_S_all      0.990
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.19351(2) 0.68076(2) -0.74297(2) 0.04099(13) Uani 1 1 d . . . . .
Zn2 Zn 0.84222(2) 0.54632(2) -0.75913(2) 0.06086(16) Uani 1 1 d . . . . .
Zn3 Zn 0.79046(2) 0.20940(2) -0.46808(2) 0.06260(16) Uani 1 1 d . . . . .
Zn4 Zn 0.72497(2) -0.15611(2) -0.78822(2) 0.07476(19) Uani 1 1 d . . . . .
Zn5 Zn 0.71209(3) 0.19381(2) -1.06552(2) 0.0768(2) Uani 1 1 d . . . . .
Zn6 Zn 0.21534(2) 0.28683(2) -0.41896(2) 0.07681(19) Uani 1 1 d . . . . .
Zn7 Zn 0.08437(2) -0.02591(2) -0.69021(2) 0.0782(2) Uani 1 1 d . . . . .
Zn8 Zn 0.13070(3) 0.34278(2) -1.02456(2) 0.1196(2) Uani 1 1 d . . . . .
N101 N 0.80355(15) -0.16619(14) -0.78395(11) 0.0751(12) Uani 1 1 d . U . . .
N102 N 0.73704(14) -0.12091(12) -0.74441(10) 0.0627(10) Uani 1 1 d . U . . .
N103 N 0.67237(18) -0.05308(15) -0.68168(13) 0.0931(13) Uani 1 1 d . U . . .
H10J H 0.676473 -0.044432 -0.660270 0.112 Uiso 0.3333 1 d R U P A 2
H10G H 0.643705 -0.048602 -0.692950 0.112 Uiso 0.6667 1 d R U P B 1
C101 C 0.8328(2) -0.18929(18) -0.80492(16) 0.0861(16) Uani 1 1 d . U . . .
H10A H 0.819381 -0.204076 -0.822308 0.103 Uiso 1 1 calc R U . . .
C102 C 0.8844(2) -0.1917(2) -0.80116(16) 0.0951(18) Uani 1 1 d . U . . .
H10B H 0.905527 -0.207662 -0.816855 0.114 Uiso 1 1 calc R U . . .
C103 C 0.9051(2) -0.1723(2) -0.77603(16) 0.0940(18) Uani 1 1 d . U . . .
H10C H 0.939978 -0.174579 -0.773604 0.113 Uiso 1 1 calc R U . . .
C104 C 0.87187(19) -0.14789(17) -0.75321(14) 0.0744(14) Uani 1 1 d . U . . .
H10D H 0.884265 -0.133893 -0.734879 0.089 Uiso 1 1 calc R U . . .
C105 C 0.82122(17) -0.14519(15) -0.75847(13) 0.0637(13) Uani 1 1 d . U . . .
C106 C 0.78559(17) -0.12074(14) -0.73631(12) 0.0591(12) Uani 1 1 d . U . . .
C107 C 0.79551(19) -0.09854(16) -0.70964(14) 0.0728(14) Uani 1 1 d . U . . .
H10E H 0.829240 -0.098075 -0.704184 0.087 Uiso 1 1 calc R U . . .
C108 C 0.7608(2) -0.07676(17) -0.68998(15) 0.0808(14) Uani 1 1 d . U . . .
H10F H 0.769141 -0.062190 -0.670639 0.097 Uiso 1 1 calc R U . . .
C109 C 0.71173(19) -0.07684(17) -0.69968(14) 0.0749(14) Uani 1 1 d . U . . .
C110 C 0.70309(19) -0.09914(15) -0.72649(13) 0.0699(13) Uani 1 1 d . U . . .
H11A H 0.669675 -0.099104 -0.732934 0.084 Uiso 1 1 calc R U . . .
C111 C 0.6692(4) -0.0352(3) -0.6507(3) 0.0962(18) Uani 0.6667 1 d . U P C 1
C112 C 0.6214(3) -0.0122(3) -0.64026(19) 0.0890(18) Uani 0.6667 1 d D U P C 1
C113 C 0.6087(3) -0.0099(3) -0.6054(2) 0.109(2) Uani 0.6667 1 d D U P C 1
H11B H 0.630414 -0.021936 -0.588314 0.130 Uiso 0.6667 1 calc R U P D 1
C114 C 0.5626(3) 0.0109(3) -0.5966(2) 0.102(2) Uani 0.6667 1 d D U P C 1
H11C H 0.554473 0.015202 -0.572912 0.123 Uiso 0.6667 1 calc R U P E 1
C115 C 0.5284(3) 0.0255(3) -0.6208(2) 0.102(2) Uani 0.6667 1 d D U P C 1
C116 C 0.5434(3) 0.0215(3) -0.6542(2) 0.109(2) Uani 0.6667 1 d D U P C 1
H11D H 0.522614 0.035689 -0.670864 0.131 Uiso 0.6667 1 calc R U P F 1
O101 O 0.7086(2) -0.0333(2) -0.63099(18) 0.121(2) Uani 0.6667 1 d . U P C 1
C11A C 0.6222(6) -0.0433(5) -0.6984(4) 0.097(2) Uiso 0.3333 1 d D U P C 2
O01A O 0.5947(7) -0.0696(6) -0.7096(6) 0.089(2) Uiso 0.1667 1 d D U P C 2
O1AA O 0.6129(7) -0.0410(7) -0.7330(4) 0.078(3) Uiso 0.1667 1 d D U P C 2
C12A C 0.5979(4) -0.0129(3) -0.63302(18) 0.099(2) Uiso 0.3333 1 d D U P C 2
H12A H 0.620741 -0.033087 -0.622439 0.119 Uiso 0.3333 1 calc R U P G 2
C13A C 0.5620(3) 0.0168(3) -0.6194(3) 0.105(3) Uiso 0.3333 1 d D U P C 2
H13A H 0.564998 0.017834 -0.595078 0.126 Uiso 0.3333 1 calc R U P H 2
C14A C 0.5232(4) 0.0453(3) -0.63031(19) 0.102(3) Uiso 0.3333 1 d D U P C 2
C15A C 0.5214(4) 0.0355(3) -0.66511(16) 0.068(4) Uiso 0.3333 1 d D . P C 2
H15A H 0.491072 0.047016 -0.674835 0.081 Uiso 0.3333 1 calc R U P I 2
C16A C 0.5518(3) 0.0133(4) -0.68963(19) 0.119(7) Uiso 0.3333 1 d D . P C 2
H16A H 0.548380 0.010210 -0.713678 0.143 Uiso 0.3333 1 calc R U P J 2
C117 C 0.5887(2) -0.0027(2) -0.66714(14) 0.152(4) Uani 1 1 d D . . . .
H11G H 0.596112 -0.009997 -0.690672 0.183 Uiso 0.6667 1 d R U P K 1
N104 N 0.76983(16) 0.24885(13) -0.42513(10) 0.0705(13) Uani 1 1 d . . . . .
N105 N 0.71151(14) 0.21420(11) -0.46490(10) 0.0596(11) Uani 1 1 d . . . . .
N106 N 0.60249(18) 0.17894(15) -0.50324(12) 0.0953(16) Uani 1 1 d . . . . .
H10K H 0.573911 0.172591 -0.493549 0.114 Uiso 0.5 1 d R U P L 2
H10H H 0.569621 0.184221 -0.499309 0.114 Uiso 0.5 1 d R U P M 1
C118 C 0.8040(2) 0.26546(16) -0.40661(13) 0.0806(18) Uani 1 1 d . . . . .
H11E H 0.838243 0.259057 -0.412203 0.097 Uiso 1 1 calc R U . . .
C119 C 0.7899(2) 0.29087(19) -0.38043(17) 0.102(2) Uani 1 1 d . . . . .
H11F H 0.813855 0.301937 -0.367346 0.122 Uiso 1 1 calc R U . . .
C120 C 0.7415(3) 0.30008(19) -0.37335(16) 0.108(2) Uani 1 1 d . . . . .
H12B H 0.731276 0.318947 -0.355754 0.130 Uiso 1 1 calc R U . . .
C121 C 0.7046(2) 0.28222(19) -0.39163(15) 0.094(2) Uani 1 1 d . . . . .
H12C H 0.670177 0.286988 -0.385985 0.113 Uiso 1 1 calc R U . . .
C122 C 0.7237(2) 0.25750(15) -0.41815(13) 0.0688(16) Uani 1 1 d . . . . .
C123 C 0.6876(2) 0.23859(16) -0.43959(13) 0.0743(16) Uani 1 1 d . . . . .
C124 C 0.6382(2) 0.2427(2) -0.43580(17) 0.101(2) Uani 1 1 d . . . . .
H12D H 0.623058 0.259676 -0.418126 0.121 Uiso 1 1 calc R U . . .
C125 C 0.6101(2) 0.2245(2) -0.45539(18) 0.111(2) Uani 1 1 d . . . . .
H12E H 0.575216 0.227376 -0.451735 0.133 Uiso 1 1 calc R U . . .
C126 C 0.6331(2) 0.19999(17) -0.48251(15) 0.0804(17) Uani 1 1 d . . . . .
C127 C 0.68258(19) 0.19585(16) -0.48533(13) 0.0726(16) Uani 1 1 d . . . . .
H12F H 0.698084 0.178880 -0.502868 0.087 Uiso 1 1 calc R U . . .
O102 O 0.6669(4) 0.1450(4) -0.5405(3) 0.157(4) Uiso 0.5 1 d . . P C 1
C128 C 0.6196(5) 0.1496(5) -0.5303(4) 0.115(5) Uiso 0.5 1 d . . P C 1
C129 C 0.5818(4) 0.1312(4) -0.5434(2) 0.090(4) Uiso 0.5 1 d D . P C 1
C130 C 0.5389(4) 0.1277(4) -0.5258(3) 0.114(5) Uiso 0.5 1 d D . P C 1
H13B H 0.532509 0.141669 -0.504728 0.137 Uiso 0.5 1 calc R U P N 1
C131 C 0.5025(4) 0.1035(3) -0.5380(2) 0.085(3) Uiso 0.5 1 d D . P C 1
H13C H 0.477432 0.094305 -0.523382 0.102 Uiso 0.5 1 calc R U P O 1
C132 C 0.5071(3) 0.0949(3) -0.5725(2) 0.061(3) Uiso 0.5 1 d D . P C 1
C133 C 0.5414(4) 0.1085(3) -0.5947(3) 0.095(4) Uiso 0.5 1 d D . P C 1
H13D H 0.539677 0.106410 -0.619024 0.114 Uiso 0.5 1 calc R U P P 1
C134 C 0.5799(4) 0.1260(5) -0.5788(3) 0.144(6) Uiso 0.5 1 d D . P C 1
H13E H 0.605738 0.134588 -0.593076 0.173 Uiso 0.5 1 calc R U P Q 1
O02A O 0.6551(3) 0.1664(3) -0.5494(2) 0.099(3) Uiso 0.5 1 d . . P C 2
C28A C 0.6124(4) 0.1697(4) -0.5350(3) 0.076(3) Uiso 0.5 1 d . . P C 2
C29A C 0.5724(3) 0.1463(2) -0.55220(15) 0.059(3) Uiso 0.5 1 d D . P C 2
C30A C 0.5435(3) 0.1209(2) -0.5352(2) 0.131(6) Uiso 0.5 1 d D . P C 2
H30A H 0.543202 0.119383 -0.510730 0.157 Uiso 0.5 1 calc R U P R 2
C31A C 0.5144(4) 0.0970(3) -0.55338(17) 0.147(6) Uiso 0.5 1 d D . P C 2
H31A H 0.493007 0.080187 -0.541778 0.176 Uiso 0.5 1 calc R U P S 2
C32A C 0.5183(3) 0.0990(3) -0.58936(16) 0.104(4) Uiso 0.5 1 d D . P C 2
C33A C 0.5520(3) 0.1202(3) -0.60779(19) 0.097(4) Uiso 0.5 1 d D . P C 2
H33A H 0.554748 0.120291 -0.632246 0.116 Uiso 0.5 1 calc R U P T 2
C34A C 0.5813(4) 0.1413(3) -0.58757(17) 0.153(7) Uiso 0.5 1 d D . P C 2
H34A H 0.608416 0.152789 -0.598241 0.183 Uiso 0.5 1 calc R U P U 2
N107 N 0.13866(16) 0.27909(16) -0.41154(12) 0.0932(14) Uani 1 1 d . U . . .
N108 N 0.20467(16) 0.23857(14) -0.45381(11) 0.0761(11) Uani 1 1 d . U . . .
N109 N 0.27192(19) 0.16813(16) -0.51327(14) 0.1012(13) Uani 1 1 d . U . . .
H10L H 0.265719 0.143370 -0.519746 0.121 Uiso 0.3333 1 d R U P V 2
H10I H 0.293030 0.184370 -0.522835 0.121 Uiso 0.6667 1 d R U P W 1
C135 C 0.1076(2) 0.3013(2) -0.39008(16) 0.1022(17) Uani 1 1 d . U . . .
H13F H 0.119792 0.321285 -0.376536 0.123 Uiso 1 1 calc R U . . .
C136 C 0.0587(3) 0.2958(2) -0.3873(2) 0.129(2) Uani 1 1 d . U . . .
H13G H 0.036304 0.313864 -0.374131 0.155 Uiso 1 1 calc R U . . .
C137 C 0.0419(3) 0.2637(2) -0.40383(18) 0.1133(19) Uani 1 1 d . U . . .
H13H H 0.008068 0.259221 -0.402042 0.136 Uiso 1 1 calc R U . . .
C138 C 0.0766(2) 0.2379(2) -0.42349(18) 0.1116(18) Uani 1 1 d . U . . .
H13I H 0.067080 0.213965 -0.433101 0.134 Uiso 1 1 calc R U . . .
C139 C 0.1246(2) 0.2474(2) -0.42872(16) 0.0955(16) Uani 1 1 d . U . . .
C140 C 0.1609(2) 0.22484(18) -0.44978(15) 0.0859(14) Uani 1 1 d . U . . .
C141 C 0.1544(2) 0.1915(2) -0.46707(17) 0.1022(16) Uani 1 1 d . U . . .
H14A H 0.123275 0.181528 -0.463966 0.123 Uiso 1 1 calc R U . . .
C142 C 0.1874(2) 0.1708(2) -0.48828(17) 0.1032(15) Uani 1 1 d . U . . .
H14B H 0.179977 0.147635 -0.500166 0.124 Uiso 1 1 calc R U . . .
C143 C 0.2342(2) 0.1857(2) -0.49193(16) 0.0941(15) Uani 1 1 d . U . . .
C144 C 0.2402(2) 0.22042(18) -0.47502(15) 0.0836(14) Uani 1 1 d . U . . .
H14C H 0.270268 0.232074 -0.478323 0.100 Uiso 1 1 calc R U . . .
C146 C 0.3308(3) 0.1144(2) -0.54245(19) 0.1166(16) Uani 1 1 d . U . . .
H14F H 0.302903 0.111126 -0.527433 0.140 Uiso 0.3333 1 d R U P X 2
C151 C 0.3494(3) 0.1466(2) -0.55440(19) 0.1147(16) Uani 1 1 d . U . . .
H15I H 0.336920 0.174568 -0.550858 0.138 Uiso 0.6667 1 d R U P Y 1
C145 C 0.2818(5) 0.1282(4) -0.5209(4) 0.1050(19) Uiso 0.5 1 d . U P Z 1
O103 O 0.2407(6) 0.1031(6) -0.5267(5) 0.106(2) Uiso 0.25 1 d . U P Z 1
O03' O 0.2580(6) 0.0991(5) -0.5029(5) 0.105(2) Uiso 0.25 1 d . U P Z 1
C147 C 0.3434(4) 0.0746(3) -0.5389(3) 0.114(2) Uani 0.6667 1 d . U P C 1
H14D H 0.326029 0.056223 -0.525467 0.137 Uiso 0.6667 1 calc R U P A 1
C148 C 0.3873(4) 0.0644(3) -0.5588(3) 0.111(2) Uani 0.6667 1 d . U P C 1
H14E H 0.400344 0.036477 -0.559161 0.133 Uiso 0.6667 1 calc R U P B 1
C149 C 0.4119(4) 0.0897(3) -0.5770(3) 0.102(2) Uani 0.6667 1 d . U P C 1
C150 C 0.3993(4) 0.1290(3) -0.5787(3) 0.110(2) Uani 0.6667 1 d . U P C 1
H15B H 0.417026 0.146504 -0.592811 0.132 Uiso 0.6667 1 calc R U P C 1
C45A C 0.3195(5) 0.1771(4) -0.5270(4) 0.109(2) Uiso 0.5 1 d . U P Z 2
O03A O 0.3226(6) 0.2281(5) -0.5273(4) 0.101(2) Uiso 0.25 1 d . U P Z 2
O3AA O 0.3396(6) 0.2171(6) -0.5123(5) 0.104(2) Uiso 0.25 1 d . U P Z 2
C47A C 0.3711(8) 0.0817(7) -0.5630(6) 0.109(3) Uiso 0.3333 1 d . U P C 2
H47A H 0.369046 0.053407 -0.559989 0.131 Uiso 0.3333 1 calc R U P D 2
C48A C 0.4118(8) 0.0958(7) -0.5870(6) 0.105(3) Uiso 0.3333 1 d . U P C 2
C49A C 0.4085(8) 0.1387(7) -0.5964(6) 0.109(3) Uiso 0.3333 1 d . U P C 2
H49A H 0.428698 0.148679 -0.614298 0.130 Uiso 0.3333 1 calc R U P E 2
C50A C 0.3709(7) 0.1664(7) -0.5761(5) 0.109(3) Uiso 0.3333 1 d . U P C 2
H50A H 0.364609 0.195073 -0.579551 0.130 Uiso 0.3333 1 calc R U P F 2
C10H C 0.4429(5) 0.0689(4) -0.6097(3) 0.095(4) Uiso 0.5 1 d . . P C 2
C11H C 0.4940(6) 0.0691(5) -0.6100(4) 0.122(5) Uiso 0.5 1 d . . P C 2
C10G C 0.4736(4) 0.0459(4) -0.6088(3) 0.076(3) Uiso 0.5 1 d . . P C 1
C11G C 0.4661(3) 0.0733(3) -0.5886(3) 0.060(3) Uiso 0.5 1 d . . P C 1
O104 O 0.35083(17) -0.08101(16) -0.67874(16) 0.148(2) Uani 1 1 d . . . . .
N110 N 0.08162(16) -0.08058(13) -0.71709(12) 0.0823(14) Uani 1 1 d . . . . .
N111 N 0.16011(14) -0.05161(12) -0.69472(10) 0.0642(12) Uani 1 1 d . . . . .
N112 N 0.28530(15) -0.03453(14) -0.67268(11) 0.0730(13) Uani 1 1 d . . . . .
H11H H 0.275910 -0.010000 -0.664885 0.088 Uiso 1 1 calc R U . . .
C152 C 0.0399(2) -0.0953(2) -0.72808(19) 0.112(2) Uani 1 1 d . . . . .
H15C H 0.008368 -0.081084 -0.722588 0.134 Uiso 1 1 calc R U . . .
C153 C 0.0427(3) -0.1308(2) -0.7471(2) 0.121(3) Uani 1 1 d . . . . .
H15D H 0.012890 -0.139410 -0.754724 0.145 Uiso 1 1 calc R U . . .
C154 C 0.0838(2) -0.1521(2) -0.75479(18) 0.106(2) Uani 1 1 d . . . . .
H15E H 0.084875 -0.176036 -0.767937 0.127 Uiso 1 1 calc R U . . .
C155 C 0.1277(2) -0.13864(17) -0.74290(14) 0.0811(18) Uani 1 1 d . . . . .
H15F H 0.158973 -0.153809 -0.747591 0.097 Uiso 1 1 calc R U . . .
C156 C 0.12468(17) -0.10419(15) -0.72489(13) 0.0636(14) Uani 1 1 d . . . . .
C157 C 0.16747(18) -0.08749(15) -0.71135(13) 0.0640(15) Uani 1 1 d . . . . .
C158 C 0.21625(18) -0.10696(15) -0.71518(13) 0.0678(15) Uani 1 1 d . . . . .
H15G H 0.221606 -0.132183 -0.726661 0.081 Uiso 1 1 calc R U . . .
C159 C 0.2553(2) -0.09117(15) -0.70321(12) 0.0654(15) Uani 1 1 d . . . . .
H15H H 0.287854 -0.104840 -0.705956 0.078 Uiso 1 1 calc R U . . .
C160 C 0.24665(17) -0.05412(15) -0.68662(12) 0.0608(14) Uani 1 1 d . . . . .
C161 C 0.19959(18) -0.03475(15) -0.68324(12) 0.0610(14) Uani 1 1 d . . . . .
H16B H 0.194332 -0.008976 -0.672648 0.073 Uiso 1 1 calc R U . . .
C162 C 0.3313(3) -0.04680(19) -0.66967(17) 0.097(2) Uani 1 1 d . . . . .
C163 C 0.3641(2) -0.01919(19) -0.65374(15) 0.0866(19) Uani 1 1 d . . . . .
C164 C 0.4048(3) -0.0365(3) -0.6370(2) 0.150(3) Uani 1 1 d . . . . .
H16C H 0.412122 -0.065297 -0.636842 0.180 Uiso 1 1 calc R U . . .
C165 C 0.4358(3) -0.0140(3) -0.6203(2) 0.151(3) Uani 1 1 d . . . . .
H16D H 0.460526 -0.026449 -0.605295 0.181 Uiso 1 1 calc R U . . .
C166 C 0.4290(3) 0.0296(2) -0.62660(19) 0.132(3) Uani 1 1 d . . . . .
C167 C 0.3895(3) 0.0463(2) -0.64389(17) 0.119(2) Uani 1 1 d . . . . .
H16E H 0.384726 0.075038 -0.646990 0.143 Uiso 1 1 calc R U . . .
C168 C 0.3530(3) 0.0223(2) -0.65838(16) 0.110(2) Uani 1 1 d . . . . .
H16F H 0.324401 0.034344 -0.669893 0.132 Uiso 1 1 calc R U . . .
N201 N 0.80065(14) 0.15450(12) -0.43776(9) 0.0583(11) Uani 1 1 d . . . . .
N202 N 0.79652(14) 0.16232(11) -0.50556(9) 0.0552(11) Uani 1 1 d . . . . .
N203 N 0.7997(2) 0.14666(15) -0.59859(11) 0.0979(18) Uani 1 1 d . . . . .
H20G H 0.783202 0.170355 -0.604085 0.117 Uiso 1 1 calc R U . . .
C201 C 0.80184(19) 0.15179(17) -0.40288(12) 0.0719(16) Uani 1 1 d . . . . .
H20A H 0.799874 0.176040 -0.390079 0.086 Uiso 1 1 calc R U . . .
C202 C 0.8059(2) 0.11373(16) -0.38500(13) 0.0743(17) Uani 1 1 d . . . . .
H20B H 0.807809 0.112488 -0.360591 0.089 Uiso 1 1 calc R U . . .
C203 C 0.8071(2) 0.08028(17) -0.40254(13) 0.0800(18) Uani 1 1 d . . . . .
H20C H 0.807002 0.054875 -0.390660 0.096 Uiso 1 1 calc R U . . .
C204 C 0.8086(2) 0.08167(17) -0.43817(14) 0.0880(19) Uani 1 1 d . . . . .
H20D H 0.812157 0.057288 -0.450867 0.106 Uiso 1 1 calc R U . . .
C205 C 0.80487(19) 0.11853(17) -0.45474(12) 0.0685(16) Uani 1 1 d . . . . .
C206 C 0.8060(2) 0.12516(17) -0.49403(13) 0.0757(17) Uani 1 1 d . . . . .
C207 C 0.8133(3) 0.0914(2) -0.51482(15) 0.113(3) Uani 1 1 d . . . . .
H20E H 0.820439 0.064965 -0.504729 0.135 Uiso 1 1 calc R U . . .
C208 C 0.8102(3) 0.0960(2) -0.55001(16) 0.124(3) Uani 1 1 d . . . . .
H20F H 0.813012 0.073464 -0.564886 0.149 Uiso 1 1 calc R U . . .
C209 C 0.8024(3) 0.1368(2) -0.56259(14) 0.100(2) Uani 1 1 d . . . . .
C210 C 0.7949(2) 0.16883(17) -0.53993(12) 0.0768(17) Uani 1 1 d . . . . .
H21A H 0.788474 0.195876 -0.548814 0.092 Uiso 1 1 calc R U . . .
O201 O 0.8376(3) 0.0884(2) -0.61951(14) 0.145(3) Uani 0.75 1 d . . P . .
O01B O 0.8150(11) 0.0730(10) -0.6336(8) 0.197(12) Uiso 0.25 1 d . . P . .
C211 C 0.8192(3) 0.1241(3) -0.6250(2) 0.139(3) Uani 1 1 d . . . . .
C212 C 0.8419(3) 0.1275(3) -0.6845(3) 0.158(4) Uani 1 1 d . . . . .
H21B H 0.869900 0.108826 -0.678766 0.190 Uiso 1 1 calc R U . . .
C213 C 0.8351(3) 0.1389(3) -0.71705(18) 0.154(4) Uani 1 1 d . . . . .
H21C H 0.857299 0.126156 -0.733957 0.184 Uiso 1 1 calc R U . . .
C214 C 0.7997(3) 0.1665(2) -0.72767(15) 0.111(2) Uani 1 1 d . . . . .
C215 C 0.7620(3) 0.1852(3) -0.70283(18) 0.136(3) Uani 1 1 d . . . . .
H21D H 0.735298 0.205083 -0.708728 0.163 Uiso 1 1 calc R U . . .
C216 C 0.7714(3) 0.1691(2) -0.66812(18) 0.118(3) Uani 1 1 d . . . . .
H21E H 0.748821 0.178185 -0.650032 0.141 Uiso 1 1 calc R U . . .
C217 C 0.8112(2) 0.14151(19) -0.66036(14) 0.089(2) Uani 1 1 d . . . . .
N204 N 0.87086(16) 0.56966(13) -0.71397(10) 0.0739(11) Uani 1 1 d . U . . .
N205 N 0.84422(15) 0.49511(12) -0.72281(10) 0.0651(10) Uani 1 1 d . U . . .
N206 N 0.82882(17) 0.38810(13) -0.71780(11) 0.0798(11) Uani 1 1 d . U . . .
H20H H 0.810056 0.388034 -0.735881 0.096 Uiso 1 1 calc R U . . .
C218 C 0.8845(2) 0.60692(17) -0.71121(14) 0.0851(15) Uani 1 1 d . U . . .
H21F H 0.878457 0.626068 -0.729672 0.102 Uiso 1 1 calc R U . . .
C219 C 0.9071(2) 0.61817(19) -0.68220(15) 0.0942(16) Uani 1 1 d . U . . .
H21G H 0.914646 0.645356 -0.680869 0.113 Uiso 1 1 calc R U . . .
C220 C 0.9193(3) 0.59151(19) -0.65502(17) 0.1044(16) Uani 1 1 d . U . . .
H22A H 0.938400 0.598268 -0.636344 0.125 Uiso 1 1 calc R U . . .
C221 C 0.9006(2) 0.55192(18) -0.65716(15) 0.0900(15) Uani 1 1 d . U . . .
H22B H 0.902616 0.533315 -0.638094 0.108 Uiso 1 1 calc R U . . .
C222 C 0.8799(2) 0.54238(17) -0.68753(14) 0.0834(14) Uani 1 1 d . U . . .
C223 C 0.8651(2) 0.50097(17) -0.69208(13) 0.0787(13) Uani 1 1 d . U . . .
C224 C 0.8717(2) 0.47111(19) -0.66940(16) 0.0979(15) Uani 1 1 d . U . . .
H22C H 0.886099 0.475895 -0.648091 0.117 Uiso 1 1 calc R U . . .
O202 O 0.8696(3) 0.3460(2) -0.67723(18) 0.116(2) Uani 0.6667 1 d . U P G 1
O02B O 0.8430(5) 0.3488(5) -0.6661(4) 0.112(3) Uiso 0.3333 1 d . U P G 2
C225 C 0.8588(2) 0.43327(19) -0.67514(15) 0.0954(14) Uani 1 1 d . U . . .
H22D H 0.862582 0.412479 -0.657790 0.115 Uiso 1 1 calc R U . . .
C226 C 0.8399(2) 0.42598(17) -0.70699(14) 0.0786(13) Uani 1 1 d . U . . .
C227 C 0.8333(2) 0.45853(15) -0.72941(13) 0.0736(12) Uani 1 1 d . U . . .
H22E H 0.819913 0.454447 -0.751215 0.088 Uiso 1 1 calc R U . . .
C228 C 0.8443(3) 0.3520(2) -0.70305(17) 0.1048(16) Uani 1 1 d . U . . .
C229 C 0.8272(3) 0.3163(2) -0.72366(16) 0.1011(16) Uani 1 1 d . U . . .
C230 C 0.8555(3) 0.2809(2) -0.71918(18) 0.1183(18) Uani 1 1 d . U . . .
H23A H 0.882131 0.278898 -0.703725 0.142 Uiso 1 1 calc R U . . .
C231 C 0.8461(3) 0.2467(2) -0.73702(17) 0.1098(18) Uani 1 1 d . U . . .
H23B H 0.867937 0.222238 -0.734446 0.132 Uiso 1 1 calc R U . . .
C232 C 0.8085(2) 0.24716(17) -0.75716(14) 0.0850(16) Uani 1 1 d . U . . .
C233 C 0.7770(3) 0.2823(2) -0.76244(17) 0.1114(18) Uani 1 1 d . U . . .
H23C H 0.750270 0.283643 -0.777784 0.134 Uiso 1 1 calc R U . . .
C234 C 0.7879(3) 0.3197(2) -0.74181(16) 0.1009(16) Uani 1 1 d . U . . .
H23D H 0.766174 0.344393 -0.742543 0.121 Uiso 1 1 calc R U . . .
C20G C 0.7972(3) 0.2135(2) -0.77970(15) 0.109(2) Uani 1 1 d D . . . .
C21G C 0.7924(3) 0.1794(2) -0.76692(17) 0.112(3) Uani 1 1 d . . . . .
N207 N 0.72563(15) 0.24340(13) -1.10085(9) 0.0651(11) Uani 1 1 d . U . . .
C235 C 0.71353(19) 0.24650(17) -1.13410(12) 0.0724(15) Uani 1 1 d . U . . .
H23E H 0.704206 0.223178 -1.144800 0.087 Uiso 1 1 calc R U . . .
C236 C 0.7139(2) 0.28104(17) -1.15314(13) 0.0772(16) Uani 1 1 d . U . . .
H23F H 0.704106 0.281919 -1.176464 0.093 Uiso 1 1 calc R U . . .
C237 C 0.7286(2) 0.31513(18) -1.13863(13) 0.0780(16) Uani 1 1 d . U . . .
H23G H 0.730472 0.339449 -1.151843 0.094 Uiso 1 1 calc R U . . .
C238 C 0.74095(19) 0.31259(16) -1.10311(13) 0.0700(14) Uani 1 1 d . U . . .
H23H H 0.749842 0.335609 -1.091722 0.084 Uiso 1 1 calc R U . . .
C239 C 0.73964(18) 0.27581(15) -1.08565(11) 0.0603(12) Uani 1 1 d . U . . .
N208 N 0.7422(2) 0.2349(2) -1.03308(15) 0.0602(15) Uani 0.6667 1 d . U P H 1
N209 N 0.7844(2) 0.2445(2) -0.94570(17) 0.0814(16) Uani 0.6667 1 d . U P I 1
H20I H 0.779624 0.219395 -0.939763 0.098 Uiso 0.6667 1 calc R U P J 1
C240 C 0.7544(3) 0.2698(2) -1.04923(19) 0.0584(16) Uani 0.6667 1 d . U P H 1
C241 C 0.7800(3) 0.2968(2) -1.03101(19) 0.0635(17) Uani 0.6667 1 d . U P H 1
H24A H 0.790095 0.320164 -1.042547 0.076 Uiso 0.6667 1 calc R U P K 1
C242 C 0.7907(3) 0.2897(2) -0.99678(19) 0.0650(17) Uani 0.6667 1 d . U P H 1
H24B H 0.810924 0.305774 -0.984795 0.078 Uiso 0.6667 1 calc R U P L 1
C244 C 0.7527(3) 0.2277(2) -0.99956(19) 0.0611(17) Uani 0.6667 1 d . U P H 1
H24C H 0.748212 0.202156 -0.989133 0.073 Uiso 0.6667 1 calc R U P M 1
O203 O 0.8125(5) 0.3052(4) -0.9265(3) 0.107(3) Uiso 0.3333 1 d . U P I 1
O23' O 0.8349(5) 0.2893(4) -0.9313(3) 0.106(3) Uiso 0.3333 1 d . U P I 1
O03B O 0.7313(8) 0.1788(7) -0.9338(6) 0.089(4) Uiso 0.1667 1 d . U P I 2
O3BB O 0.7146(8) 0.2102(7) -0.9331(5) 0.077(4) Uiso 0.1667 1 d . U P I 2
N09B N 0.7658(5) 0.2540(4) -0.9444(4) 0.079(2) Uiso 0.3333 1 d . U P I 2
H09A H 0.778849 0.272082 -0.932443 0.095 Uiso 0.3333 1 calc R U P N 2
N08B N 0.7321(5) 0.2413(4) -1.0318(3) 0.061(2) Uiso 0.3333 1 d . U P H 2
C40B C 0.7447(6) 0.2727(5) -1.0482(4) 0.063(2) Uiso 0.3333 1 d . U P H 2
C41B C 0.7581(5) 0.3031(5) -1.0290(4) 0.066(2) Uiso 0.3333 1 d . U P H 2
H41A H 0.758608 0.329296 -1.039401 0.079 Uiso 0.3333 1 calc R U P O 2
C42B C 0.7703(6) 0.2975(5) -0.9969(4) 0.068(2) Uiso 0.3333 1 d . U P H 2
H42A H 0.779473 0.319379 -0.984084 0.082 Uiso 0.3333 1 calc R U P P 2
C44B C 0.7365(6) 0.2365(5) -0.9999(4) 0.067(2) Uiso 0.3333 1 d . U P H 2
H44A H 0.716983 0.218455 -0.987986 0.080 Uiso 0.3333 1 calc R U P Q 2
C243 C 0.7696(2) 0.25695(18) -0.98062(13) 0.0793(14) Uani 1 1 d . U . . .
C246 C 0.79902(18) 0.2450(2) -0.88207(12) 0.1130(17) Uani 1 1 d D U . . .
H24F H 0.812930 0.261372 -0.899669 0.136 Uiso 0.3333 1 d R U P R 2
C245 C 0.8031(4) 0.2640(3) -0.9224(2) 0.105(2) Uani 0.6667 1 d D U P I 1
C247 C 0.8422(4) 0.2509(4) -0.8671(3) 0.128(2) Uani 0.6667 1 d . U P I 1
H24D H 0.869383 0.261587 -0.878420 0.153 Uiso 0.6667 1 calc R U P S 1
C248 C 0.8401(4) 0.2379(4) -0.8294(3) 0.123(3) Uani 0.6667 1 d . U P I 1
H24E H 0.865771 0.242931 -0.814586 0.147 Uiso 0.6667 1 calc R U P T 1
C249 C 0.7973(4) 0.2168(4) -0.8153(3) 0.118(2) Uani 0.6667 1 d . U P I 1
C250 C 0.7590(4) 0.2136(4) -0.8351(3) 0.126(2) Uani 0.6667 1 d . U P I 1
H25A H 0.730948 0.201359 -0.827059 0.152 Uiso 0.6667 1 calc R U P U 1
C251 C 0.7632(4) 0.2316(3) -0.8730(3) 0.114(2) Uani 0.6667 1 d . U P I 1
H25B H 0.736582 0.231545 -0.888326 0.137 Uiso 0.6667 1 calc R U P V 1
C45B C 0.7440(7) 0.2259(6) -0.9270(3) 0.104(3) Uiso 0.3333 1 d D U P I 2
C47B C 0.8178(2) 0.2331(5) -0.84906(16) 0.127(3) Uiso 0.3333 1 d D U P I 2
H47B H 0.852577 0.230354 -0.845898 0.153 Uiso 0.3333 1 calc R U P W 2
C48B C 0.7862(2) 0.2252(5) -0.82091(16) 0.119(3) Uiso 0.3333 1 d D U P I 2
C49B C 0.7359(2) 0.2252(5) -0.82810(16) 0.125(3) Uiso 0.3333 1 d D U P I 2
H49B H 0.711188 0.229246 -0.810316 0.150 Uiso 0.3333 1 calc R U P X 2
C50B C 0.7229(3) 0.2190(4) -0.86217(16) 0.119(3) Uiso 0.3333 1 d D U P I 2
H50B H 0.697737 0.202919 -0.867831 0.142 Uiso 0.3333 1 calc R U P Y 2
C51B C 0.7504(2) 0.2385(4) -0.88698(17) 0.115(3) Uiso 0.3333 1 d D U P I 2
N211 N 0.7251(2) -0.10293(18) -0.82261(16) 0.0733(14) Uani 0.6667 1 d D U P Z 1
N210 N 0.7135(2) -0.18095(19) -0.83387(16) 0.0805(15) Uani 0.6667 1 d D U P Z 1
C252 C 0.7067(3) -0.2200(2) -0.84068(19) 0.0799(17) Uani 0.6667 1 d D U P Z 1
H25C H 0.709152 -0.239954 -0.822635 0.096 Uiso 0.6667 1 calc R U P A 1
C253 C 0.6963(3) -0.2307(3) -0.87310(19) 0.0914(19) Uani 0.6667 1 d D U P Z 1
H25D H 0.686728 -0.257021 -0.876090 0.110 Uiso 0.6667 1 calc R U P B 1
C254 C 0.6988(3) -0.2052(2) -0.9024(2) 0.0875(17) Uani 0.6667 1 d D U P Z 1
H25E H 0.695782 -0.214395 -0.925128 0.105 Uiso 0.6667 1 calc R U P C 1
C255 C 0.7060(3) -0.1655(2) -0.8955(2) 0.0893(16) Uani 0.6667 1 d D U P Z 1
H25F H 0.706066 -0.146192 -0.914043 0.107 Uiso 0.6667 1 calc R U P D 1
C256 C 0.7132(3) -0.1532(2) -0.86200(18) 0.0784(15) Uani 0.6667 1 d D U P Z 1
C257 C 0.7243(3) -0.1118(2) -0.85657(19) 0.0843(16) Uani 0.6667 1 d D U P Z 1
C258 C 0.7269(3) -0.0818(2) -0.8807(2) 0.0882(16) Uani 0.6667 1 d D U P Z 1
H25G H 0.725415 -0.088111 -0.904391 0.106 Uiso 0.6667 1 calc R U P E 1
C259 C 0.7315(3) -0.0418(2) -0.8718(2) 0.0895(17) Uani 0.6667 1 d D U P Z 1
H25H H 0.728539 -0.020150 -0.888361 0.107 Uiso 0.6667 1 calc R U P F 1
O204 O 0.7720(3) 0.0352(3) -0.8755(2) 0.145(3) Uani 0.6667 1 d . U P G 1
N10B N 0.7308(5) -0.1805(3) -0.8417(3) 0.083(2) Uiso 0.3333 1 d D U P Z 2
N11B N 0.7341(5) -0.1044(3) -0.8252(3) 0.0859(19) Uiso 0.3333 1 d D U P Z 2
C52B C 0.7360(6) -0.2225(3) -0.8478(3) 0.086(2) Uiso 0.3333 1 d D U P Z 2
H52A H 0.731601 -0.240925 -0.829140 0.103 Uiso 0.3333 1 calc R U P H 2
C53B C 0.7473(6) -0.2374(4) -0.8800(3) 0.098(3) Uiso 0.3333 1 d D U P Z 2
H53A H 0.753995 -0.265945 -0.883056 0.118 Uiso 0.3333 1 calc R U P I 2
C54B C 0.7491(6) -0.2112(3) -0.9081(3) 0.092(2) Uiso 0.3333 1 d D U P Z 2
H54A H 0.744216 -0.220222 -0.930654 0.110 Uiso 0.3333 1 calc R U P J 2
C55B C 0.7582(6) -0.1710(3) -0.9027(3) 0.091(2) Uiso 0.3333 1 d D U P Z 2
H55A H 0.770385 -0.154690 -0.920685 0.109 Uiso 0.3333 1 calc R U P K 2
C56B C 0.7483(6) -0.1561(4) -0.8690(3) 0.087(2) Uiso 0.3333 1 d D U P Z 2
C57B C 0.7476(6) -0.1154(4) -0.8585(3) 0.090(2) Uiso 0.3333 1 d D U P Z 2
C59B C 0.7609(6) -0.0467(4) -0.8707(3) 0.096(2) Uiso 0.3333 1 d D U P Z 2
H59A H 0.778974 -0.029161 -0.884433 0.115 Uiso 0.3333 1 calc R U P L 2
C58B C 0.7527(6) -0.0855(3) -0.8815(3) 0.092(2) Uiso 0.3333 1 d D U P Z 2
H58A H 0.750776 -0.090488 -0.905440 0.110 Uiso 0.3333 1 calc R U P M 2
O04B O 0.8106(6) 0.0179(5) -0.8650(4) 0.144(4) Uiso 0.3333 1 d . U P G 2
N212 N 0.74816(18) 0.00369(14) -0.82626(13) 0.0945(13) Uani 1 1 d . U . . .
H21H H 0.739436 0.007832 -0.804512 0.113 Uiso 1 1 calc R U . . .
C260 C 0.7405(2) -0.03546(17) -0.83798(14) 0.0914(15) Uani 1 1 d D U . . .
C261 C 0.7335(2) -0.06503(15) -0.81382(14) 0.0821(14) Uani 1 1 d D U . . .
H26A H 0.734495 -0.058845 -0.790102 0.098 Uiso 1 1 calc R U . N 1
C262 C 0.7655(3) 0.0343(2) -0.84158(19) 0.1212(17) Uani 1 1 d . U . . .
C263 C 0.7721(3) 0.0717(2) -0.82119(19) 0.1169(18) Uani 1 1 d . U . . .
C264 C 0.8134(3) 0.0915(2) -0.8294(2) 0.141(2) Uani 1 1 d . U . . .
H26B H 0.837455 0.081351 -0.846230 0.170 Uiso 1 1 calc R U . . .
C265 C 0.8175(3) 0.1262(2) -0.8121(2) 0.131(2) Uani 1 1 d . U . . .
H26C H 0.844724 0.140822 -0.817805 0.158 Uiso 1 1 calc R U . . .
C266 C 0.7843(3) 0.14112(19) -0.78669(16) 0.0995(18) Uani 1 1 d . U . . .
C267 C 0.7465(3) 0.1196(2) -0.77817(19) 0.121(2) Uani 1 1 d . U . . .
H26D H 0.723572 0.128989 -0.760349 0.145 Uiso 1 1 calc R U . . .
C268 C 0.7402(3) 0.0835(2) -0.79521(19) 0.122(2) Uani 1 1 d . U . . .
H26E H 0.714276 0.067936 -0.788509 0.146 Uiso 1 1 calc R U . . .
N301 N 0.06205(18) 0.38076(17) -1.02147(13) 0.1133(15) Uani 1 1 d . U . . .
N302 N 0.14454(16) 0.38980(14) -0.99070(11) 0.0821(12) Uani 1 1 d . U . . .
N303 N 0.24352(15) 0.43004(14) -0.94560(11) 0.0806(13) Uani 1 1 d . U . . .
H30K H 0.265428 0.407520 -0.947429 0.097 Uiso 0.4 1 d R U P O 2
H30J H 0.248649 0.456171 -0.943302 0.097 Uiso 0.6 1 d R U P P 1
C301 C 0.0170(2) 0.3747(2) -1.03601(19) 0.127(2) Uani 1 1 d . U . . .
H30B H 0.015983 0.352188 -1.050520 0.153 Uiso 1 1 calc R U . . .
C302 C -0.0222(3) 0.3983(2) -1.0304(2) 0.135(2) Uani 1 1 d . U . . .
H30C H -0.050809 0.392371 -1.041845 0.162 Uiso 1 1 calc R U . . .
C303 C -0.0278(3) 0.4297(2) -1.01086(18) 0.123(2) Uani 1 1 d . U . . .
H30D H -0.058493 0.445805 -1.006350 0.148 Uiso 1 1 calc R U . . .
C304 C 0.0172(2) 0.4367(2) -0.99727(17) 0.117(2) Uani 1 1 d . U . . .
H30E H 0.017846 0.460229 -0.983805 0.140 Uiso 1 1 calc R U . . .
C305 C 0.0589(2) 0.4125(2) -1.00211(16) 0.1053(17) Uani 1 1 d . U . . .
C306 C 0.1073(2) 0.41802(19) -0.98744(14) 0.0872(16) Uani 1 1 d . U . . .
C307 C 0.1133(2) 0.4531(2) -0.96875(16) 0.0986(18) Uani 1 1 d . U . . .
H30F H 0.085806 0.473430 -0.965904 0.118 Uiso 1 1 calc R U . . .
C308 C 0.1566(2) 0.45872(19) -0.95488(16) 0.0888(17) Uani 1 1 d . U . . .
H30G H 0.160504 0.482886 -0.943099 0.107 Uiso 1 1 calc R U . . .
C309 C 0.1965(2) 0.42658(18) -0.95866(14) 0.0804(15) Uani 1 1 d . U . . .
C310 C 0.1890(2) 0.39364(17) -0.97743(13) 0.0772(15) Uani 1 1 d . U . . .
H31B H 0.215696 0.372865 -0.981234 0.093 Uiso 1 1 calc R U . . .
C312 C 0.33270(18) 0.41836(16) -0.91841(16) 0.1016(17) Uani 1 1 d D U . . .
H31H H 0.309772 0.398503 -0.918647 0.122 Uiso 0.4 1 d R U P Q 2
C313 C 0.3263(2) 0.45778(14) -0.92849(16) 0.0993(17) Uani 1 1 d D U . . .
H31J H 0.299736 0.474323 -0.939687 0.119 Uiso 0.6 1 d R U P R 1
C311 C 0.2773(4) 0.4072(4) -0.9364(3) 0.105(3) Uani 0.6 1 d D U P S 1
O301 O 0.2779(3) 0.3614(3) -0.9406(2) 0.126(3) Uani 0.5 1 d . U P S 1
C314 C 0.3792(4) 0.4716(4) -0.9126(3) 0.106(2) Uani 0.6 1 d . U P S 1
H31C H 0.385237 0.499203 -0.911854 0.127 Uiso 0.6 1 calc R U P T 1
C315 C 0.4115(3) 0.4414(3) -0.9013(3) 0.086(2) Uani 0.6 1 d . U P S 1
C316 C 0.3999(3) 0.4037(3) -0.8964(3) 0.084(2) Uani 0.6 1 d . U P S 1
H31D H 0.423857 0.384270 -0.886057 0.101 Uiso 0.6 1 calc R U P U 1
C317 C 0.3553(4) 0.3908(4) -0.9052(3) 0.100(2) Uani 0.6 1 d . U P S 1
H31E H 0.345416 0.364533 -0.901196 0.120 Uiso 0.6 1 calc R U P V 1
C11C C 0.2630(5) 0.4622(4) -0.9323(4) 0.100(3) Uiso 0.4 1 d D U P S 2
O01C O 0.2292(6) 0.4942(5) -0.9132(4) 0.108(4) Uiso 0.25 1 d D U P S 2
O1CC O 0.2483(6) 0.4928(5) -0.9498(4) 0.103(3) Uiso 0.25 1 d D U P S 2
C14C C 0.3476(3) 0.4926(2) -0.9347(3) 0.098(3) Uiso 0.4 1 d D U P S 2
H14G H 0.334271 0.518331 -0.943898 0.118 Uiso 0.4 1 calc R U P W 2
C15C C 0.3951(3) 0.4789(2) -0.9235(3) 0.093(3) Uiso 0.4 1 d D U P S 2
H15J H 0.416950 0.498821 -0.927790 0.112 Uiso 0.4 1 calc R U P X 2
C16C C 0.4195(3) 0.4438(2) -0.9077(3) 0.088(3) Uiso 0.4 1 d D U P S 2
C17C C 0.3828(2) 0.4177(3) -0.9083(3) 0.101(3) Uiso 0.4 1 d D U P S 2
H17A H 0.394830 0.391594 -0.899099 0.121 Uiso 0.4 1 calc R U P Y 2
N304 N 0.21758(13) 0.73152(10) -0.71675(9) 0.0494(10) Uani 1 1 d . . . . .
N305 N 0.27300(11) 0.67291(10) -0.75083(8) 0.0425(9) Uani 1 1 d . . . . .
N306 N 0.37046(13) 0.60929(13) -0.79665(11) 0.0708(13) Uani 1 1 d . . . . .
H30H H 0.351002 0.590703 -0.800845 0.085 Uiso 1 1 calc R U . . .
O302 O 0.44779(17) 0.62691(15) -0.80437(15) 0.1339(19) Uani 1 1 d . . . . .
C318 C 0.18741(18) 0.75949(14) -0.69957(11) 0.0559(13) Uani 1 1 d . . . . .
H31F H 0.152773 0.757969 -0.699509 0.067 Uiso 1 1 calc R U . . .
C319 C 0.20458(18) 0.79052(16) -0.68189(12) 0.0653(15) Uani 1 1 d . . . . .
H31G H 0.182717 0.810375 -0.670054 0.078 Uiso 1 1 calc R U . . .
C320 C 0.2560(2) 0.79104(16) -0.68242(13) 0.0787(17) Uani 1 1 d . . . . .
H32A H 0.269628 0.811515 -0.670351 0.094 Uiso 1 1 calc R U . . .
C321 C 0.28686(19) 0.76268(15) -0.69995(12) 0.0646(15) Uani 1 1 d . . . . .
H32B H 0.321718 0.763042 -0.700089 0.078 Uiso 1 1 calc R U . . .
C322 C 0.26609(16) 0.73331(13) -0.71755(11) 0.0511(12) Uani 1 1 d . . . . .
C323 C 0.29590(15) 0.70148(13) -0.73787(11) 0.0495(12) Uani 1 1 d . . . . .
C324 C 0.34568(19) 0.70164(16) -0.74472(13) 0.0745(16) Uani 1 1 d . . . . .
H32C H 0.362031 0.722628 -0.735581 0.089 Uiso 1 1 calc R U . . .
C325 C 0.37224(18) 0.67274(16) -0.76414(13) 0.0704(16) Uani 1 1 d . . . . .
H32D H 0.406555 0.673494 -0.768910 0.084 Uiso 1 1 calc R U . . .
C326 C 0.34770(16) 0.64203(14) -0.77683(11) 0.0532(13) Uani 1 1 d . . . . .
C327 C 0.29747(16) 0.64386(13) -0.76992(10) 0.0485(12) Uani 1 1 d . . . . .
H32E H 0.279781 0.623712 -0.779088 0.058 Uiso 1 1 calc R U . . .
C328 C 0.4157(2) 0.6017(2) -0.80996(17) 0.096(2) Uani 1 1 d . . . . .
C329 C 0.43213(19) 0.56308(18) -0.82877(15) 0.0778(18) Uani 1 1 d . . . . .
C330 C 0.4092(2) 0.5293(2) -0.82048(15) 0.091(2) Uani 1 1 d . . . . .
H33B H 0.383846 0.530047 -0.803091 0.109 Uiso 1 1 calc R U . . .
C331 C 0.4254(2) 0.4916(2) -0.83963(17) 0.104(2) Uani 1 1 d . . . . .
H33C H 0.411855 0.467053 -0.834020 0.125 Uiso 1 1 calc R U . . .
C332 C 0.4591(3) 0.4929(2) -0.86464(16) 0.096(2) Uani 1 1 d . . . . .
C333 C 0.4795(3) 0.5263(2) -0.87190(19) 0.121(3) Uani 1 1 d . . . . .
H33D H 0.504570 0.525258 -0.889482 0.145 Uiso 1 1 calc R U . . .
C334 C 0.4663(2) 0.5638(2) -0.85512(18) 0.112(3) Uani 1 1 d . . . . .
H33E H 0.480325 0.587837 -0.861790 0.135 Uiso 1 1 calc R U . . .
N307 N 0.91229(14) 0.52565(12) -0.78102(9) 0.0611(11) Uani 1 1 d . . . . .
N308 N 0.82572(12) 0.51020(11) -0.80223(8) 0.0479(10) Uani 1 1 d . . . . .
N309 N 0.72364(14) 0.47702(12) -0.84876(10) 0.0662(12) Uani 1 1 d . . . . .
H30I H 0.700966 0.484964 -0.832937 0.079 Uiso 1 1 calc R U . . .
O303 O 0.73593(16) 0.44949(19) -0.90446(13) 0.147(2) Uani 1 1 d . . . . .
C335 C 0.9561(2) 0.53533(18) -0.77052(15) 0.0875(19) Uani 1 1 d . . . . .
H33F H 0.956020 0.552563 -0.751300 0.105 Uiso 1 1 calc R U . . .
C336 C 1.00144(18) 0.5216(2) -0.78617(15) 0.088(2) Uani 1 1 d . . . . .
H33G H 1.031593 0.528851 -0.777856 0.105 Uiso 1 1 calc R U . . .
C337 C 1.0009(2) 0.49786(19) -0.81315(14) 0.0847(19) Uani 1 1 d . . . . .
H33H H 1.031331 0.487301 -0.823982 0.102 Uiso 1 1 calc R U . . .
C338 C 0.95610(17) 0.48803(16) -0.82606(13) 0.0681(15) Uani 1 1 d . . . . .
H33I H 0.955464 0.472029 -0.845986 0.082 Uiso 1 1 calc R U . . .
C339 C 0.91270(16) 0.50287(14) -0.80822(12) 0.0574(14) Uani 1 1 d . . . . .
C340 C 0.86479(16) 0.49416(14) -0.82074(11) 0.0520(13) Uani 1 1 d . . . . .
C341 C 0.85979(17) 0.47095(15) -0.84937(12) 0.0625(14) Uani 1 1 d . . . . .
H34B H 0.888218 0.459284 -0.861969 0.075 Uiso 1 1 calc R U . . .
C342 C 0.81242(16) 0.46491(15) -0.85946(12) 0.0598(14) Uani 1 1 d . . . . .
H34C H 0.808041 0.449343 -0.879127 0.072 Uiso 1 1 calc R U . . .
C343 C 0.77157(16) 0.48225(13) -0.84002(11) 0.0526(13) Uani 1 1 d . . . . .
C344 C 0.77973(16) 0.50429(13) -0.81196(11) 0.0493(12) Uani 1 1 d . . . . .
H34D H 0.752012 0.515994 -0.798665 0.059 Uiso 1 1 calc R U . . .
C345 C 0.7064(2) 0.4627(2) -0.87574(17) 0.098(2) Uani 1 1 d . . . . .
C346 C 0.6489(2) 0.46168(19) -0.87896(15) 0.094(2) Uani 1 1 d . . . . .
C347 C 0.6322(2) 0.4633(3) -0.9145(2) 0.129(3) Uani 1 1 d . . . . .
H34E H 0.652469 0.467693 -0.934197 0.155 Uiso 1 1 calc R U . . .
C348 C 0.5853(3) 0.4580(3) -0.9153(3) 0.163(4) Uani 1 1 d . . . . .
H34F H 0.570741 0.456208 -0.937036 0.196 Uiso 1 1 calc R U . . .
C349 C 0.5535(2) 0.4546(3) -0.8829(2) 0.133(3) Uani 1 1 d . . . . .
C350 C 0.5678(3) 0.4534(3) -0.8517(2) 0.190(4) Uani 1 1 d . . . . .
H35A H 0.547354 0.448953 -0.832054 0.228 Uiso 1 1 calc R U . . .
C351 C 0.6237(2) 0.4605(2) -0.85034(17) 0.106(2) Uani 1 1 d . . . . .
H35B H 0.638704 0.463733 -0.828941 0.127 Uiso 1 1 calc R U . . .
N311 N 0.63761(16) 0.21882(14) -1.05706(11) 0.0764(11) Uani 1 1 d . U . . .
N312 N 0.55570(17) 0.29125(15) -1.00708(13) 0.0912(13) Uani 1 1 d D U . . .
H31K H 0.573909 0.291843 -0.988139 0.109 Uiso 0.5 1 d R U P Z 2
H31I H 0.525757 0.304794 -1.011437 0.109 Uiso 0.5 1 d R U P A 1
C30G C 0.5039(5) 0.4361(4) -0.8992(4) 0.107(3) Uiso 0.5 1 d . U P . .
C30H C 0.4600(5) 0.4558(4) -0.8858(3) 0.092(3) Uiso 0.5 1 d . U P S .
C31G C 0.4952(4) 0.4629(4) -0.8834(3) 0.088(3) Uiso 0.5 1 d . U P S .
C31H C 0.4724(5) 0.4375(4) -0.9042(3) 0.089(3) Uiso 0.5 1 d . U P S .
C353 C 0.6777(2) 0.1071(3) -1.1412(2) 0.124(3) Uiso 0.5 1 d D U P H 1
H35C H 0.691030 0.082519 -1.151873 0.148 Uiso 0.5 1 calc R U P B 1
C354 C 0.6295(3) 0.1252(3) -1.1479(2) 0.111(3) Uiso 0.5 1 d D U P H 1
H35D H 0.614910 0.123404 -1.169634 0.133 Uiso 0.5 1 calc R U P C 1
C355 C 0.6042(3) 0.1460(3) -1.1203(2) 0.114(3) Uiso 0.5 1 d D U P H 1
H35E H 0.570701 0.143619 -1.113999 0.136 Uiso 0.5 1 calc R U P D 1
C352 C 0.7052(3) 0.1261(2) -1.1184(2) 0.101(3) Uiso 0.5 1 d D U P H 1
H35F H 0.739442 0.116960 -1.116085 0.121 Uiso 0.5 1 calc R U P E 1
N310 N 0.6833(2) 0.1586(2) -1.0990(2) 0.095(2) Uiso 0.5 1 d D U P H 1
C356 C 0.6334(2) 0.1709(2) -1.1029(2) 0.086(2) Uiso 0.5 1 d D U P H 1
C56C C 0.6198(3) 0.1783(4) -1.1035(3) 0.099(2) Uiso 0.5 1 d D U P H 2
N10C N 0.6684(3) 0.1696(3) -1.1045(2) 0.098(2) Uiso 0.5 1 d D U P H 2
C54C C 0.6154(4) 0.1407(4) -1.1578(3) 0.117(3) Uiso 0.5 1 d D U P H 2
H54B H 0.596774 0.130861 -1.175437 0.141 Uiso 0.5 1 calc R U P F 2
C53C C 0.6666(4) 0.1300(4) -1.1544(3) 0.116(3) Uiso 0.5 1 d D U P H 2
H53B H 0.683334 0.112964 -1.171451 0.139 Uiso 0.5 1 calc R U P G 2
C52C C 0.6943(4) 0.1423(4) -1.1284(3) 0.108(3) Uiso 0.5 1 d D U P H 2
H52B H 0.728619 0.133135 -1.126599 0.129 Uiso 0.5 1 calc R U P H 2
C55C C 0.5948(4) 0.1673(4) -1.1325(3) 0.106(2) Uiso 0.5 1 d D U P H 2
H55B H 0.561372 0.178805 -1.135005 0.127 Uiso 0.5 1 calc R U P I 2
C357 C 0.6065(2) 0.2032(2) -1.07676(17) 0.1191(15) Uani 1 1 d . U . . .
C358 C 0.5591(2) 0.2157(2) -1.07548(17) 0.1111(16) Uani 1 1 d . U . . .
H35G H 0.538692 0.204084 -1.091002 0.133 Uiso 1 1 calc R U . . .
C359 C 0.5372(2) 0.24366(19) -1.05405(16) 0.0956(15) Uani 1 1 d . U . . .
H35H H 0.502534 0.252070 -1.053150 0.115 Uiso 1 1 calc R U . . .
C360 C 0.5740(2) 0.26040(19) -1.03131(16) 0.0894(15) Uani 1 1 d . U . . .
C361 C 0.6206(2) 0.24591(17) -1.03454(15) 0.0817(14) Uani 1 1 d . U . . .
H36A H 0.643453 0.255648 -1.019637 0.098 Uiso 1 1 calc R U . . .
C363 C 0.5453(2) 0.33895(16) -0.95464(11) 0.1080(16) Uani 1 1 d D U . . .
H36F H 0.572218 0.317448 -0.956250 0.130 Uiso 0.5 1 d R U P J 2
C362 C 0.5759(4) 0.3030(4) -0.9808(3) 0.088(2) Uiso 0.5 1 d . U P K 1
O304 O 0.6174(3) 0.2871(3) -0.9712(2) 0.118(3) Uiso 0.5 1 d . U P K 1
C364 C 0.5154(3) 0.3669(2) -0.97422(18) 0.092(2) Uiso 0.5 1 d D U P S 1
H36B H 0.513190 0.366089 -0.998564 0.111 Uiso 0.5 1 calc R U P L 1
C365 C 0.4890(4) 0.3963(3) -0.95378(17) 0.106(3) Uiso 0.5 1 d D U P S 1
H36C H 0.460193 0.411378 -0.962955 0.127 Uiso 0.5 1 calc R U P M 1
C366 C 0.5023(3) 0.4051(2) -0.92058(17) 0.091(3) Uiso 0.5 1 d D U P S 1
C367 C 0.5344(3) 0.3740(2) -0.9057(2) 0.095(3) Uiso 0.5 1 d D U P S 1
H36D H 0.538649 0.375727 -0.881611 0.114 Uiso 0.5 1 calc R U P N 1
C368 C 0.5610(3) 0.3406(2) -0.92170(16) 0.091(2) Uiso 0.5 1 d D U P S 1
H36E H 0.586018 0.322100 -0.911358 0.109 Uiso 0.5 1 calc R U P O 1
O04C O 0.4759(4) 0.3133(3) -1.0243(3) 0.129(3) Uiso 0.5 1 d . U P S 2
C62C C 0.5200(4) 0.3173(4) -1.0062(4) 0.108(2) Uiso 0.5 1 d D U P S 2
C64C C 0.5111(3) 0.3474(2) -0.9793(2) 0.100(2) Uiso 0.5 1 d D U P S 2
C65C C 0.4845(4) 0.3847(2) -0.9843(2) 0.108(3) Uiso 0.5 1 d D U P S 2
H65A H 0.465417 0.391292 -1.004215 0.129 Uiso 0.5 1 calc R U P P 2
C66C C 0.4873(4) 0.4126(2) -0.95824(16) 0.102(3) Uiso 0.5 1 d D U P S 2
H66A H 0.475749 0.440380 -0.962776 0.122 Uiso 0.5 1 calc R U P Q 2
C67C C 0.5064(3) 0.4017(2) -0.92567(18) 0.086(2) Uiso 0.5 1 d D U P S 2
C68C C 0.5376(4) 0.3647(2) -0.92555(19) 0.113(3) Uiso 0.5 1 d D U P S 2
H68A H 0.554408 0.356316 -0.905003 0.136 Uiso 0.5 1 calc R U P R 2
N401 N 0.17846(12) 0.70972(10) -0.79143(8) 0.0457(10) Uani 1 1 d . . . . .
N402 N 0.17860(11) 0.63157(9) -0.77598(8) 0.0383(9) Uani 1 1 d . . . . .
N403 N 0.16927(14) 0.52280(11) -0.77553(10) 0.0616(11) Uani 1 1 d . . . . .
H40G H 0.187714 0.516149 -0.757531 0.074 Uiso 1 1 calc R U . . .
C401 C 0.17706(17) 0.74994(14) -0.79690(12) 0.0572(13) Uani 1 1 d . . . . .
H40A H 0.187317 0.766195 -0.779252 0.069 Uiso 1 1 calc R U . . .
C402 C 0.16078(18) 0.76871(14) -0.82815(12) 0.0621(14) Uani 1 1 d . . . . .
H40B H 0.161462 0.797064 -0.832092 0.075 Uiso 1 1 calc R U . . .
C403 C 0.1444(2) 0.74581(17) -0.85208(13) 0.0785(17) Uani 1 1 d . . . . .
H40C H 0.131286 0.758512 -0.872600 0.094 Uiso 1 1 calc R U . . .
C404 C 0.14589(17) 0.70386(13) -0.84788(12) 0.0576(13) Uani 1 1 d . . . . .
H40D H 0.135279 0.687317 -0.865189 0.069 Uiso 1 1 calc R U . . .
C405 C 0.16446(15) 0.68726(12) -0.81577(10) 0.0430(11) Uani 1 1 d . . . . .
C406 C 0.16819(14) 0.64276(13) -0.80847(11) 0.0452(12) Uani 1 1 d . . . . .
C407 C 0.15742(18) 0.61412(14) -0.83198(11) 0.0611(14) Uani 1 1 d . . . . .
H40E H 0.148361 0.622418 -0.854763 0.073 Uiso 1 1 calc R U . . .
C408 C 0.15991(19) 0.57459(13) -0.82223(12) 0.0638(14) Uani 1 1 d . . . . .
H40F H 0.155739 0.554495 -0.838603 0.077 Uiso 1 1 calc R U . . .
C409 C 0.16856(15) 0.56364(12) -0.78831(11) 0.0472(12) Uani 1 1 d . . . . .
C410 C 0.17959(15) 0.59321(13) -0.76655(11) 0.0473(12) Uani 1 1 d . . . . .
H41B H 0.188336 0.585482 -0.743590 0.057 Uiso 1 1 calc R U . . .
O401 O 0.12052(13) 0.49890(10) -0.81388(10) 0.0862(12) Uani 1 1 d . . . . .
C411 C 0.14527(17) 0.49351(15) -0.78763(13) 0.0612(14) Uani 1 1 d . . . . .
C412 C 0.14803(17) 0.45486(13) -0.76821(12) 0.0562(13) Uani 1 1 d . . . . .
C413 C 0.18733(19) 0.44078(16) -0.74810(13) 0.0717(16) Uani 1 1 d . . . . .
H41C H 0.214080 0.456457 -0.746063 0.086 Uiso 1 1 calc R U . . .
C414 C 0.1880(2) 0.40302(18) -0.73047(16) 0.091(2) Uani 1 1 d . . . . .
H41D H 0.215278 0.393342 -0.716583 0.109 Uiso 1 1 calc R U . . .
C415 C 0.14998(18) 0.38039(14) -0.73317(12) 0.0628(14) Uani 1 1 d . . . . .
C416 C 0.1119(2) 0.39490(16) -0.75415(15) 0.0859(18) Uani 1 1 d . . . . .
H41E H 0.085733 0.378805 -0.756912 0.103 Uiso 1 1 calc R U . . .
C417 C 0.1101(2) 0.43081(16) -0.77091(17) 0.0861(19) Uani 1 1 d . . . . .
H41F H 0.082567 0.439897 -0.784775 0.103 Uiso 1 1 calc R U . . .
N404 N 0.0902(2) 0.2991(2) -1.04895(15) 0.0636(15) Uani 0.6284(18) 1 d . U P S
1
N405 N 0.1037(2) 0.30245(19) -0.98185(15) 0.0572(14) Uani 0.6284(18) 1 d . U P
S 1
C418 C 0.0832(3) 0.3007(3) -1.0828(2) 0.0743(18) Uani 0.6284(18) 1 d . U P S 1
H41G H 0.093766 0.322026 -1.096831 0.089 Uiso 0.6284(18) 1 calc R U P S 1
C419 C 0.0596(3) 0.2694(3) -1.0971(2) 0.0807(19) Uani 0.6284(18) 1 d . U P S 1
H41H H 0.054912 0.270059 -1.121253 0.097 Uiso 0.6284(18) 1 calc R U P S 1
C420 C 0.0442(3) 0.2403(3) -1.0792(2) 0.081(2) Uani 0.6284(18) 1 d . U P S 1
H42B H 0.030857 0.218726 -1.089886 0.098 Uiso 0.6284(18) 1 calc R U P S 1
C421 C 0.0475(3) 0.2412(3) -1.0445(2) 0.0734(19) Uani 0.6284(18) 1 d . U P S 1
H42C H 0.031476 0.223160 -1.029890 0.088 Uiso 0.6284(18) 1 calc R U P S 1
C422 C 0.0755(3) 0.2700(3) -1.0309(2) 0.0691(16) Uani 0.6284(18) 1 d . U P S 1
C423 C 0.0807(3) 0.2722(3) -0.99162(19) 0.0625(16) Uani 0.6284(18) 1 d . U P S
1
C424 C 0.0659(3) 0.2446(3) -0.9698(2) 0.0711(18) Uani 0.6284(18) 1 d . U P S 1
H42D H 0.048838 0.223370 -0.977641 0.085 Uiso 0.6284(18) 1 calc R U P S 1
C425 C 0.0758(3) 0.2474(3) -0.9352(2) 0.0696(18) Uani 0.6284(18) 1 d . U P S 1
H42E H 0.066037 0.228033 -0.918737 0.084 Uiso 0.6284(18) 1 calc R U P S 1
C426 C 0.0996(3) 0.2781(2) -0.92550(19) 0.0589(16) Uani 0.6284(18) 1 d . U P S
1
C427 C 0.1109(3) 0.3054(3) -0.94726(19) 0.0629(17) Uani 0.6284(18) 1 d . U P S
1
H42F H 0.124724 0.328327 -0.939205 0.075 Uiso 0.6284(18) 1 calc R U P S 1
N406 N 0.1054(2) 0.2849(2) -0.88870(17) 0.0726(16) Uani 0.6284(18) 1 d . U P S
1
H40I H 0.084772 0.274900 -0.873874 0.087 Uiso 0.6284(18) 1 calc R U P S 1
O402 O 0.1616(2) 0.3308(2) -0.89214(14) 0.100(2) Uani 0.6284(18) 1 d . U P S 1
C428 C 0.1394(3) 0.3050(3) -0.8767(2) 0.0774(19) Uani 0.6284(18) 1 d . U P S 1
C430 C 0.1031(3) 0.2875(3) -0.81810(19) 0.0788(18) Uani 0.6284(18) 1 d D U P S
1
H43A H 0.075818 0.277773 -0.828534 0.095 Uiso 0.6284(18) 1 calc R U P S 1
C429 C 0.1394(3) 0.3021(3) -0.8372(2) 0.0786(18) Uani 0.6284(18) 1 d D U P S 1
C431 C 0.1075(3) 0.2874(3) -0.78121(19) 0.085(2) Uani 0.6284(18) 1 d D U P S 1
H43B H 0.083658 0.275678 -0.767015 0.102 Uiso 0.6284(18) 1 calc R U P S 1
C432 C 0.1447(3) 0.3035(3) -0.7664(2) 0.0719(18) Uani 0.6284(18) 1 d D U P S 1
C433 C 0.1817(3) 0.3171(3) -0.78637(18) 0.076(2) Uani 0.6284(18) 1 d D U P S 1
H43C H 0.208518 0.327278 -0.775666 0.092 Uiso 0.6284(18) 1 calc R U P S 1
C434 C 0.1806(3) 0.3163(3) -0.82190(19) 0.084(2) Uani 0.6284(18) 1 d D U P S 1
H43D H 0.206769 0.325138 -0.835756 0.100 Uiso 0.6284(18) 1 calc R U P S 1
N04D N 0.1221(4) 0.2921(3) -1.0575(3) 0.058(2) Uiso 0.3716(18) 1 d . U P S 2
N05D N 0.1268(3) 0.2966(3) -0.9903(3) 0.0505(19) Uiso 0.3716(18) 1 d . U P S 2
N06D N 0.1253(4) 0.2749(4) -0.8959(3) 0.076(2) Uiso 0.3716(18) 1 d . U P S 2
H06A H 0.151471 0.286858 -0.891279 0.091 Uiso 0.3716(18) 1 calc R U P S 2
C22D C 0.1137(5) 0.2616(4) -1.0401(4) 0.067(2) Uiso 0.3716(18) 1 d . U P S 2
C18D C 0.1178(5) 0.2928(5) -1.0933(4) 0.074(3) Uiso 0.3716(18) 1 d . U P S 2
H18A H 0.123245 0.316380 -1.106585 0.089 Uiso 0.3716(18) 1 calc R U P S 2
C19D C 0.1052(5) 0.2579(5) -1.1092(4) 0.084(3) Uiso 0.3716(18) 1 d . U P S 2
H19A H 0.107637 0.256822 -1.133665 0.101 Uiso 0.3716(18) 1 calc R U P S 2
C20D C 0.0905(5) 0.2275(5) -1.0924(4) 0.083(3) Uiso 0.3716(18) 1 d . U P S 2
H20J H 0.082936 0.204034 -1.103817 0.100 Uiso 0.3716(18) 1 calc R U P S 2
C23D C 0.1090(5) 0.2620(4) -1.0008(4) 0.068(2) Uiso 0.3716(18) 1 d . U P S 2
C21D C 0.0857(6) 0.2306(5) -1.0542(4) 0.085(2) Uiso 0.3716(18) 1 d . U P S 2
H21I H 0.066521 0.214150 -1.040203 0.102 Uiso 0.3716(18) 1 calc R U P S 2
C26D C 0.1222(5) 0.2716(4) -0.9319(4) 0.064(2) Uiso 0.3716(18) 1 d . U P S 2
C24D C 0.0940(5) 0.2344(4) -0.9790(3) 0.064(2) Uiso 0.3716(18) 1 d . U P S 2
H24G H 0.076932 0.213092 -0.986835 0.077 Uiso 0.3716(18) 1 calc R U P S 2
C27D C 0.1307(5) 0.2996(4) -0.9553(3) 0.058(2) Uiso 0.3716(18) 1 d . U P S 2
H27A H 0.140362 0.324248 -0.947169 0.070 Uiso 0.3716(18) 1 calc R U P S 2
C25D C 0.1046(5) 0.2378(4) -0.9419(4) 0.066(2) Uiso 0.3716(18) 1 d . U P S 2
H25I H 0.099121 0.216617 -0.925834 0.079 Uiso 0.3716(18) 1 calc R U P S 2
O02D O 0.0684(4) 0.2353(4) -0.8645(3) 0.109(3) Uiso 0.3716(18) 1 d . U P S 2
C28D C 0.0998(5) 0.2651(5) -0.8636(4) 0.075(3) Uiso 0.3716(18) 1 d . U P S 2
C30D C 0.1113(4) 0.2803(4) -0.8292(3) 0.082(2) Uiso 0.3716(18) 1 d D U P S 2
C29D C 0.1526(4) 0.2993(4) -0.8246(3) 0.088(2) Uiso 0.3716(18) 1 d D U P S 2
H29A H 0.173362 0.306773 -0.843181 0.106 Uiso 0.3716(18) 1 calc R U P S 2
C31D C 0.0730(4) 0.2784(5) -0.8046(3) 0.096(3) Uiso 0.3716(18) 1 d D U P S 2
H31L H 0.041810 0.270119 -0.809748 0.115 Uiso 0.3716(18) 1 calc R U P S 2
C32D C 0.0851(4) 0.2900(5) -0.7715(3) 0.093(3) Uiso 0.3716(18) 1 d D U P S 2
H32F H 0.061004 0.287748 -0.753558 0.112 Uiso 0.3716(18) 1 calc R U P S 2
C33D C 0.1288(4) 0.3046(5) -0.7623(3) 0.079(3) Uiso 0.3716(18) 1 d D U P S 2
C34D C 0.1620(4) 0.3070(5) -0.7892(3) 0.090(3) Uiso 0.3716(18) 1 d D U P S 2
H34G H 0.193656 0.314235 -0.784107 0.108 Uiso 0.3716(18) 1 calc R U P S 2
O403 O 0.0704(4) 0.1689(3) -0.6211(3) 0.135(4) Uiso 0.5 1 d . . P . .
O03D O 0.0970(4) 0.1674(4) -0.6154(3) 0.142(4) Uiso 0.5 1 d . . P . .
N407 N 0.06996(17) -0.05061(14) -0.63902(12) 0.0872(15) Uani 1 1 d . . . . .
N408 N 0.09542(17) 0.02173(13) -0.65565(12) 0.0825(15) Uani 1 1 d . . . . .
N409 N 0.1180(2) 0.12766(14) -0.65935(15) 0.109(2) Uani 1 1 d . . . . .
H40H H 0.134718 0.127152 -0.679095 0.131 Uiso 1 1 calc R U . . .
C435 C 0.0601(2) -0.08895(18) -0.63297(17) 0.100(2) Uani 1 1 d . . . . .
H43E H 0.059951 -0.107057 -0.651557 0.120 Uiso 1 1 calc R U . . .
C436 C 0.0502(3) -0.1021(2) -0.5995(2) 0.126(3) Uani 1 1 d . . . . .
H43F H 0.039659 -0.128235 -0.595841 0.152 Uiso 1 1 calc R U . . .
C437 C 0.0554(3) -0.0778(2) -0.5711(2) 0.149(3) Uani 1 1 d . . . . .
H43G H 0.052376 -0.087462 -0.548022 0.179 Uiso 1 1 calc R U . . .
C438 C 0.0655(3) -0.0375(2) -0.57957(18) 0.126(3) Uani 1 1 d . . . . .
H43H H 0.066170 -0.018199 -0.561955 0.151 Uiso 1 1 calc R U . . .
C439 C 0.0747(2) -0.02657(18) -0.61425(16) 0.091(2) Uani 1 1 d . . . . .
C440 C 0.0865(2) 0.01518(17) -0.62296(15) 0.090(2) Uani 1 1 d . . . . .
C441 C 0.0879(2) 0.04504(19) -0.60010(17) 0.104(2) Uani 1 1 d . . . . .
H44B H 0.081028 0.039217 -0.576489 0.124 Uiso 1 1 calc R U . . .
C442 C 0.0990(3) 0.0843(2) -0.60935(18) 0.122(3) Uani 1 1 d . . . . .
H44C H 0.100410 0.105137 -0.593146 0.147 Uiso 1 1 calc R U . . .
C443 C 0.1078(2) 0.08966(17) -0.64490(17) 0.093(2) Uani 1 1 d . . . . .
C444 C 0.1057(2) 0.06010(15) -0.66642(15) 0.0782(17) Uani 1 1 d . . . . .
H44D H 0.111335 0.065163 -0.690310 0.094 Uiso 1 1 calc R U . . .
C445 C 0.1053(3) 0.1621(3) -0.6465(2) 0.139(3) Uani 1 1 d . . . . .
C446 C 0.1156(3) 0.2021(2) -0.66774(19) 0.114(2) Uani 1 1 d . . . . .
C447 C 0.0858(3) 0.2357(2) -0.6607(2) 0.141(3) Uani 1 1 d . . . . .
H44E H 0.059906 0.236064 -0.643693 0.169 Uiso 1 1 calc R U . . .
C448 C 0.0950(3) 0.2712(2) -0.6800(2) 0.130(3) Uani 1 1 d . . . . .
H44F H 0.074803 0.296177 -0.675814 0.156 Uiso 1 1 calc R U . . .
C449 C 0.1356(2) 0.27017(16) -0.70669(15) 0.0814(18) Uani 1 1 d . . . . .
C450 C 0.1629(2) 0.23383(19) -0.71225(17) 0.100(2) Uani 1 1 d . . . . .
H45A H 0.188454 0.232204 -0.729540 0.120 Uiso 1 1 calc R U . . .
C451 C 0.1543(3) 0.19667(19) -0.69230(17) 0.106(2) Uani 1 1 d . . . . .
H45B H 0.173574 0.171152 -0.695855 0.127 Uiso 1 1 calc R U . . .
C40G C 0.1507(2) 0.34139(19) -0.71297(15) 0.0904(19) Uani 1 1 d . . . . .
C41G C 0.1431(2) 0.30604(18) -0.72624(15) 0.091(2) Uani 1 1 d . . . . .
N410 N 0.21456(16) 0.33845(14) -0.38681(10) 0.0754(13) Uani 1 1 d . . . . .
N411 N 0.19916(14) 0.33696(12) -0.45499(9) 0.0616(12) Uani 1 1 d . . . . .
N412 N 0.1724(2) 0.36126(16) -0.54522(12) 0.1036(18) Uani 1 1 d . . . . .
H41J H 0.154973 0.382145 -0.556377 0.124 Uiso 0.5 1 d R U P T 2
H41I H 0.182733 0.336115 -0.552827 0.124 Uiso 0.5 1 d R U P U 1
C452 C 0.2236(3) 0.3388(2) -0.35433(14) 0.106(2) Uani 1 1 d . . . . .
H45C H 0.225023 0.313781 -0.341703 0.127 Uiso 1 1 calc R U . . .
C453 C 0.2314(3) 0.3731(2) -0.33678(17) 0.113(3) Uani 1 1 d . . . . .
H45D H 0.240706 0.371475 -0.313342 0.136 Uiso 1 1 calc R U . . .
C454 C 0.2250(3) 0.4099(2) -0.35471(16) 0.111(2) Uani 1 1 d . . . . .
H45E H 0.227973 0.434153 -0.342776 0.133 Uiso 1 1 calc R U . . .
C455 C 0.2144(2) 0.41261(19) -0.38986(15) 0.092(2) Uani 1 1 d . . . . .
H45F H 0.212208 0.437441 -0.402822 0.110 Uiso 1 1 calc R U . . .
C456 C 0.2073(2) 0.3746(2) -0.40442(14) 0.0867(19) Uani 1 1 d . . . . .
C457 C 0.1966(2) 0.37336(18) -0.44157(13) 0.0796(18) Uani 1 1 d . . . . .
C458 C 0.1823(3) 0.4087(2) -0.46065(17) 0.122(3) Uani 1 1 d . . . . .
H45G H 0.176643 0.434426 -0.449948 0.147 Uiso 1 1 calc R U . . .
C459 C 0.1763(3) 0.4051(2) -0.49701(17) 0.130(3) Uani 1 1 d . . . . .
H45H H 0.170371 0.428407 -0.511757 0.156 Uiso 1 1 calc R U . . .
C460 C 0.1794(2) 0.36621(19) -0.50959(14) 0.0877(19) Uani 1 1 d . . . . .
C461 C 0.19152(19) 0.33290(16) -0.48776(12) 0.0683(16) Uani 1 1 d . . . . .
H46A H 0.194320 0.306350 -0.496907 0.082 Uiso 1 1 calc R U . . .
C463 C 0.1490(3) 0.3684(2) -0.6126(2) 0.125(3) Uani 1 1 d . . . . .
H46E H 0.136698 0.385982 -0.594145 0.150 Uiso 0.5 1 d R U P V 2
C464 C 0.1798(3) 0.3383(2) -0.61214(18) 0.113(3) Uani 1 1 d . . . . .
H46F H 0.198106 0.325636 -0.593165 0.135 Uiso 0.5 1 d R U P W 1
O404 O 0.1639(9) 0.4391(8) -0.5685(7) 0.104(8) Uiso 0.1667 1 d . . P X 1
O04' O 0.1327(5) 0.4236(5) -0.5620(4) 0.125(5) Uiso 0.3333 1 d . . P X 1
C462 C 0.1520(4) 0.3867(4) -0.5688(3) 0.087(3) Uiso 0.5 1 d . . P X 1
C465 C 0.1786(5) 0.3274(4) -0.6542(4) 0.100(4) Uiso 0.5 1 d . . P X 1
H46B H 0.202576 0.308324 -0.665101 0.120 Uiso 0.5 1 calc R U P Y 1
C466 C 0.1393(4) 0.3487(4) -0.6713(3) 0.079(3) Uiso 0.5 1 d . . P X 1
C467 C 0.1137(4) 0.3820(4) -0.6585(3) 0.090(4) Uiso 0.5 1 d . . P X 1
H46C H 0.090475 0.399473 -0.671379 0.108 Uiso 0.5 1 calc R U P Z 1
C468 C 0.1237(5) 0.3886(5) -0.6261(4) 0.116(5) Uiso 0.5 1 d . . P X 1
H46D H 0.107568 0.412042 -0.615070 0.139 Uiso 0.5 1 calc R U P A 1
C62D C 0.1891(5) 0.3327(4) -0.5625(4) 0.102(4) Uiso 0.5 1 d . . P X 2
O4D O 0.2092(4) 0.2935(3) -0.5528(3) 0.142(4) Uiso 0.5 1 d . . P X 2
C65D C 0.2065(5) 0.3104(5) -0.6246(4) 0.113(5) Uiso 0.5 1 d . . P X 2
H65B H 0.227950 0.290306 -0.612755 0.136 Uiso 0.5 1 calc R U P B 2
C66D C 0.1991(4) 0.3139(4) -0.6595(3) 0.084(3) Uiso 0.5 1 d . . P X 2
H66B H 0.219782 0.296043 -0.673997 0.101 Uiso 0.5 1 calc R U P C 2
C67D C 0.1632(3) 0.3422(3) -0.6754(2) 0.044(2) Uiso 0.5 1 d . . P X 2
C68D C 0.1370(5) 0.3698(4) -0.6560(3) 0.090(4) Uiso 0.5 1 d . . P X 2
H68B H 0.112617 0.389483 -0.665564 0.109 Uiso 0.5 1 calc R U P D 2
O501 O 0.5861(2) 0.5985(2) -0.70153(18) 0.129(2) Uani 0.75 1 d . . P . .
O01E O 0.5399(14) 0.5631(13) -0.7523(10) 0.271(17) Uiso 0.25 1 d . . P . .
N501 N 0.83603(15) 0.60345(12) -0.78760(9) 0.0651(11) Uani 1 1 d . . . . .
N502 N 0.76789(13) 0.57173(11) -0.74998(9) 0.0518(10) Uani 1 1 d . . . . .
N503 N 0.65395(14) 0.55134(13) -0.70244(10) 0.0704(13) Uani 1 1 d . . . . .
H50I H 0.666568 0.528099 -0.693001 0.085 Uiso 1 1 calc R U . . .
C501 C 0.8741(2) 0.61696(18) -0.80687(14) 0.0849(18) Uani 1 1 d . . . . .
H50C H 0.905841 0.601556 -0.807776 0.102 Uiso 1 1 calc R U . . .
C502 C 0.8648(3) 0.65494(19) -0.82568(15) 0.101(2) Uani 1 1 d . . . . .
H50D H 0.890426 0.664521 -0.839558 0.121 Uiso 1 1 calc R U . . .
C503 C 0.8210(3) 0.67645(19) -0.82378(16) 0.106(2) Uani 1 1 d . . . . .
H50E H 0.815839 0.701941 -0.835694 0.127 Uiso 1 1 calc R U . . .
C504 C 0.7806(2) 0.66213(17) -0.80396(15) 0.0848(19) Uani 1 1 d . . . . .
H50F H 0.748431 0.676812 -0.803010 0.102 Uiso 1 1 calc R U . . .
C505 C 0.7922(2) 0.62556(15) -0.78647(12) 0.0661(15) Uani 1 1 d . . . . .
C506 C 0.75263(19) 0.60896(15) -0.76436(13) 0.0647(15) Uani 1 1 d . . . . .
C507 C 0.7069(2) 0.62799(17) -0.75831(14) 0.0848(19) Uani 1 1 d . . . . .
H50G H 0.699094 0.654772 -0.767509 0.102 Uiso 1 1 calc R U . . .
C508 C 0.6712(2) 0.61119(16) -0.73982(15) 0.0811(18) Uani 1 1 d . . . . .
H50H H 0.638237 0.624216 -0.737339 0.097 Uiso 1 1 calc R U . . .
C509 C 0.68730(18) 0.57152(15) -0.72404(13) 0.0653(15) Uani 1 1 d . . . . .
C510 C 0.73395(17) 0.55392(15) -0.73006(11) 0.0588(14) Uani 1 1 d . . . . .
H51A H 0.743696 0.527872 -0.719954 0.071 Uiso 1 1 calc R U . . .
C511 C 0.6088(2) 0.5623(2) -0.69507(17) 0.100(2) Uani 1 1 d . . . . .
C512 C 0.5804(2) 0.53393(18) -0.67362(15) 0.0812(18) Uani 1 1 d . . . . .
C515 C 0.5249(2) 0.4840(2) -0.63216(17) 0.110(2) Uani 1 1 d . . . . .
C513 C 0.5439(3) 0.5510(3) -0.6482(2) 0.129(3) Uani 1 1 d . . . . .
H51B H 0.537970 0.579452 -0.644821 0.154 Uiso 1 1 calc R U . . .
C514 C 0.5184(2) 0.5243(3) -0.62933(18) 0.140(3) Uani 1 1 d . . . . .
H51C H 0.494242 0.535466 -0.612957 0.168 Uiso 1 1 calc R U . . .
C516 C 0.5575(3) 0.4679(3) -0.6540(2) 0.179(3) Uani 1 1 d . . . . .
H51D H 0.562486 0.439172 -0.656097 0.214 Uiso 1 1 calc R U . . .
C517 C 0.5886(2) 0.4942(2) -0.67670(17) 0.110(2) Uani 1 1 d . . . . .
H51E H 0.613064 0.482207 -0.692521 0.132 Uiso 1 1 calc R U . . .
N504 N 0.11772(12) 0.69217(10) -0.72331(8) 0.0445(9) Uani 1 1 d . U . . .
N505 N 0.19353(12) 0.64310(11) -0.69800(8) 0.0464(9) Uani 1 1 d . U . . .
N506 N 0.27422(15) 0.57251(13) -0.64550(10) 0.0724(11) Uani 1 1 d . U . . .
H50J H 0.299341 0.574150 -0.660046 0.087 Uiso 1 1 calc R U . . .
C518 C 0.08194(16) 0.71760(14) -0.73732(11) 0.0537(12) Uani 1 1 d . U . . .
H51F H 0.089561 0.732994 -0.757321 0.064 Uiso 1 1 calc R U . . .
C519 C 0.03489(17) 0.72246(16) -0.72416(12) 0.0632(13) Uani 1 1 d . U . . .
H51G H 0.010222 0.740994 -0.734804 0.076 Uiso 1 1 calc R U . . .
C520 C 0.02370(18) 0.70108(16) -0.69631(13) 0.0663(13) Uani 1 1 d . U . . .
H52C H -0.008930 0.704838 -0.686605 0.080 Uiso 1 1 calc R U . . .
C521 C 0.05936(16) 0.67331(15) -0.68131(12) 0.0605(12) Uani 1 1 d . U . . .
H52D H 0.051237 0.656792 -0.662119 0.073 Uiso 1 1 calc R U . . .
C522 C 0.10821(15) 0.67018(13) -0.69532(10) 0.0464(10) Uani 1 1 d . U . . .
C523 C 0.14906(15) 0.64262(14) -0.68017(11) 0.0500(11) Uani 1 1 d . U . . .
C524 C 0.14605(16) 0.61939(14) -0.65130(12) 0.0567(11) Uani 1 1 d . U . . .
H52E H 0.114983 0.619311 -0.639516 0.068 Uiso 1 1 calc R U . . .
C525 C 0.18590(17) 0.59639(15) -0.63882(12) 0.0628(12) Uani 1 1 d . U . . .
H52F H 0.183060 0.580884 -0.618102 0.075 Uiso 1 1 calc R U . . .
C526 C 0.23099(16) 0.59534(15) -0.65618(11) 0.0575(11) Uani 1 1 d . U . . .
C527 C 0.23221(16) 0.62004(14) -0.68556(11) 0.0524(11) Uani 1 1 d . U . . .
H52G H 0.263087 0.620361 -0.697554 0.063 Uiso 1 1 calc R U . . .
O502 O 0.2525(2) 0.54183(19) -0.59475(14) 0.1491(19) Uani 1 1 d . U . . .
C528 C 0.2859(2) 0.5493(2) -0.61878(17) 0.1015(15) Uani 1 1 d . U . . .
C529 C 0.3388(2) 0.5258(2) -0.61679(16) 0.0968(14) Uani 1 1 d . U . . .
C532 C 0.4296(2) 0.4849(2) -0.61283(17) 0.1089(16) Uani 1 1 d . U . . .
C530 C 0.3547(3) 0.5189(2) -0.5816(2) 0.1267(17) Uani 1 1 d . U . . .
H53C H 0.336433 0.528668 -0.561645 0.152 Uiso 1 1 calc R U . . .
C531 C 0.4012(3) 0.4957(3) -0.5817(2) 0.1336(17) Uani 1 1 d . U . . .
H53D H 0.414795 0.486545 -0.560224 0.160 Uiso 1 1 calc R U . . .
C533 C 0.4112(3) 0.4861(3) -0.6461(2) 0.1309(17) Uani 1 1 d . U . . .
H53E H 0.426265 0.471678 -0.665320 0.157 Uiso 1 1 calc R U . . .
C534 C 0.3592(2) 0.5166(2) -0.64620(18) 0.1081(16) Uani 1 1 d . U . . .
H53F H 0.344826 0.527103 -0.667087 0.130 Uiso 1 1 calc R U . . .
N507 N 0.24813(19) 0.24413(15) -0.38008(12) 0.0949(13) Uani 1 1 d . U . . .
N508 N 0.29471(17) 0.28219(14) -0.42808(11) 0.0839(12) Uani 1 1 d . U . . .
N509 N 0.3898(2) 0.32262(17) -0.48287(13) 0.1063(14) Uani 1 1 d . U . . .
H50K H 0.422285 0.320784 -0.482374 0.128 Uiso 1 1 calc R U . . .
C535 C 0.2174(3) 0.2236(2) -0.35583(16) 0.1098(17) Uani 1 1 d . U . . .
H53G H 0.182328 0.228725 -0.354363 0.132 Uiso 1 1 calc R U . . .
C536 C 0.2472(3) 0.1942(2) -0.33393(17) 0.1098(18) Uani 1 1 d . U . . .
H53H H 0.229413 0.179051 -0.317869 0.132 Uiso 1 1 calc R U . . .
C537 C 0.2906(3) 0.1871(2) -0.33382(17) 0.1088(17) Uani 1 1 d . U . . .
H53I H 0.306608 0.168381 -0.317540 0.131 Uiso 1 1 calc R U . . .
C538 C 0.3176(3) 0.2069(2) -0.35839(17) 0.1133(17) Uani 1 1 d . U . . .
H53J H 0.352481 0.200244 -0.359844 0.136 Uiso 1 1 calc R U . . .
C539 C 0.2951(2) 0.23634(19) -0.38093(14) 0.0918(15) Uani 1 1 d . U . . .
C540 C 0.3208(2) 0.25812(19) -0.40665(15) 0.0919(14) Uani 1 1 d . U . . .
C541 C 0.3730(3) 0.2542(2) -0.41063(17) 0.1147(16) Uani 1 1 d . U . . .
H54C H 0.392849 0.236640 -0.395412 0.138 Uiso 1 1 calc R U . . .
C542 C 0.3946(3) 0.2746(2) -0.43539(17) 0.1133(16) Uani 1 1 d . U . . .
H54D H 0.429714 0.271712 -0.437513 0.136 Uiso 1 1 calc R U . . .
C543 C 0.3669(2) 0.3002(2) -0.45817(16) 0.1001(15) Uani 1 1 d . U . . .
C544 C 0.3157(2) 0.30416(19) -0.45294(14) 0.0905(14) Uani 1 1 d . U . . .
H54E H 0.295243 0.322586 -0.467082 0.109 Uiso 1 1 calc R U . . .
O503 O 0.3161(4) 0.3782(4) -0.4858(3) 0.164(3) Uani 0.5 1 d . U P E 1
O03E O 0.3229(3) 0.3447(3) -0.5172(2) 0.109(2) Uani 0.5 1 d . U P E 2
C545 C 0.3683(3) 0.3466(3) -0.5072(2) 0.1284(17) Uani 1 1 d . U . . .
C547 C 0.3934(3) 0.3749(2) -0.56561(18) 0.1378(17) Uani 1 1 d D U . . .
H54F H 0.364878 0.365687 -0.574834 0.165 Uiso 1 1 calc R U . . .
C548 C 0.4238(3) 0.3991(2) -0.58648(19) 0.1359(17) Uani 1 1 d D U . . .
H54G H 0.417876 0.404644 -0.610226 0.163 Uiso 1 1 calc R U . . .
C549 C 0.4615(2) 0.4134(2) -0.57024(17) 0.1160(16) Uani 1 1 d D U . . .
C550 C 0.4774(3) 0.4038(2) -0.53900(18) 0.1356(17) Uani 1 1 d D U . . .
H55C H 0.506573 0.412670 -0.530529 0.163 Uiso 1 1 calc R U . . .
C546 C 0.4059(2) 0.3657(2) -0.53270(17) 0.1193(15) Uani 1 1 d D U . . .
C551 C 0.4472(3) 0.3790(2) -0.51868(19) 0.1355(17) Uani 1 1 d D U . . .
H55D H 0.455578 0.371710 -0.495577 0.163 Uiso 1 1 calc R U . . .
C50G C 0.4871(4) 0.4690(3) -0.6097(2) 0.061(3) Uiso 0.5 1 d . . P . .
C51G C 0.5009(3) 0.4355(3) -0.5928(2) 0.052(2) Uiso 0.5 1 d . . P F .
C50H C 0.4666(6) 0.4450(6) -0.6039(5) 0.141(6) Uiso 0.5 1 d . . P . .
C51H C 0.5151(5) 0.4429(4) -0.6148(4) 0.107(4) Uiso 0.5 1 d . . P F .
N510 N 0.86697(16) 0.21867(15) -0.47306(12) 0.0817(12) Uani 1 1 d . U . . .
N511 N 0.79186(15) 0.25841(13) -0.50555(11) 0.0732(10) Uani 1 1 d . U . . .
C552 C 0.9048(2) 0.19434(19) -0.45844(15) 0.0860(15) Uani 1 1 d . U . . .
H55E H 0.897068 0.172761 -0.443457 0.103 Uiso 1 1 calc R U . . .
C553 C 0.9503(2) 0.1991(2) -0.46386(17) 0.1064(17) Uani 1 1 d . U . . .
H55F H 0.975391 0.181942 -0.452243 0.128 Uiso 1 1 calc R U . . .
C554 C 0.9630(3) 0.2289(2) -0.48651(18) 0.1115(18) Uani 1 1 d . U . . .
H55G H 0.996894 0.232456 -0.490171 0.134 Uiso 1 1 calc R U . . .
C555 C 0.9280(2) 0.2532(2) -0.50360(18) 0.1116(16) Uani 1 1 d . U . . .
H55H H 0.935900 0.273810 -0.519571 0.134 Uiso 1 1 calc R U . . .
C556 C 0.8771(2) 0.2454(2) -0.49569(16) 0.0880(14) Uani 1 1 d . U . . .
C557 C 0.8349(2) 0.26890(19) -0.51359(16) 0.0912(13) Uani 1 1 d . U . . .
C558 C 0.8405(2) 0.3025(2) -0.53459(16) 0.1014(14) Uani 1 1 d . U . . .
H55I H 0.872364 0.310724 -0.538988 0.122 Uiso 1 1 calc R U . . .
C559 C 0.7998(2) 0.3236(2) -0.54889(18) 0.1099(13) Uani 1 1 d . U . . .
H55J H 0.803295 0.345590 -0.564545 0.132 Uiso 1 1 calc R U . . .
C560 C 0.7530(2) 0.3128(2) -0.54053(17) 0.0981(13) Uani 1 1 d . U . . .
C561 C 0.7515(2) 0.27891(19) -0.51906(15) 0.0909(13) Uani 1 1 d . U . . .
H56A H 0.720311 0.269861 -0.513705 0.109 Uiso 1 1 calc R U . . .
C566 C 0.55381(19) 0.41532(17) -0.59160(12) 0.0978(15) Uani 1 1 d D U . . .
O04E O 0.6336(6) 0.3016(5) -0.5237(4) 0.1025(19) Uiso 0.25 1 d D U P F 1
O4EE O 0.6438(3) 0.2832(3) -0.5428(2) 0.1110(16) Uiso 0.5 1 d D U P F 1
C62E C 0.6649(4) 0.3185(4) -0.5514(3) 0.1025(18) Uiso 0.5 1 d D U P F 1
N12E N 0.7089(4) 0.3376(3) -0.5489(3) 0.0936(16) Uiso 0.5 1 d . U P F 1
H12H H 0.708629 0.363913 -0.552599 0.112 Uiso 0.5 1 calc R U P G 1
C67E C 0.5452(4) 0.3759(3) -0.59468(19) 0.111(2) Uiso 0.430(4) 1 d D U P F 1
H67A H 0.516639 0.369124 -0.605756 0.133 Uiso 0.430(4) 1 calc R U P F 1
C64E C 0.6294(3) 0.3958(3) -0.56270(13) 0.100(2) Uiso 0.430(4) 1 d D U P F 1
H64A H 0.657937 0.403150 -0.552013 0.120 Uiso 0.430(4) 1 calc R U P F 1
C65E C 0.5950(3) 0.4263(4) -0.57598(18) 0.110(2) Uiso 0.430(4) 1 d D U P F 1
H65C H 0.599694 0.454098 -0.574291 0.132 Uiso 0.430(4) 1 calc R U P F 1
C63E C 0.6234(3) 0.3554(3) -0.56462(13) 0.108(2) Uiso 0.430(4) 1 d D U P F 1
C68E C 0.5804(4) 0.3454(4) -0.5807(2) 0.111(2) Uiso 0.430(4) 1 d D U P F 1
H68C H 0.575165 0.317603 -0.582079 0.133 Uiso 0.430(4) 1 calc R U P F 1
O504 O 0.7324(6) 0.4009(5) -0.5450(4) 0.104(3) Uiso 0.25 1 d . U P F 2
C562 C 0.7053(5) 0.3715(4) -0.5626(4) 0.1032(18) Uiso 0.5 1 d . U P F 2
N512 N 0.7076(4) 0.3295(3) -0.5579(3) 0.0948(16) Uiso 0.5 1 d . U P F 2
H51H H 0.684716 0.314900 -0.564468 0.114 Uiso 0.5 1 calc R U P H 2
C567 C 0.5740(3) 0.3769(3) -0.5992(3) 0.1208(17) Uani 0.570(4) 1 d D U P F 2
H56B H 0.557236 0.360522 -0.613566 0.145 Uiso 0.570(4) 1 calc R U P F 2
C563 C 0.6508(3) 0.3892(3) -0.5755(3) 0.1150(16) Uani 0.570(4) 1 d D U P F 2
C564 C 0.6349(3) 0.4305(3) -0.5710(3) 0.1165(16) Uani 0.570(4) 1 d D U P F 2
H56C H 0.656285 0.448886 -0.563352 0.140 Uiso 0.570(4) 1 calc R U P F 2
C565 C 0.5857(3) 0.4428(3) -0.5786(3) 0.1244(17) Uani 0.570(4) 1 d D U P F 2
H56D H 0.572612 0.470324 -0.575052 0.149 Uiso 0.570(4) 1 calc R U P F 2
C568 C 0.6207(3) 0.3616(3) -0.5855(3) 0.1136(16) Uani 0.570(4) 1 d D U P F 2
H56E H 0.630662 0.333128 -0.583306 0.136 Uiso 0.5702 1 calc R U P F 2
N601 N 0.71142(17) -0.21031(14) -0.75987(12) 0.0822(8) Uani 1 1 d . U . . .
C601 C 0.7470(2) -0.24111(18) -0.74891(15) 0.0844(9) Uani 1 1 d . U . . .
H60A H 0.780574 -0.240290 -0.755906 0.101 Uiso 1 1 calc R U . . .
C602 C 0.7347(2) -0.27296(18) -0.72808(15) 0.0850(10) Uani 1 1 d . U . . .
H60B H 0.759679 -0.293456 -0.720401 0.102 Uiso 1 1 calc R U . . .
C603 C 0.6880(2) -0.27465(19) -0.71895(16) 0.0895(9) Uani 1 1 d . U . . .
H60C H 0.679812 -0.296900 -0.704932 0.107 Uiso 1 1 calc R U . . .
C604 C 0.6488(2) -0.24372(18) -0.72956(15) 0.0880(9) Uani 1 1 d . U . . .
H60D H 0.615072 -0.244844 -0.722933 0.106 Uiso 1 1 calc R U . . .
C605 C 0.6640(2) -0.21209(18) -0.75025(15) 0.0844(9) Uani 1 1 d . U . . .
N602 N 0.64680(17) -0.14961(15) -0.77951(12) 0.0859(8) Uiso 1 1 d . U . . .
N603 N 0.5337(3) -0.0790(2) -0.79877(18) 0.0880(8) Uani 0.6667 1 d . U P I 1
H60H H 0.549670 -0.057667 -0.802458 0.106 Uiso 0.6667 1 calc R U P I 1
C606 C 0.6240(3) -0.1774(3) -0.7593(2) 0.0849(9) Uani 0.6667 1 d . U P I 1
C607 C 0.5749(3) -0.1762(3) -0.7527(2) 0.0882(8) Uani 0.6667 1 d . U P I 1
H60E H 0.562851 -0.196171 -0.737741 0.106 Uiso 0.6667 1 calc R U P I 1
C608 C 0.5413(3) -0.1454(3) -0.7679(2) 0.0869(8) Uani 0.6667 1 d . U P I 1
H60F H 0.506599 -0.146461 -0.767265 0.104 Uiso 0.6667 1 calc R U P I 1
C609 C 0.5621(3) -0.1143(3) -0.7835(2) 0.0867(8) Uani 0.6667 1 d . U P I 1
C610 C 0.6125(3) -0.1160(3) -0.7899(2) 0.0859(8) Uani 0.6667 1 d . U P I 1
H61B H 0.624760 -0.093720 -0.801885 0.103 Uiso 0.6667 1 calc R U P I 1
C612 C 0.4642(2) -0.0347(2) -0.82176(18) 0.0861(8) Uani 0.6667 1 d D U P I 1
C613 C 0.4854(3) 0.00093(16) -0.81970(19) 0.0884(9) Uani 0.6667 1 d D U P I 1
H61C H 0.512735 0.001464 -0.805092 0.106 Uiso 0.6667 1 calc R U P I 1
C614 C 0.4685(2) 0.03587(19) -0.83807(17) 0.0888(9) Uani 0.6667 1 d D U P I 1
H61D H 0.482617 0.060548 -0.836191 0.107 Uiso 0.6667 1 calc R U P I 1
C616 C 0.4083(3) -0.00233(17) -0.86465(19) 0.0896(10) Uani 0.6667 1 d D U P I 1
H61E H 0.382239 -0.003403 -0.880244 0.107 Uiso 0.6667 1 calc R U P I 1
C617 C 0.4273(2) -0.0359(2) -0.84581(17) 0.0901(9) Uani 0.6667 1 d D U P I 1
H61F H 0.414785 -0.061003 -0.849297 0.108 Uiso 0.6667 1 calc R U P I 1
N03F N 0.5395(5) -0.0877(4) -0.8158(4) 0.0869(9) Uiso 0.3333 1 d . U P I 2
H03A H 0.553172 -0.075493 -0.833386 0.104 Uiso 0.3333 1 calc R U P I 2
C06F C 0.6333(7) -0.1844(6) -0.7709(5) 0.0853(10) Uiso 0.3333 1 d . U P I 2
C07F C 0.5788(6) -0.1891(6) -0.7703(5) 0.0865(10) Uiso 0.3333 1 d . U P I 2
H07A H 0.565305 -0.211619 -0.759771 0.104 Uiso 0.3333 1 calc R U P I 2
C08F C 0.5484(7) -0.1546(6) -0.7879(5) 0.0866(9) Uiso 0.3333 1 d . U P I 2
H08A H 0.514643 -0.156075 -0.792819 0.104 Uiso 0.3333 1 calc R U P I 2
C09F C 0.5708(7) -0.1208(6) -0.7967(5) 0.0866(9) Uiso 0.3333 1 d . U P I 2
C10F C 0.6203(7) -0.1211(6) -0.8010(5) 0.0855(9) Uiso 0.3333 1 d . U P I 2
H10M H 0.635362 -0.103759 -0.816854 0.103 Uiso 0.3333 1 calc R U P I 2
C12F C 0.4728(5) -0.0406(3) -0.83171(17) 0.0856(10) Uiso 0.3333 1 d D U P I 2
C13F C 0.4465(4) -0.0141(2) -0.8089(2) 0.0864(11) Uiso 0.3333 1 d D U P I 2
H13J H 0.445866 -0.018192 -0.784584 0.104 Uiso 0.3333 1 calc R U P I 2
C14F C 0.4210(4) 0.0194(3) -0.82595(17) 0.0862(11) Uiso 0.3333 1 d D U P I 2
H14H H 0.395788 0.035119 -0.812946 0.103 Uiso 0.3333 1 calc R U P I 2
C16F C 0.4440(4) -0.0033(2) -0.8790(2) 0.0864(11) Uiso 0.3333 1 d D U P I 2
H16G H 0.432207 -0.004044 -0.901762 0.104 Uiso 0.3333 1 calc R U P I 2
C17F C 0.4753(4) -0.0375(3) -0.86737(18) 0.0862(11) Uiso 0.3333 1 d D U P I 2
H17B H 0.495270 -0.055875 -0.881872 0.103 Uiso 0.3333 1 calc R U P I 2
C611 C 0.4898(2) -0.07497(18) -0.80743(15) 0.0960(8) Uani 1 1 d . U . . .
O601 O 0.46192(19) -0.09836(16) -0.79544(14) 0.1410(17) Uani 1 1 d . U . . .
C615 C 0.42849(17) 0.03226(13) -0.85989(11) 0.0960(10) Uani 1 1 d D U . . .
N604 N 0.00833(17) -0.00125(16) -0.69832(14) 0.1005(15) Uani 1 1 d . U . . .
N605 N 0.08924(18) 0.01144(15) -0.73661(13) 0.0930(13) Uani 1 1 d . U . . .
N606 N 0.17343(18) 0.04370(15) -0.80283(13) 0.0956(12) Uani 1 1 d . U . . .
H60J H 0.170028 0.044124 -0.825827 0.115 Uiso 0.427(3) 1 d R U P J 2
H60I H 0.200088 0.030044 -0.792826 0.115 Uiso 0.573(3) 1 d R U P J 1
C618 C -0.0278(3) -0.0096(2) -0.6777(2) 0.122(2) Uani 1 1 d . U . . .
H61G H -0.022275 -0.028518 -0.659020 0.146 Uiso 1 1 calc R U . . .
C619 C -0.0771(3) 0.0110(2) -0.6844(2) 0.134(2) Uani 1 1 d . U . . .
H61H H -0.102980 0.008524 -0.667856 0.161 Uiso 1 1 calc R U . . .
C620 C -0.0871(3) 0.0334(2) -0.7134(2) 0.131(2) Uani 1 1 d . U . . .
H62A H -0.120076 0.043349 -0.719242 0.158 Uiso 1 1 calc R U . . .
C621 C -0.0478(3) 0.0412(2) -0.7336(2) 0.1256(19) Uani 1 1 d . U . . .
H62B H -0.052444 0.058552 -0.753387 0.151 Uiso 1 1 calc R U . . .
C622 C 0.0018(2) 0.0225(2) -0.72470(18) 0.1029(17) Uani 1 1 d . U . . .
C623 C 0.0442(2) 0.0290(2) -0.74833(17) 0.0965(15) Uani 1 1 d . U . . .
C624 C 0.0422(3) 0.0529(2) -0.77700(18) 0.1115(16) Uani 1 1 d . U . . .
H62C H 0.011246 0.066213 -0.784359 0.134 Uiso 1 1 calc R U . . .
C625 C 0.0844(2) 0.0580(2) -0.79544(17) 0.1011(14) Uani 1 1 d . U . . .
H62D H 0.082967 0.074307 -0.815939 0.121 Uiso 1 1 calc R U . . .
C626 C 0.1281(2) 0.03984(19) -0.78449(16) 0.0884(14) Uani 1 1 d . U . . .
C627 C 0.1290(2) 0.01612(19) -0.75588(16) 0.0910(14) Uani 1 1 d . U . . .
H62E H 0.159854 0.002009 -0.749172 0.109 Uiso 1 1 calc R U . . .
C632 C 0.3325(2) 0.0693(2) -0.86502(16) 0.1082(16) Uani 1 1 d D U . . .
O62' O 0.1416(5) 0.0698(5) -0.8590(4) 0.1042(19) Uiso 0.2867(16) 1 d . U P I 1
O602 O 0.1473(5) 0.0899(5) -0.8419(4) 0.1052(19) Uiso 0.2867(16) 1 d . U P I 1
C628 C 0.1837(3) 0.0625(4) -0.8298(3) 0.0989(17) Uani 0.573(3) 1 d D U P I 1
C630 C 0.2759(3) 0.0670(3) -0.8174(2) 0.1095(18) Uani 0.573(3) 1 d D U P I 1
H63A H 0.268178 0.062892 -0.793656 0.131 Uiso 0.573(3) 1 calc R U P J 1
C634 C 0.2486(3) 0.0656(4) -0.8774(2) 0.1108(19) Uani 0.573(3) 1 d D U P I 1
H63B H 0.222828 0.064291 -0.893175 0.133 Uiso 0.573(3) 1 calc R U P J 1
C629 C 0.2410(3) 0.0630(4) -0.8435(2) 0.0941(18) Uani 0.573(3) 1 d D U P I 1
C631 C 0.3231(3) 0.0774(3) -0.8291(2) 0.1031(19) Uani 0.573(3) 1 d D U P I 1
H63C H 0.345658 0.088389 -0.814800 0.124 Uiso 0.573(3) 1 calc R U P J 1
C633 C 0.2949(3) 0.0701(4) -0.8879(3) 0.111(2) Uani 0.573(3) 1 d D U P I 1
H63D H 0.301892 0.074008 -0.911748 0.133 Uiso 0.573(3) 1 calc R U P J 1
C28F C 0.2114(5) 0.0489(5) -0.7946(3) 0.1039(19) Uiso 0.427(3) 1 d D U P I 2
O02F O 0.2314(5) 0.0259(4) -0.7612(3) 0.141(3) Uiso 0.427(3) 1 d . U P I 2
C29F C 0.2365(5) 0.0638(5) -0.8325(3) 0.102(2) Uiso 0.427(3) 1 d D U P I 2
C33F C 0.3129(5) 0.0241(5) -0.8634(4) 0.095(2) Uiso 0.427(3) 1 d . U P I 2
H33J H 0.331202 -0.000359 -0.871267 0.114 Uiso 0.427(3) 1 calc R U P J 2
C30F C 0.2626(6) 0.0981(5) -0.8452(4) 0.102(2) Uiso 0.427(3) 1 d . U P I 2
H30L H 0.243778 0.123956 -0.848395 0.123 Uiso 0.427(3) 1 calc R U P J 2
C31F C 0.3124(5) 0.0946(5) -0.8528(4) 0.097(2) Uiso 0.427(3) 1 d . U P I 2
H31M H 0.330060 0.116247 -0.846540 0.116 Uiso 0.427(3) 1 calc R U P J 2
C34F C 0.2612(5) 0.0276(5) -0.8475(4) 0.096(2) Uiso 0.427(3) 1 d . U P I 2
H34H H 0.244020 0.004227 -0.847391 0.115 Uiso 0.427(3) 1 calc R U P J 2
C635 C 0.1225(3) 0.4078(3) -1.0820(2) 0.071(2) Uiso 0.5 1 d D U P S 1
H63E H 0.091169 0.419070 -1.073066 0.085 Uiso 0.5 1 calc R U P S 1
C636 C 0.1424(3) 0.4240(3) -1.1123(2) 0.076(2) Uiso 0.5 1 d D U P S 1
H63F H 0.122314 0.442926 -1.126276 0.092 Uiso 0.5 1 calc R U P S 1
C637 C 0.1912(3) 0.4124(3) -1.1218(2) 0.060(2) Uiso 0.5 1 d D U P S 1
H63G H 0.205609 0.424761 -1.141316 0.072 Uiso 0.5 1 calc R U P S 1
C638 C 0.2196(3) 0.3824(3) -1.1023(2) 0.076(2) Uiso 0.5 1 d D U P S 1
H63H H 0.253396 0.374409 -1.108200 0.091 Uiso 0.5 1 calc R U P S 1
C639 C 0.1977(3) 0.3650(3) -1.0750(2) 0.0469(17) Uiso 0.5 1 d D U P S 1
C640 C 0.2229(3) 0.3331(3) -1.0524(2) 0.066(2) Uiso 0.5 1 d D U P S 1
C641 C 0.2702(3) 0.3182(3) -1.0589(2) 0.070(2) Uiso 0.5 1 d D U P S 1
H64B H 0.287907 0.328527 -1.077949 0.085 Uiso 0.5 1 calc R U P S 1
C642 C 0.2938(4) 0.2870(3) -1.0372(2) 0.081(2) Uiso 0.5 1 d D U P S 1
H64C H 0.327608 0.276912 -1.041105 0.097 Uiso 0.5 1 calc R U P S 1
C643 C 0.2671(3) 0.2718(3) -1.0108(3) 0.077(2) Uiso 0.5 1 d D U P S 1
C644 C 0.2185(3) 0.2880(3) -1.0048(2) 0.073(2) Uiso 0.5 1 d D U P S 1
H64D H 0.200629 0.277249 -0.986083 0.087 Uiso 0.5 1 calc R U P S 1
N607 N 0.1489(3) 0.3753(2) -1.06534(19) 0.0695(15) Uani 0.5 1 d D U P S 1
N608 N 0.1945(3) 0.3190(3) -1.0247(2) 0.0755(19) Uiso 0.5 1 d D U P S 1
C35F C 0.1425(3) 0.3987(3) -1.0919(2) 0.076(2) Uiso 0.5 1 d D U P S 2
H35I H 0.107753 0.403792 -1.087770 0.092 Uiso 0.5 1 calc R U P S 2
C36F C 0.1664(3) 0.4204(3) -1.1175(2) 0.066(2) Uiso 0.5 1 d D U P S 2
H36G H 0.148842 0.443301 -1.128689 0.079 Uiso 0.5 1 calc R U P S 2
C39F C 0.2173(3) 0.3587(3) -1.0807(2) 0.072(2) Uiso 0.5 1 d D U P S 2
C37F C 0.2141(3) 0.4089(3) -1.1263(3) 0.077(2) Uiso 0.5 1 d D U P S 2
H37A H 0.229715 0.422899 -1.144418 0.093 Uiso 0.5 1 calc R U P S 2
C38F C 0.2412(3) 0.3756(3) -1.1085(2) 0.075(2) Uiso 0.5 1 d D U P S 2
H38A H 0.274098 0.365531 -1.115358 0.090 Uiso 0.5 1 calc R U P S 2
C40F C 0.2429(4) 0.3272(3) -1.0573(3) 0.0659(19) Uiso 0.5 1 d . U P S 2
C42F C 0.3156(4) 0.2801(4) -1.0398(3) 0.084(2) Uiso 0.5 1 d . U P S 2
H42G H 0.349560 0.269549 -1.041774 0.101 Uiso 0.5 1 calc R U P S 2
C43F C 0.2845(4) 0.2695(4) -1.0170(3) 0.076(2) Uiso 0.5 1 d . U P S 2
C44F C 0.2413(4) 0.2836(3) -1.0118(3) 0.076(2) Uiso 0.5 1 d . U P S 2
H44G H 0.223808 0.272621 -0.992903 0.092 Uiso 0.5 1 calc R U P S 2
C41F C 0.2886(4) 0.3126(4) -1.0632(3) 0.081(2) Uiso 0.5 1 d . U P S 2
H41K H 0.305863 0.322456 -1.082680 0.097 Uiso 0.5 1 calc R U P S 2
N07F N 0.1717(3) 0.3696(2) -1.07275(19) 0.0625(18) Uiso 0.5 1 d D U P S 2
N08F N 0.2159(3) 0.3148(3) -1.0317(2) 0.0644(17) Uiso 0.5 1 d . U P S 2
C649 C 0.3655(2) 0.1199(2) -0.91758(17) 0.0989(16) Uani 1 1 d . U . . .
C646 C 0.3241(3) 0.1772(2) -0.95968(19) 0.1124(15) Uani 1 1 d D U . . .
O603 O 0.3410(4) 0.2030(4) -1.0172(3) 0.167(3) Uiso 0.5 1 d . U P S 1
C645 C 0.3134(5) 0.2146(4) -0.9915(3) 0.103(2) Uiso 0.5 1 d D U P S 1
N609 N 0.2863(3) 0.2404(3) -0.9868(3) 0.090(2) Uiso 0.5 1 d . U P S 1
H60G H 0.274352 0.242622 -0.965518 0.109 Uiso 0.5 1 calc R U P S 1
C647 C 0.3237(5) 0.1915(4) -0.9309(3) 0.100(2) Uiso 0.5 1 d . U P I 1
H64E H 0.314297 0.219515 -0.926788 0.120 Uiso 0.5 1 calc R U P I 1
C648 C 0.3387(4) 0.1624(4) -0.9035(4) 0.098(3) Uiso 0.5 1 d . U P I 1
H64F H 0.333266 0.167910 -0.879750 0.117 Uiso 0.5 1 calc R U P I 1
C650 C 0.3700(5) 0.1115(5) -0.9510(4) 0.111(3) Uiso 0.5 1 d . U P I 1
H65D H 0.383497 0.085736 -0.959369 0.134 Uiso 0.5 1 calc R U P I 1
C651 C 0.3531(4) 0.1444(4) -0.9724(4) 0.098(2) Uiso 0.5 1 d . U P I 1
H65E H 0.361896 0.143756 -0.996239 0.117 Uiso 0.5 1 calc R U P I 1
N09F N 0.3061(4) 0.2385(3) -0.9942(3) 0.088(2) Uiso 0.5 1 d . U P S 2
H09B H 0.337445 0.237599 -0.989041 0.106 Uiso 0.5 1 calc R U P S 2
C45F C 0.2747(4) 0.2063(4) -0.9784(3) 0.107(2) Uiso 0.5 1 d D U P S 2
O3F O 0.2259(4) 0.2051(3) -0.9693(3) 0.144(3) Uiso 0.5 1 d . U P S 2
C47F C 0.3523(4) 0.1839(4) -0.9401(3) 0.087(2) Uiso 0.5 1 d . U P I 2
H47C H 0.359394 0.211186 -0.938572 0.105 Uiso 0.5 1 calc R U P I 2
C48F C 0.3767(5) 0.1551(4) -0.9184(3) 0.100(3) Uiso 0.5 1 d . U P I 2
H48A H 0.402033 0.162136 -0.904181 0.120 Uiso 0.5 1 calc R U P I 2
C50F C 0.3355(5) 0.1037(5) -0.9369(4) 0.113(3) Uiso 0.5 1 d . U P I 2
H50L H 0.333720 0.075265 -0.937144 0.136 Uiso 0.5 1 calc R U P I 2
C51F C 0.3040(5) 0.1338(4) -0.9587(4) 0.112(3) Uiso 0.5 1 d . U P I 2
H51I H 0.275618 0.127884 -0.970428 0.134 Uiso 0.5 1 calc R U P I 2
C60G C 0.3888(4) 0.0577(4) -0.8779(3) 0.076(3) Uiso 0.5 1 d . . P I .
C61G C 0.4035(4) 0.0835(3) -0.9015(3) 0.068(3) Uiso 0.5 1 d . . P I .
C60H C 0.4175(4) 0.0744(3) -0.8844(3) 0.073(3) Uiso 0.5 1 d . . P I .
C61H C 0.3757(5) 0.0881(4) -0.8866(3) 0.090(4) Uiso 0.5 1 d . . P I .
N610 N 0.78239(17) 0.15661(16) -1.07115(12) 0.0942(17) Uani 1 1 d . . . . .
N611 N 0.70869(17) 0.14641(14) -1.02685(10) 0.0796(14) Uani 1 1 d . . . . .
N612 N 0.62281(17) 0.10388(15) -0.96622(11) 0.0839(15) Uani 1 1 d . . . . .
H61J H 0.596498 0.121444 -0.972343 0.101 Uiso 0.4 1 d R U P K 2
H61I H 0.621778 0.079174 -0.956243 0.101 Uiso 0.6 1 d R U P L 1
C652 C 0.8183(3) 0.1661(2) -1.09376(17) 0.117(3) Uani 1 1 d . . . . .
H65F H 0.812573 0.188616 -1.109413 0.140 Uiso 1 1 calc R U . . .
C653 C 0.8666(3) 0.1406(3) -1.0933(3) 0.166(4) Uani 1 1 d . . . . .
H65G H 0.892353 0.145642 -1.109296 0.199 Uiso 1 1 calc R U . . .
C654 C 0.8733(4) 0.1104(3) -1.0702(3) 0.209(5) Uani 1 1 d . . . . .
H65H H 0.904247 0.093846 -1.069273 0.251 Uiso 1 1 calc R U . . .
C655 C 0.8353(3) 0.1030(3) -1.0474(2) 0.154(4) Uani 1 1 d . . . . .
H65I H 0.840477 0.081573 -1.030641 0.185 Uiso 1 1 calc R U . . .
C656 C 0.7904(3) 0.1264(2) -1.04876(18) 0.106(2) Uani 1 1 d . . . . .
C657 C 0.7487(2) 0.11915(18) -1.02420(15) 0.0821(19) Uani 1 1 d . . . . .
C658 C 0.7493(2) 0.0853(2) -1.00404(17) 0.103(2) Uani 1 1 d . . . . .
H65J H 0.777348 0.065263 -1.004129 0.123 Uiso 1 1 calc R U . . .
C659 C 0.7071(2) 0.0805(2) -0.98267(18) 0.107(2) Uani 1 1 d . . . . .
H65K H 0.707187 0.057921 -0.967052 0.128 Uiso 1 1 calc R U . . .
C660 C 0.6664(2) 0.10879(18) -0.98498(14) 0.0846(18) Uani 1 1 d . . . . .
C661 C 0.6694(2) 0.14150(16) -1.00644(13) 0.0760(17) Uani 1 1 d . . . . .
H66C H 0.641936 0.162104 -1.006945 0.091 Uiso 1 1 calc R U . . .
C666 C 0.45949(19) 0.08533(17) -0.90704(13) 0.0847(18) Uani 1 1 d D . . . .
O604 O 0.5907(6) 0.1623(5) -0.9663(4) 0.070(5) Uiso 0.2 1 d . . P I 1
O64' O 0.5700(4) 0.1684(4) -0.9751(3) 0.118(4) Uiso 0.4 1 d . . P I 1
C662 C 0.5880(5) 0.1267(4) -0.9610(3) 0.120(5) Uani 0.6 1 d . . P I 1
C663 C 0.5399(3) 0.1112(2) -0.9415(3) 0.094(4) Uani 0.6 1 d D . P I 1
C664 C 0.5103(4) 0.1376(3) -0.9206(3) 0.123(5) Uani 0.6 1 d D . P I 1
H66D H 0.516539 0.165074 -0.919223 0.148 Uiso 0.6 1 calc R U P I 1
C665 C 0.4730(3) 0.1245(3) -0.9025(2) 0.098(4) Uani 0.6 1 d D . P I 1
H66E H 0.455167 0.141975 -0.886242 0.118 Uiso 0.6 1 calc R U P I 1
C667 C 0.4913(3) 0.0559(2) -0.9232(2) 0.083(3) Uani 0.6 1 d D . P I 1
H66F H 0.486099 0.028042 -0.922312 0.099 Uiso 0.6 1 calc R U P I 1
C668 C 0.5326(4) 0.0696(3) -0.9413(3) 0.187(8) Uani 0.6 1 d D . P I 1
H66G H 0.555454 0.050663 -0.953280 0.224 Uiso 0.6 1 calc R U P I 1
C62F C 0.6154(6) 0.0842(5) -0.9441(4) 0.096(5) Uiso 0.4 1 d . . P I 2
O04F O 0.6484(5) 0.0628(5) -0.9222(4) 0.161(5) Uiso 0.4 1 d . . P I 2
C64F C 0.5437(4) 0.0794(6) -0.8940(3) 0.139(7) Uiso 0.4 1 d D . P I 2
H64G H 0.568643 0.075039 -0.877196 0.167 Uiso 0.4 1 calc R U P I 2
C63F C 0.5570(3) 0.0830(4) -0.9290(2) 0.060(3) Uiso 0.4 1 d D . P I 2
C65F C 0.4938(3) 0.0823(4) -0.8837(3) 0.081(4) Uiso 0.4 1 d D . P I 2
H65L H 0.484743 0.081988 -0.859903 0.097 Uiso 0.4 1 calc R U P I 2
C67F C 0.4720(4) 0.0825(4) -0.9426(3) 0.081(4) Uiso 0.4 1 d D . P I 2
H67B H 0.447596 0.079638 -0.959139 0.097 Uiso 0.4 1 calc R U P I 2
C68F C 0.5211(3) 0.0842(4) -0.9526(3) 0.071(4) Uiso 0.4 1 d D . P I 2
H68D H 0.529683 0.086268 -0.976386 0.085 Uiso 0.4 1 calc R U P I 2
B1 B 0.0420(3) -0.4922(3) -0.07683(19) 0.094(3) Uani 1 1 d . . . . .
F13 F 0.0563(2) -0.52119(18) -0.09810(17) 0.207(3) Uani 1 1 d . . . . .
F14 F 0.0538(2) -0.45515(19) -0.09034(13) 0.180(2) Uani 1 1 d . . . . .
F12 F 0.0765(5) -0.5129(5) -0.0539(4) 0.236(6) Uiso 0.5 1 d . . P M 1
F11 F -0.0021(3) -0.5052(3) -0.0699(2) 0.144(3) Uiso 0.5 1 d . . P M 1
F11' F -0.0091(3) -0.4819(3) -0.0716(2) 0.126(3) Uiso 0.5 1 d . . P M 2
F12' F 0.0610(3) -0.4941(3) -0.0446(2) 0.131(3) Uiso 0.5 1 d . . P M 2
B2 B -0.7338(6) -0.1785(3) 0.2147(2) 0.190(5) Uani 1 1 d . . . . .
F21 F -0.7154(3) -0.1399(2) 0.2204(2) 0.115(2) Uiso 0.5 1 d . . P . .
F22 F -0.7578(3) -0.1687(2) 0.18138(19) 0.110(2) Uiso 0.5 1 d . . P . .
F23 F -0.6836(3) -0.2136(3) 0.2068(2) 0.125(3) Uiso 0.5 1 d . . P . .
F24 F -0.7627(2) -0.18704(19) 0.23621(16) 0.0805(17) Uiso 0.5 1 d . . P . .
F25 F -0.7118(5) -0.1630(4) 0.1879(4) 0.215(5) Uiso 0.5 1 d . . P . .
F26 F -0.6954(3) -0.1619(3) 0.2426(2) 0.142(3) Uiso 0.5 1 d . . P . .
F27 F -0.7809(4) -0.1723(3) 0.2249(3) 0.154(3) Uiso 0.5 1 d . . P . .
F28 F -0.7057(3) -0.2166(2) 0.2116(2) 0.111(2) Uiso 0.5 1 d . . P . .
B3 B 0.9222(3) 0.2081(2) 0.63879(18) 0.085(2) Uani 1 1 d . . . . .
F32 F 0.92511(18) 0.2004(2) 0.67125(13) 0.199(3) Uani 1 1 d . . . . .
F33 F 0.96401(13) 0.19748(13) 0.62146(11) 0.1270(15) Uani 1 1 d . . . . .
F34 F 0.88472(13) 0.19085(12) 0.62533(10) 0.1174(13) Uani 1 1 d . . . . .
F31 F 0.9008(3) 0.2477(3) 0.6450(2) 0.134(3) Uiso 0.5 1 d . . P . .
F31' F 0.9122(4) 0.2510(3) 0.6292(3) 0.156(4) Uiso 0.5 1 d . . P . .
B4 B 0.8450(4) -0.6105(3) -0.0620(3) 0.164(3) Uani 1 1 d D U . . .
F41 F 0.8238(4) -0.6346(4) -0.0789(3) 0.197(3) Uiso 0.5 1 d D U P . .
F42 F 0.8377(4) -0.6176(4) -0.0268(3) 0.184(3) Uiso 0.5 1 d D U P . .
F43 F 0.7915(4) -0.6069(4) -0.0606(3) 0.194(3) Uiso 0.5 1 d D U P . .
F44 F 0.8759(4) -0.6315(3) -0.0832(3) 0.161(3) Uiso 0.5 1 d D U P . .
F45 F 0.8585(4) -0.5741(3) -0.0572(3) 0.174(3) Uiso 0.5 1 d D U P . .
F46 F 0.8499(5) -0.5742(4) -0.0722(3) 0.199(3) Uiso 0.5 1 d D U P . .
F47 F 0.8005(4) -0.6010(4) -0.0827(3) 0.208(3) Uiso 0.5 1 d D U P . .
F48 F 0.8593(4) -0.6336(4) -0.0337(3) 0.189(3) Uiso 0.5 1 d D U P . .
B5 B 1.0250(4) 0.7945(6) 1.1594(5) 0.463(9) Uani 1 1 d . . . . .
F51 F 0.9823(4) 0.8112(4) 1.1520(3) 0.189(4) Uiso 0.5 1 d . . P . .
F52 F 0.9905(3) 0.7880(3) 1.1531(2) 0.126(3) Uiso 0.5 1 d . . P . .
F53 F 1.0221(3) 0.7954(2) 1.19792(18) 0.102(2) Uiso 0.5 1 d . . P . .
F54 F 1.0607(3) 0.8275(2) 1.15447(19) 0.104(2) Uiso 0.5 1 d . . P . .
F55 F 0.9998(4) 0.8464(3) 1.1781(3) 0.156(3) Uiso 0.5 1 d . . P . .
F56 F 1.0576(4) 0.8132(4) 1.1413(3) 0.178(4) Uiso 0.5 1 d . . P . .
F57 F 1.0427(3) 0.7793(2) 1.1937(2) 0.111(2) Uiso 0.5 1 d . . P . .
F58 F 1.0342(11) 0.7890(9) 1.1190(8) 0.443(15) Uiso 0.5 1 d . . P . .
B6 B -0.8687(3) -0.7245(3) 0.7159(2) 0.111(3) Uani 1 1 d . . . . .
F61 F -0.8476(2) -0.76893(18) 0.71428(15) 0.0714(16) Uiso 0.5 1 d . . P . .
F62 F -0.8573(4) -0.7579(3) 0.7297(3) 0.169(4) Uiso 0.5 1 d . . P . .
F63 F -0.9132(3) -0.7226(3) 0.7115(2) 0.133(3) Uiso 0.5 1 d . . P . .
F64 F -0.8419(3) -0.7100(2) 0.6894(2) 0.111(2) Uiso 0.5 1 d . . P . .
F65 F -0.8921(3) -0.7169(3) 0.6846(2) 0.130(3) Uiso 0.5 1 d . . P . .
F66 F -0.8426(4) -0.6952(3) 0.7222(3) 0.159(3) Uiso 0.5 1 d . . P . .
F67 F -0.9120(6) -0.7093(5) 0.7369(5) 0.273(7) Uiso 0.5 1 d . . P . .
F68 F -0.8559(3) -0.7117(2) 0.7459(2) 0.117(2) Uiso 0.5 1 d . . P . .
B8 B -0.3605(3) -0.8676(4) 0.5942(3) 0.098(5) Uiso 0.5 1 d D . P . .
F81 F -0.3395(11) -0.8930(8) 0.5670(6) 0.268(14) Uiso 0.25 1 d D . P . .
F82 F -0.3079(4) -0.8774(4) 0.5968(4) 0.100(4) Uiso 0.25 1 d D . P . .
F83 F -0.3264(3) -0.8506(3) 0.6171(2) 0.052(3) Uiso 0.25 1 d D . P . .
F84 F -0.3981(5) -0.8862(4) 0.5791(4) 0.103(4) Uiso 0.25 1 d D . P . .
F85 F -0.3878(8) -0.8418(6) 0.6169(5) 0.195(9) Uiso 0.25 1 d D . P . .
F86 F -0.4141(4) -0.8654(4) 0.5918(3) 0.083(3) Uiso 0.25 1 d D . P . .
F87 F -0.3169(2) -0.8599(2) 0.61339(16) 0.0132(15) Uiso 0.25 1 d D . P . .
F88 F -0.3246(10) -0.8405(9) 0.5849(11) 0.37(2) Uiso 0.25 1 d D . P . .
O10 O 0.6858(3) 0.4558(2) -0.7545(2) 0.092(2) Uiso 0.5 1 d . . P N 1
O11 O 0.7028(6) 0.4635(5) -0.7219(4) 0.218(6) Uiso 0.5 1 d . . P N 1
B12 B -0.5386(6) -0.8175(5) 0.5266(4) 0.096(4) Uiso 0.5 1 d . U P O 2
F121 F -0.4882(5) -0.8216(5) 0.5484(4) 0.244(5) Uiso 0.5 1 d . U P O 2
F122 F -0.5680(8) -0.7898(7) 0.5060(6) 0.363(9) Uiso 0.5 1 d . U P O 2
F123 F -0.5593(7) -0.8356(6) 0.5395(5) 0.311(7) Uiso 0.5 1 d . U P O 2
F124 F -0.4907(5) -0.8157(4) 0.5257(4) 0.224(5) Uiso 0.5 1 d . U P O 2
B13 B 0.7258(9) 0.4674(4) -0.6357(4) 0.30(2) Uiso 0.5 1 d D . P . .
F131 F 0.7209(3) 0.4997(3) -0.6620(2) 0.132(3) Uiso 0.5 1 d D . P . .
F132 F 0.7326(3) 0.4298(3) -0.6131(2) 0.127(3) Uiso 0.5 1 d D . P . .
F133 F 0.7593(9) 0.4550(10) -0.6105(6) 0.248(12) Uiso 0.25 1 d D . P . .
F134 F 0.7217(8) 0.4690(7) -0.6712(4) 0.170(8) Uiso 0.25 1 d D . P . .
F135 F 0.7466(11) 0.4969(8) -0.6561(7) 0.278(15) Uiso 0.25 1 d D . P . .
F136 F 0.7498(12) 0.4290(7) -0.6352(10) 0.303(17) Uiso 0.25 1 d D . P . .
Br1 Br 0.62402(11) 0.00161(9) -0.91167(7) 0.1048(9) Uani 0.25 1 d . U P P 1
Br2 Br 0.61206(18) 0.09845(13) -0.69860(10) 0.1641(15) Uani 0.25 1 d . U P P 1
Br3 Br 0.60977(11) -0.00922(9) -0.76562(7) 0.0993(9) Uani 0.25 1 d . U P P 1
Br4 Br 0.64968(14) 0.25203(10) -0.75290(10) 0.1386(12) Uani 0.25 1 d . U P P 1
O6Y O 0.6060(5) -0.0356(5) -0.8432(4) 0.080(4) Uiso 0.25 1 d . U P P 1
O5Y O 0.6144(6) 0.0749(6) -0.7731(5) 0.1088(16) Uiso 0.25 1 d . U P P 1
O4Y O 0.6067(8) 0.2037(6) -0.7102(5) 0.167(5) Uiso 0.25 1 d D U P P 1
C1Y C 0.6160(9) 0.0018(3) -0.83837(17) 0.1110(18) Uiso 0.25 1 d D U P P 1
C2Y C 0.6218(8) 0.0248(2) -0.8685(2) 0.1085(17) Uiso 0.25 1 d D U P P 1
C3Y C 0.6224(9) 0.0667(2) -0.8668(2) 0.1104(16) Uiso 0.25 1 d D U P P 1
H3YA H 0.625592 0.082419 -0.887349 0.132 Uiso 0.25 1 calc R U P P 1
C4Y C 0.6183(8) 0.0857(3) -0.83510(18) 0.1080(16) Uiso 0.25 1 d D U P P 1
C5Y C 0.6066(8) 0.0635(2) -0.8058(2) 0.1112(16) Uiso 0.25 1 d D U P P 1
C6Y C 0.6133(10) 0.0212(2) -0.8069(2) 0.1110(17) Uiso 0.25 1 d D U P P 1
C7Y C 0.6249(10) 0.1274(9) -0.8335(7) 0.1098(16) Uiso 0.25 1 d . U P P 1
C8Y C 0.6317(7) 0.1470(2) -0.7961(2) 0.1127(16) Uiso 0.25 1 d D U P P 1
C9Y C 0.6227(7) 0.1209(3) -0.76846(18) 0.1089(16) Uiso 0.25 1 d D U P P 1
C10Y C 0.6230(8) 0.1385(2) -0.7361(2) 0.1126(17) Uiso 0.25 1 d D U P P 1
C11Y C 0.6263(5) 0.1798(2) -0.7316(2) 0.1142(18) Uiso 0.25 1 d D U P P 1
C12Y C 0.6494(5) 0.1977(3) -0.75950(18) 0.1127(17) Uiso 0.25 1 d D U P P 1
C13Y C 0.6381(6) 0.1878(2) -0.7927(2) 0.1122(16) Uiso 0.25 1 d D U P P 1
H13K H 0.634934 0.207021 -0.811302 0.135 Uiso 0.25 1 calc R U P P 1
C14Y C 0.6246(3) 0.1575(4) -0.8588(2) 0.1126(16) Uiso 0.25 1 d D U P P 1
C15Y C 0.5850(3) 0.1826(4) -0.8727(2) 0.1127(16) Uiso 0.25 1 d D U P P 1
C16Y C 0.5934(3) 0.2013(4) -0.9045(2) 0.1129(18) Uiso 0.25 1 d D U P P 1
H16H H 0.566196 0.215916 -0.916028 0.136 Uiso 0.25 1 calc R U P P 1
C17Y C 0.6405(3) 0.1993(3) -0.9198(3) 0.1127(18) Uiso 0.25 1 d D U P P 1
H17C H 0.647750 0.217663 -0.937964 0.135 Uiso 0.25 1 calc R U P P 1
C18Y C 0.6765(3) 0.1695(3) -0.9077(2) 0.1112(17) Uiso 0.25 1 d D U P P 1
H18B H 0.706472 0.163376 -0.920632 0.133 Uiso 0.25 1 calc R U P P 1
C19Y C 0.6694(3) 0.1485(4) -0.8767(2) 0.1110(16) Uiso 0.25 1 d D U P P 1
H19B H 0.694444 0.128600 -0.868150 0.133 Uiso 0.25 1 calc R U P P 1
O2YY O 0.5367(6) 0.1563(5) -0.8315(4) 0.139(4) Uiso 0.25 1 d D U P P 1
O1YY O 0.4772(4) 0.1861(6) -0.8520(5) 0.115(4) Uiso 0.25 1 d D U P P 1
C1YY C 0.5300(3) 0.1807(6) -0.8586(4) 0.1135(16) Uiso 0.25 1 d D U P P 1
O7Z O -0.6344(3) -0.1963(3) -0.2290(2) 0.108(3) Uiso 0.5 1 d . . P Q 2
O2Z O 0.6085(4) -0.0178(4) -0.8009(3) 0.158(4) Uiso 0.5 1 d . . P R 2
C853 C 0.4678(3) 0.1356(2) -0.80006(18) 0.0336(18) Uiso 0.5 1 d D . P S 2
C852 C 0.4057(5) 0.1629(4) -0.8114(4) 0.104(4) Uiso 0.5 1 d . . P S 2
O850 O 0.4369(9) 0.1282(8) -0.7872(6) 0.323(11) Uiso 0.5 1 d . . P S 2
C851 C 0.3773(4) 0.1828(4) -0.8200(3) 0.079(3) Uiso 0.5 1 d . . P S 2
C854 C 0.4682(3) 0.1781(2) -0.84002(18) 0.0306(17) Uiso 0.5 1 d D . P T 2
N760 N -0.8284(3) 0.1956(3) -0.0797(2) 0.085(3) Uiso 0.5 1 d . . P U 1
O760 O -0.8255(3) 0.2380(2) -0.12562(19) 0.085(2) Uiso 0.5 1 d . . P U 1
C761 C -0.8191(6) 0.1880(5) -0.0419(4) 0.137(6) Uiso 0.5 1 d . . P U 1
C762 C -0.8514(6) 0.1671(5) -0.0969(4) 0.127(5) Uiso 0.5 1 d . . P U 1
C763 C -0.8162(5) 0.2328(4) -0.0936(4) 0.105(4) Uiso 0.5 1 d . . P U 1
O700 O 0.1241(3) 0.1197(3) -0.7332(2) 0.110(3) Uiso 0.5 1 d D . P V 1
C701 C 0.1783(5) 0.1803(5) -0.8006(4) 0.163(7) Uiso 0.5 1 d D . P V 1
N700 N 0.1340(5) 0.1572(4) -0.7788(3) 0.173(6) Uiso 0.5 1 d D . P V 1
C703 C 0.1569(4) 0.1318(4) -0.7525(3) 0.105(4) Uiso 0.5 1 d D . P V 1
C702 C 0.0864(2) 0.17913(18) -0.79040(15) 0.1190(19) Uiso 0.5 1 d D . P V 1
O33W O 0.0864(2) 0.17913(18) -0.79040(15) 0.1190(19) Uiso 0.5 1 d . . P V 1
O1W O 0.1690(4) 0.1064(3) -0.7214(3) 0.135(3) Uiso 0.5 1 d . . P W 2
O720 O 0.3436(3) 0.6211(3) -0.6718(2) 0.118(3) Uiso 0.5 1 d D . P . .
N720 N 0.4225(4) 0.6158(3) -0.6957(3) 0.131(4) Uiso 0.5 1 d D . P . .
C721 C 0.4652(6) 0.6443(6) -0.7018(6) 0.231(11) Uiso 0.5 1 d D . P . .
C722 C 0.4313(7) 0.5763(4) -0.7151(5) 0.182(8) Uiso 0.5 1 d D . P . .
C723 C 0.3811(5) 0.6359(5) -0.6777(4) 0.161(7) Uiso 0.5 1 d D . P . .
C732 C 0.7021(4) 0.0707(4) -0.6890(3) 0.092(4) Uiso 0.5 1 d . U P X 2
C731 C 0.7866(4) 0.0303(4) -0.6948(3) 0.095(4) Uiso 0.5 1 d . U P X 2
O730 O 0.7168(4) 0.0003(3) -0.7579(3) 0.140(4) Uiso 0.5 1 d . U P X 2
C733 C 0.7164(7) 0.0246(7) -0.7344(6) 0.173(6) Uiso 0.5 1 d . U P X 2
N730 N 0.7289(4) 0.0416(4) -0.7068(3) 0.126(4) Uiso 0.5 1 d . U P X 2
O3W O 0.7506(4) -0.0035(4) -0.7545(3) 0.144(4) Uiso 0.5 1 d . . P X 2
O770 O 1.0549(4) 0.1393(3) -0.4713(3) 0.143(4) Uiso 0.5 1 d D . P . .
N770 N 1.0779(7) 0.1144(6) -0.5115(6) 0.45(2) Uiso 0.5 1 d D . P . .
C771 C 1.0353(6) 0.0863(5) -0.5075(5) 0.179(8) Uiso 0.5 1 d D . P . .
C772 C 1.1185(5) 0.1003(5) -0.4835(4) 0.160(7) Uiso 0.5 1 d D . P . .
C773 C 1.0548(7) 0.1587(4) -0.5013(4) 0.174(8) Uiso 0.5 1 d D . P . .
O780 O 0.5790(7) 0.5375(7) -0.7882(6) 0.188(10) Uiso 0.25 1 d D . P Y 2
O781 O 0.5647(7) 0.5769(9) -0.7962(8) 0.205(12) Uiso 0.25 1 d D . P Y 2
N780 N 0.6598(4) 0.5344(3) -0.8074(3) 0.131(4) Uiso 0.5 1 d D . P Y 2
C781 C 0.6700(5) 0.4953(3) -0.7898(3) 0.100(4) Uiso 0.5 1 d D . P Y 2
C782 C 0.6866(5) 0.5594(5) -0.8299(4) 0.139(6) Uiso 0.5 1 d D . P Y 2
C783 C 0.6048(5) 0.5605(5) -0.8031(5) 0.195(9) Uiso 0.5 1 d D . P Y 2
N790 N 0.0029(3) 0.3348(2) -0.2121(2) 0.066(2) Uiso 0.5 1 d D . P . .
O790 O 0.0074(5) 0.3820(4) -0.2541(4) 0.210(6) Uiso 0.5 1 d D . P . .
C791 C -0.0481(5) 0.3574(5) -0.2059(4) 0.142(6) Uiso 0.5 1 d D . P . .
C792 C 0.0254(5) 0.2982(4) -0.1976(4) 0.116(5) Uiso 0.5 1 d D . P . .
C793 C 0.0285(5) 0.3532(4) -0.2408(4) 0.141(6) Uiso 0.5 1 d D . P . .
N810 N -0.8065(4) -0.3659(4) -0.1638(3) 0.142(5) Uiso 0.5 1 d D . P Z 1
O810 O -0.8280(3) -0.3959(3) -0.2097(2) 0.118(3) Uiso 0.5 1 d D . P Z 1
C812 C -0.7667(5) -0.3537(5) -0.1394(4) 0.144(6) Uiso 0.5 1 d D . P Z 1
C811 C -0.8602(5) -0.3561(7) -0.1517(5) 0.199(9) Uiso 0.5 1 d D . P Z 1
C813 C -0.7934(4) -0.3898(4) -0.1931(3) 0.115(5) Uiso 0.5 1 d D . P Z 1
O820 O 0.9297(7) -0.1487(4) -0.6560(8) 0.388(14) Uiso 0.5 1 d D . P . .
C821 C 0.9419(4) -0.1849(5) -0.6775(3) 0.116(5) Uiso 0.5 1 d D . P . .
C822 C 0.8974(5) -0.1811(5) -0.6536(4) 0.170(7) Uiso 0.5 1 d D . P . .
C823 C 0.9217(7) -0.1039(4) -0.6559(3) 0.160(7) Uiso 0.5 1 d D . P . .
C824 C 0.9251(4) -0.0992(4) -0.6930(2) 0.084(3) Uiso 0.5 1 d D . P . .
C832 C -0.9758(5) -0.6129(5) -0.1346(4) 0.100(4) Uiso 0.5 1 d . . P A 2
O830 O -1.0008(3) -0.5947(2) -0.1285(2) 0.088(2) Uiso 0.5 1 d . . P A 2
C831 C -0.9623(5) -0.6231(5) -0.1338(4) 0.104(4) Uiso 0.5 1 d . . P A 2
C833 C -1.0353(5) -0.5759(5) -0.1234(4) 0.108(4) Uiso 0.5 1 d . . P A 2
C834 C -1.0511(5) -0.5587(4) -0.1192(3) 0.097(4) Uiso 0.5 1 d . . P A 2
O870 O 0.3867(4) 0.4586(4) -0.4352(3) 0.184(5) Uiso 0.5 1 d D U P B 2
C872 C 0.3747(8) 0.3844(6) -0.3978(5) 0.224(8) Uiso 0.5 1 d D U P B 2
C871 C 0.3161(7) 0.4051(6) -0.4527(4) 0.215(8) Uiso 0.5 1 d D U P B 2
N870 N 0.3499(5) 0.4169(4) -0.4204(3) 0.154(4) Uiso 0.5 1 d D U P B 2
C873 C 0.3409(4) 0.4599(3) -0.4230(3) 0.100(4) Uiso 0.5 1 d D U P B 2
O4W O 0.3276(3) 0.4434(3) -0.4381(3) 0.119(3) Uiso 0.5 1 d . . P C 1
N960 N 0.3145(4) -0.0469(3) -0.7729(3) 0.122(4) Uiso 0.5 1 d D . P D 1
O960 O 0.3661(6) -0.0056(8) -0.7536(7) 0.189(10) Uiso 0.25 1 d D . P D 1
O961 O 0.2275(4) -0.0377(4) -0.7834(3) 0.067(4) Uiso 0.25 1 d D . P D 1
C961 C 0.2660(4) -0.0597(4) -0.7849(4) 0.124(5) Uiso 0.5 1 d D . P D 1
C962 C 0.3579(7) -0.0812(6) -0.7699(7) 0.248(12) Uiso 0.5 1 d D . P D 1
C963 C 0.3233(4) -0.0084(3) -0.7595(3) 0.103(4) Uiso 0.5 1 d D . P D 1
O900 O 0.2748(4) 0.4805(4) -0.8264(3) 0.155(4) Uiso 0.5 1 d . . P E 1
C901 C 0.2587(5) 0.5432(4) -0.8787(4) 0.111(4) Uiso 0.5 1 d . . P E 1
C902 C 0.2646(7) 0.5092(6) -0.8501(5) 0.164(7) Uiso 0.5 1 d . . P E 1
C903 C 0.2513(9) 0.4387(8) -0.8275(6) 0.203(9) Uiso 0.5 1 d . . P E 1
C904 C 0.2113(10) 0.4225(9) -0.8412(7) 0.236(11) Uiso 0.5 1 d . . P E 1
C861 C 0.4179(2) 0.3397(2) -1.01421(17) 0.144(2) Uiso 0.5 1 d D U P F 1
O861 O 0.4179(2) 0.3397(2) -1.01421(17) 0.144(2) Uiso 0.5 1 d . U P F 1
O860 O 0.3907(4) 0.3154(3) -0.9737(3) 0.152(3) Uiso 0.5 1 d D U P F 1
C864 C 0.4303(7) 0.2700(6) -0.9206(3) 0.166(6) Uiso 0.5 1 d D U P F 1
C863 C 0.4281(6) 0.2876(5) -0.9562(3) 0.169(4) Uiso 0.5 1 d D U P F 1
C862 C 0.3680(5) 0.3503(5) -0.9959(4) 0.173(4) Uiso 0.5 1 d D U P F 1
O910 O 0.2488(5) 0.5233(5) -0.7237(4) 0.195(5) Uiso 0.5 1 d . . P . .
C911 C 0.3002(5) 0.5416(5) -0.7711(4) 0.117(5) Uiso 0.5 1 d . . P . .
C912 C 0.29543(11) 0.52795(10) -0.73723(8) 0.0428(8) Uiso 0.5 1 d . . P . .
C913 C 0.2271(4) 0.4996(4) -0.6872(3) 0.087(3) Uiso 0.5 1 d . . P . .
C914 C 0.2034(4) 0.4809(3) -0.6575(3) 0.073(3) Uiso 0.5 1 d . . P . .
O30W O 0.2057(4) 0.5212(4) -0.7084(3) 0.150(4) Uiso 0.5 1 d . . P . .
O31W O 0.1490(5) 0.4767(5) -0.6433(4) 0.199(6) Uiso 0.5 1 d . . P . .
O1G O 0.29543(11) 0.52795(10) -0.73723(8) 0.0428(8) Uiso 0.5 1 d . . P . .
O8G O 0.2911(2) 0.5796(2) -0.83209(17) 0.0714(19) Uiso 0.5 1 d . . P . .
O3G O -0.4625(2) -1.03338(14) 0.02366(12) 0.1261(18) Uani 1 1 d . . . . .
O4G O 0.60909(15) -0.07640(13) -0.26050(11) 0.1029(14) Uani 1 1 d . . . . .
O5G O 0.54921(18) -0.46207(16) -0.25524(12) 0.1237(18) Uani 1 1 d . . . . .
O6G O 0.27996(17) 0.22391(16) -0.83266(14) 0.1345(19) Uani 1 1 d . . . . .
O7G O 0.4943(2) -0.0007(2) -0.51026(11) 0.130(2) Uani 1 1 d . . . . .
O71 O 0.4887(6) -0.2439(6) -0.6556(5) 0.236(7) Uiso 0.5 1 d . . P . .
O73 O 0.5014(3) -0.2356(3) -0.6657(2) 0.092(2) Uiso 0.5 1 d . . P . .
O91 O 0.8427(4) -0.4969(3) -0.5750(3) 0.141(4) Uiso 0.5 1 d . . P . .
O5W O 0.2462(2) 0.0996(2) -0.02774(17) 0.0667(18) Uiso 0.5 1 d . . P . .
O6W O 0.9720(4) -0.6192(4) -0.3892(3) 0.145(4) Uiso 0.5 1 d . . P . .
O7W O 0.4722(8) 0.6769(7) -0.5293(6) 0.303(10) Uiso 0.5 1 d . . P . .
O8W O 0.5105(6) 0.6914(5) -0.5308(4) 0.205(6) Uiso 0.5 1 d . . P . .
O9W O -0.2320(3) -0.0203(3) -0.3758(2) 0.110(3) Uiso 0.5 1 d . . P . .
O10W O 0.5019(4) 0.4979(4) -0.4920(2) 0.092(2) Uiso 0.5 1 d . . P G 1
O10' O 0.4834(5) 0.4708(4) -0.4725(4) 0.186(5) Uiso 0.5 1 d . . P H 2
O11W O 0.6401(4) 0.3574(4) -0.8229(3) 0.152(4) Uiso 0.5 1 d . . P . .
O12W O 0.4865(3) -0.3252(3) -0.3411(2) 0.118(3) Uiso 0.5 1 d . . P . .
O13W O 0.7704(6) 0.3659(5) 0.5471(4) 0.224(6) Uiso 0.5 1 d . . P . .
O14W O 0.6591(4) 0.7087(4) -0.8050(3) 0.160(4) Uiso 0.5 1 d . . P . .
O15W O 0.6573(7) 0.6941(6) -0.8260(5) 0.181(8) Uiso 0.3333 1 d . . P . .
O16W O 0.2481(10) 0.0866(9) -0.0235(7) 0.363(13) Uiso 0.5 1 d . . P . .
O17W O -0.4600(5) -0.1627(5) 0.0130(4) 0.210(6) Uiso 0.5 1 d . . P . .
O18W O 0.9669(7) -0.5973(6) -0.3821(5) 0.272(9) Uiso 0.5 1 d . . P . .
O19W O 0.8527(7) -0.1539(6) -0.6391(5) 0.255(8) Uiso 0.5 1 d . . P . .
O4L O 0.7748(6) 0.2283(5) -0.6041(4) 0.220(6) Uiso 0.5 1 d . . P . .
O20W O -0.3233(3) -0.9432(3) 0.5285(3) 0.115(3) Uiso 0.5 1 d . . P . .
O21W O -0.3231(3) -0.9586(3) 0.5399(3) 0.118(3) Uiso 0.5 1 d . . P . .
O22W O -0.5130(8) -1.0711(7) 0.2923(6) 0.264(10) Uiso 0.4167 1 d . . P . .
O1 O -0.36169(17) -0.93211(15) -0.06777(12) 0.0356(12) Uiso 0.5 1 d . . P I 1
O2 O -0.37543(19) -0.97795(17) -0.03980(14) 0.0490(14) Uiso 0.5 1 d . . P J 2
O23W O 0.34933(19) 0.35154(17) -0.35870(14) 0.148(2) Uani 1 1 d . . . . .
O92 O 0.9319(5) -0.4568(5) -0.5714(4) 0.192(5) Uiso 0.5 1 d . . P K 1
O24W O 0.0272(5) 0.3907(4) -0.8333(3) 0.180(5) Uiso 0.5 1 d . . P L 1
O25W O -0.23064(17) -0.07627(15) -0.28210(12) 0.0341(12) Uiso 0.5 1 d . . P M 1
O26W O -0.4807(7) -1.0977(6) 0.3087(5) 0.259(8) Uiso 0.5 1 d . . P N 1
O27W O 0.8846(4) -0.5005(4) -0.5823(3) 0.149(4) Uiso 0.5 1 d . . P O 2
O2L O 0.26116(17) 0.31478(15) -0.91711(12) 0.0349(12) Uiso 0.5 1 d . . P P 2
O28W O 0.0845(3) 0.4196(2) -0.8723(2) 0.091(2) Uiso 0.5 1 d . . P Q 2
O710 O -0.1619(7) 0.0993(6) -0.1780(5) 0.114(6) Uiso 0.25 1 d . . P R 2
O711 O -0.0896(6) 0.0619(5) -0.1804(4) 0.096(5) Uiso 0.25 1 d . . P R 2
C713 C -0.1441(5) 0.1141(5) -0.1679(4) 0.112(5) Uiso 0.5 1 d . . P R 2
N710 N -0.1510(8) 0.0609(7) -0.1561(6) 0.228(8) Uiso 0.5 1 d . . P R 2
C712 C -0.1303(5) 0.0732(5) -0.1742(4) 0.108(4) Uiso 0.5 1 d . . P R 2
C711 C -0.1737(7) 0.0601(6) -0.1871(5) 0.168(7) Uiso 0.5 1 d . . P R 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N401 2.118(3) . ?
Zn1 N505 2.120(3) . ?
Zn1 N305 2.161(3) . ?
Zn1 N304 2.163(4) . ?
Zn1 N504 2.172(3) . ?
Zn1 N402 2.180(3) . ?
Zn2 N307 2.109(4) . ?
Zn2 N502 2.119(3) . ?
Zn2 N204 2.137(4) . ?
Zn2 N501 2.159(4) . ?
Zn2 N308 2.168(3) . ?
Zn2 N205 2.176(4) . ?
Zn3 N201 2.135(4) . ?
Zn3 N105 2.136(4) . ?
Zn3 N510 2.144(4) . ?
Zn3 N202 2.147(4) . ?
Zn3 N511 2.156(4) . ?
Zn3 N104 2.163(4) . ?
Zn4 N210 2.020(6) . ?
Zn4 N602 2.130(5) . ?
Zn4 N101 2.135(4) . ?
Zn4 N102 2.140(4) . ?
Zn4 N601 2.147(5) . ?
Zn4 N211 2.184(6) . ?
Zn4 N11B 2.238(11) . ?
Zn4 N10B 2.241(11) . ?
Zn5 N310 2.003(7) . ?
Zn5 N311 2.115(4) . ?
Zn5 N208 2.127(7) . ?
Zn5 N611 2.154(4) . ?
Zn5 N610 2.156(5) . ?
Zn5 N207 2.173(4) . ?
Zn5 N10C 2.177(9) . ?
Zn5 N08B 2.197(13) . ?
Zn6 N410 2.139(4) . ?
Zn6 N107 2.144(4) . ?
Zn6 N411 2.157(4) . ?
Zn6 N508 2.167(5) . ?
Zn6 N108 2.170(4) . ?
Zn6 N507 2.178(5) . ?
Zn7 N110 2.122(5) . ?
Zn7 N111 2.137(4) . ?
Zn7 N408 2.150(5) . ?
Zn7 N604 2.160(5) . ?
Zn7 N605 2.170(5) . ?
Zn7 N407 2.173(5) . ?
Zn8 N608 1.819(7) . ?
Zn8 N607 1.977(7) . ?
Zn8 N05D 2.013(10) . ?
Zn8 N301 2.125(5) . ?
Zn8 N302 2.136(4) . ?
Zn8 N404 2.171(6) . ?
Zn8 N04D 2.174(11) . ?
Zn8 N405 2.265(6) . ?
Zn8 N07F 2.361(7) . ?
Zn8 N08F 2.402(8) . ?
N101 C101 1.315(7) . ?
N101 C105 1.354(6) . ?
N102 C110 1.298(6) . ?
N102 C106 1.368(6) . ?
N103 C111 1.351(10) . ?
N103 C109 1.427(7) . ?
N103 C11A 1.525(17) . ?
N103 H10J 0.8999 . ?
N103 H10G 0.9003 . ?
C101 C102 1.409(8) . ?
C101 H10A 0.9500 . ?
C102 C103 1.354(8) . ?
C102 H10B 0.9500 . ?
C103 C104 1.438(8) . ?
C103 H10C 0.9500 . ?
C104 C105 1.391(7) . ?
C104 H10D 0.9500 . ?
C105 C106 1.461(7) . ?
C106 C107 1.337(7) . ?
C107 C108 1.348(7) . ?
C107 H10E 0.9500 . ?
C108 C109 1.397(7) . ?
C108 H10F 0.9500 . ?
C109 C110 1.333(7) . ?
C110 H11A 0.9500 . ?
C111 O101 1.342(11) . ?
C111 C112 1.478(12) . ?
C112 C113 1.388(10) . ?
C112 C117 1.396(9) . ?
C113 C114 1.392(10) . ?
C113 H11B 0.9500 . ?
C114 C115 1.380(10) . ?
C114 H11C 0.9500 . ?
C115 C116 1.352(10) . ?
C115 C10G 1.622(13) . ?
C116 C117 1.471(9) . ?
C116 H11D 0.9500 . ?
C11A O01A 1.30(2) . ?
C11A O1AA 1.373(18) . ?
C11A C117 1.957(17) . ?
O01A O1AA 1.42(3) . ?
C12A C117 1.381(7) . ?
C12A C13A 1.403(8) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.398(8) . ?
C13A H13A 0.9500 . ?
C14A C11H 1.312(17) . ?
C14A C15A 1.401(8) . ?
C15A C16A 1.405(8) . ?
C15A H15A 0.9500 . ?
C16A C117 1.397(8) . ?
C16A H16A 0.9500 . ?
C117 H11G 0.9599 . ?
N104 C122 1.277(6) . ?
N104 C118 1.366(7) . ?
N105 C127 1.339(6) . ?
N105 C123 1.385(6) . ?
N106 C28A 1.290(12) . ?
N106 C126 1.426(7) . ?
N106 C128 1.476(16) . ?
N106 H10K 0.8998 . ?
N106 H10H 0.9000 . ?
C118 C119 1.353(8) . ?
C118 H11E 0.9500 . ?
C119 C120 1.338(9) . ?
C119 H11F 0.9500 . ?
C120 C121 1.439(9) . ?
C120 H12B 0.9500 . ?
C121 C122 1.381(7) . ?
C121 H12C 0.9500 . ?
C122 C123 1.507(7) . ?
C123 C124 1.338(8) . ?
C124 C125 1.302(9) . ?
C124 H12D 0.9500 . ?
C125 C126 1.428(8) . ?
C125 H12E 0.9500 . ?
C126 C127 1.338(7) . ?
C127 H12F 0.9500 . ?
O102 C128 1.326(17) . ?
C128 C129 1.373(18) . ?
C129 C130 1.351(12) . ?
C129 C134 1.393(12) . ?
C130 C131 1.445(12) . ?
C130 H13B 0.9500 . ?
C131 C132 1.374(11) . ?
C131 H13C 0.9500 . ?
C132 C133 1.362(11) . ?
C132 C11G 1.549(13) . ?
C133 C134 1.421(13) . ?
C133 H13D 0.9500 . ?
C134 H13E 0.9500 . ?
O02A C28A 1.271(13) . ?
C28A C29A 1.580(13) . ?
C29A C30A 1.366(8) . ?
C29A C34A 1.398(7) . ?
C30A C31A 1.401(8) . ?
C30A H30A 0.9500 . ?
C31A C32A 1.398(7) . ?
C31A H31A 0.9500 . ?
C32A C33A 1.393(8) . ?
C32A C11H 1.513(18) . ?
C33A C34A 1.392(8) . ?
C33A H33A 0.9500 . ?
C34A H34A 0.9500 . ?
N107 C135 1.337(7) . ?
N107 C139 1.357(8) . ?
N108 C140 1.330(7) . ?
N108 C144 1.347(7) . ?
N109 C145 1.356(15) . ?
N109 C143 1.381(7) . ?
N109 C45A 1.447(15) . ?
N109 H10L 0.9000 . ?
N109 H10I 0.8999 . ?
C135 C136 1.367(9) . ?
C135 H13F 0.9500 . ?
C136 C137 1.383(10) . ?
C136 H13G 0.9500 . ?
C137 C138 1.416(9) . ?
C137 H13H 0.9500 . ?
C138 C139 1.387(8) . ?
C138 H13I 0.9500 . ?
C139 C140 1.416(8) . ?
C140 C141 1.338(8) . ?
C141 C142 1.338(8) . ?
C141 H14A 0.9500 . ?
C142 C143 1.424(8) . ?
C142 H14B 0.9500 . ?
C143 C144 1.367(8) . ?
C144 H14C 0.9500 . ?
C146 C151 1.303(10) . ?
C146 C147 1.328(12) . ?
C146 C145 1.581(15) . ?
C146 C47A 1.65(2) . ?
C146 H14F 0.9597 . ?
C151 C50A 1.23(2) . ?
C151 C45A 1.619(15) . ?
C151 C150 1.685(12) . ?
C151 H15I 0.9595 . ?
C145 O03' 1.39(2) . ?
C145 O103 1.50(2) . ?
O103 O03' 1.05(2) . ?
C147 C148 1.417(13) . ?
C147 H14D 0.9500 . ?
C148 C149 1.314(15) . ?
C148 H14E 0.9500 . ?
C149 C150 1.306(15) . ?
C149 C11G 1.566(14) . ?
C150 H15B 0.9500 . ?
C45A O3AA 1.61(2) . ?
C45A O03A 1.70(2) . ?
O03A O3AA 0.81(2) . ?
C47A C48A 1.53(3) . ?
C47A H47A 0.9500 . ?
C48A C10H 1.45(2) . ?
C48A C49A 1.45(3) . ?
C49A C50A 1.51(3) . ?
C49A H49A 0.9500 . ?
C50A H50A 0.9500 . ?
C10H C11H 1.391(19) . ?
C10H C166 1.564(15) . ?
C10G C11G 1.209(14) . ?
C10G C166 1.571(13) . ?
O104 C162 1.247(7) . ?
N110 C156 1.359(6) . ?
N110 C152 1.371(8) . ?
N111 C157 1.357(6) . ?
N111 C161 1.360(6) . ?
N112 C162 1.275(7) . ?
N112 C160 1.427(6) . ?
N112 H11H 0.8800 . ?
C152 C153 1.395(9) . ?
C152 H15C 0.9500 . ?
C153 C154 1.281(9) . ?
C153 H15D 0.9500 . ?
C154 C155 1.417(8) . ?
C154 H15E 0.9500 . ?
C155 C156 1.345(7) . ?
C155 H15F 0.9500 . ?
C156 C157 1.464(7) . ?
C157 C158 1.410(7) . ?
C158 C159 1.339(7) . ?
C158 H15G 0.9500 . ?
C159 C160 1.391(7) . ?
C159 H15H 0.9500 . ?
C160 C161 1.366(6) . ?
C161 H16B 0.9500 . ?
C162 C163 1.509(9) . ?
C163 C164 1.358(10) . ?
C163 C168 1.379(9) . ?
C164 C165 1.378(10) . ?
C164 H16C 0.9500 . ?
C165 C166 1.448(11) . ?
C165 H16D 0.9500 . ?
C166 C167 1.339(10) . ?
C167 C168 1.476(9) . ?
C167 H16E 0.9500 . ?
C168 H16F 0.9500 . ?
N201 C201 1.356(6) . ?
N201 C205 1.367(6) . ?
N202 C206 1.298(6) . ?
N202 C210 1.347(6) . ?
N203 C211 1.343(9) . ?
N203 C209 1.429(7) . ?
N203 H20G 0.8800 . ?
C201 C202 1.418(7) . ?
C201 H20A 0.9500 . ?
C202 C203 1.311(7) . ?
C202 H20B 0.9500 . ?
C203 C204 1.382(7) . ?
C203 H20C 0.9500 . ?
C204 C205 1.360(7) . ?
C204 H20D 0.9500 . ?
C205 C206 1.535(7) . ?
C206 C207 1.387(8) . ?
C207 C208 1.375(8) . ?
C207 H20E 0.9500 . ?
C208 C209 1.417(9) . ?
C208 H20F 0.9500 . ?
C209 C210 1.388(8) . ?
C210 H21A 0.9500 . ?
O201 O01B 1.02(3) . ?
O201 C211 1.243(10) . ?
O01B C211 1.75(3) . ?
C211 C217 1.487(9) . ?
C212 C217 1.296(10) . ?
C212 C213 1.320(11) . ?
C212 H21B 0.9500 . ?
C213 C214 1.315(10) . ?
C213 H21C 0.9500 . ?
C214 C215 1.477(10) . ?
C214 C21G 1.583(9) . ?
C215 C216 1.455(9) . ?
C215 H21D 0.9500 . ?
C216 C217 1.365(9) . ?
C216 H21E 0.9500 . ?
N204 C218 1.338(7) . ?
N204 C222 1.359(7) . ?
N205 C227 1.315(6) . ?
N205 C223 1.363(6) . ?
N206 C228 1.339(8) . ?
N206 C226 1.401(7) . ?
N206 H20H 0.8800 . ?
C218 C219 1.379(8) . ?
C218 H21F 0.9500 . ?
C219 C220 1.381(8) . ?
C219 H21G 0.9500 . ?
C220 C221 1.468(8) . ?
C220 H22A 0.9500 . ?
C221 C222 1.380(8) . ?
C221 H22B 0.9500 . ?
C222 C223 1.492(8) . ?
C223 C224 1.307(8) . ?
C224 C225 1.367(8) . ?
C224 H22C 0.9500 . ?
O202 C228 1.231(9) . ?
O02B C228 1.434(15) . ?
C225 C226 1.390(8) . ?
C225 H22D 0.9500 . ?
C226 C227 1.367(7) . ?
C227 H22E 0.9500 . ?
C228 C229 1.567(9) . ?
C229 C234 1.290(9) . ?
C229 C230 1.333(9) . ?
C230 C231 1.393(9) . ?
C230 H23A 0.9500 . ?
C231 C232 1.305(9) . ?
C231 H23B 0.9500 . ?
C232 C233 1.374(8) . ?
C232 C20G 1.498(9) . ?
C233 C234 1.553(9) . ?
C233 H23C 0.9500 . ?
C234 H23D 0.9500 . ?
C20G C21G 1.244(9) . ?
C20G C249 1.384(12) . ?
C20G C48B 1.663(8) . ?
C21G C266 1.539(9) . ?
N207 C239 1.337(6) . ?
N207 C235 1.340(6) . ?
C235 C236 1.347(7) . ?
C235 H23E 0.9500 . ?
C236 C237 1.380(8) . ?
C236 H23F 0.9500 . ?
C237 C238 1.426(7) . ?
C237 H23G 0.9500 . ?
C238 C239 1.383(7) . ?
C238 H23H 0.9500 . ?
C239 C40B 1.466(17) . ?
C239 C240 1.483(9) . ?
N208 C244 1.349(9) . ?
N208 C240 1.372(10) . ?
N209 C245 1.278(12) . ?
N209 C243 1.461(8) . ?
N209 H20I 0.8800 . ?
C240 C241 1.413(11) . ?
C241 C242 1.376(10) . ?
C241 H24A 0.9500 . ?
C242 C243 1.411(9) . ?
C242 H24B 0.9500 . ?
C244 C243 1.360(9) . ?
C244 H24C 0.9500 . ?
O203 O23' 0.774(17) . ?
O203 C245 1.421(17) . ?
O23' C245 1.309(16) . ?
O03B O3BB 1.08(3) . ?
O03B C45B 1.66(3) . ?
O3BB C45B 1.04(3) . ?
N09B C45B 1.32(2) . ?
N09B C243 1.410(15) . ?
N09B H09A 0.8800 . ?
N08B C44B 1.25(2) . ?
N08B C40B 1.28(2) . ?
C40B C41B 1.35(2) . ?
C41B C42B 1.30(2) . ?
C41B H41A 0.9500 . ?
C42B C243 1.472(17) . ?
C42B H42A 0.9500 . ?
C44B C243 1.429(17) . ?
C44B H44A 0.9500 . ?
C246 C251 1.159(12) . ?
C246 C247 1.365(13) . ?
C246 C51B 1.385(7) . ?
C246 C47B 1.423(7) . ?
C246 C245 1.678(9) . ?
C246 H24F 0.9601 . ?
C247 C248 1.516(14) . ?
C247 H24D 0.9500 . ?
C248 C249 1.511(16) . ?
C248 H24E 0.9500 . ?
C249 C250 1.328(15) . ?
C250 C251 1.580(15) . ?
C250 H25A 0.9500 . ?
C251 H25B 0.9500 . ?
C45B C51B 1.637(14) . ?
C47B C48B 1.410(7) . ?
C47B H47B 0.9500 . ?
C48B C49B 1.407(7) . ?
C49B C50B 1.405(8) . ?
C49B H49B 0.9500 . ?
C50B C51B 1.397(8) . ?
C50B H50B 0.9500 . ?
N211 C261 1.356(7) . ?
N211 C257 1.358(9) . ?
N210 C252 1.361(9) . ?
N210 C256 1.410(9) . ?
C252 C253 1.363(9) . ?
C252 H25C 0.9500 . ?
C253 C254 1.405(10) . ?
C253 H25D 0.9500 . ?
C254 C255 1.384(10) . ?
C254 H25E 0.9500 . ?
C255 C256 1.400(9) . ?
C255 H25F 0.9500 . ?
C256 C257 1.461(11) . ?
C257 C258 1.355(10) . ?
C258 C259 1.398(10) . ?
C258 H25G 0.9500 . ?
C259 C260 1.368(9) . ?
C259 H25H 0.9500 . ?
O204 C262 1.322(10) . ?
N10B C52B 1.406(13) . ?
N10B C56B 1.423(13) . ?
N11B C57B 1.379(13) . ?
N11B C261 1.386(11) . ?
C52B C53B 1.369(13) . ?
C52B H52A 0.9500 . ?
C53B C54B 1.379(13) . ?
C53B H53A 0.9500 . ?
C54B C55B 1.406(14) . ?
C54B H54A 0.9500 . ?
C55B C56B 1.415(13) . ?
C55B H55A 0.9500 . ?
C56B C57B 1.418(17) . ?
C57B C58B 1.335(13) . ?
C59B C58B 1.409(14) . ?
C59B C260 1.409(12) . ?
C59B H59A 0.9500 . ?
C58B H58A 0.9500 . ?
O04B C262 1.557(17) . ?
N212 C262 1.293(8) . ?
N212 C260 1.425(7) . ?
N212 H21H 0.8800 . ?
C260 C261 1.366(7) . ?
C261 H26A 0.9500 . ?
C262 C263 1.517(10) . ?
C263 C268 1.345(9) . ?
C263 C264 1.394(11) . ?
C264 C265 1.363(10) . ?
C264 H26B 0.9500 . ?
C265 C266 1.378(9) . ?
C265 H26C 0.9500 . ?
C266 C267 1.350(9) . ?
C267 C268 1.411(10) . ?
C267 H26D 0.9500 . ?
C268 H26E 0.9500 . ?
N301 C305 1.301(7) . ?
N301 C301 1.402(7) . ?
N302 C306 1.298(7) . ?
N302 C310 1.349(6) . ?
N303 C311 1.176(11) . ?
N303 C11C 1.365(15) . ?
N303 C309 1.407(6) . ?
N303 H30K 0.8999 . ?
N303 H30J 0.9000 . ?
C301 C302 1.260(10) . ?
C301 H30B 0.9500 . ?
C302 C303 1.294(10) . ?
C302 H30C 0.9500 . ?
C303 C304 1.394(9) . ?
C303 H30D 0.9500 . ?
C304 C305 1.321(9) . ?
C304 H30E 0.9500 . ?
C305 C306 1.483(8) . ?
C306 C307 1.413(9) . ?
C307 C308 1.343(8) . ?
C307 H30F 0.9500 . ?
C308 C309 1.435(8) . ?
C308 H30G 0.9500 . ?
C309 C310 1.366(8) . ?
C310 H31B 0.9500 . ?
C312 C317 1.155(11) . ?
C312 C313 1.346(6) . ?
C312 C17C 1.427(7) . ?
C312 C311 1.762(11) . ?
C312 H31H 0.9601 . ?
C313 C14C 1.367(7) . ?
C313 C314 1.699(12) . ?
C313 C11C 1.722(13) . ?
C313 H31J 0.9601 . ?
C311 O301 1.528(15) . ?
C314 C315 1.324(14) . ?
C314 H31C 0.9500 . ?
C315 C316 1.330(14) . ?
C315 C30H 1.597(16) . ?
C315 C31H 1.649(15) . ?
C316 C317 1.388(13) . ?
C316 H31D 0.9500 . ?
C317 H31E 0.9500 . ?
C11C O1CC 1.238(17) . ?
C11C O01C 1.507(17) . ?
O01C O1CC 1.50(2) . ?
C14C C15C 1.394(8) . ?
C14C H14G 0.9500 . ?
C15C C16C 1.403(8) . ?
C15C H15J 0.9500 . ?
C16C C17C 1.402(8) . ?
C16C C31H 1.439(14) . ?
C16C C30H 1.507(16) . ?
C17C H17A 0.9500 . ?
N304 C322 1.328(5) . ?
N304 C318 1.339(5) . ?
N305 C323 1.312(5) . ?
N305 C327 1.330(5) . ?
N306 C328 1.320(7) . ?
N306 C326 1.415(6) . ?
N306 H30H 0.8800 . ?
O302 C328 1.305(8) . ?
C318 C319 1.383(7) . ?
C318 H31F 0.9500 . ?
C319 C320 1.402(7) . ?
C319 H31G 0.9500 . ?
C320 C321 1.363(7) . ?
C320 H32A 0.9500 . ?
C321 C322 1.385(6) . ?
C321 H32B 0.9500 . ?
C322 C323 1.480(6) . ?
C323 C324 1.374(6) . ?
C324 C325 1.358(7) . ?
C324 H32C 0.9500 . ?
C325 C326 1.389(7) . ?
C325 H32D 0.9500 . ?
C326 C327 1.380(6) . ?
C327 H32E 0.9500 . ?
C328 C329 1.502(8) . ?
C329 C334 1.364(8) . ?
C329 C330 1.373(8) . ?
C330 C331 1.484(9) . ?
C330 H33B 0.9500 . ?
C331 C332 1.320(9) . ?
C331 H33C 0.9500 . ?
C332 C333 1.317(10) . ?
C332 C30H 1.492(14) . ?
C332 C31G 1.498(13) . ?
C333 C334 1.419(10) . ?
C333 H33D 0.9500 . ?
C334 H33E 0.9500 . ?
N307 C339 1.311(6) . ?
N307 C335 1.349(6) . ?
N308 C340 1.330(5) . ?
N308 C344 1.355(5) . ?
N309 C345 1.283(7) . ?
N309 C343 1.389(6) . ?
N309 H30I 0.8800 . ?
O303 C345 1.402(8) . ?
C335 C336 1.391(7) . ?
C335 H33F 0.9500 . ?
C336 C337 1.326(8) . ?
C336 H33G 0.9500 . ?
C337 C338 1.408(7) . ?
C337 H33H 0.9500 . ?
C338 C339 1.395(6) . ?
C338 H33I 0.9500 . ?
C339 C340 1.467(6) . ?
C340 C341 1.386(6) . ?
C341 C342 1.397(6) . ?
C341 H34B 0.9500 . ?
C342 C343 1.398(6) . ?
C342 H34C 0.9500 . ?
C343 C344 1.364(6) . ?
C344 H34D 0.9500 . ?
C345 C346 1.579(9) . ?
C346 C351 1.291(8) . ?
C346 C347 1.461(9) . ?
C347 C348 1.309(9) . ?
C347 H34E 0.9500 . ?
C348 C349 1.517(12) . ?
C348 H34F 0.9500 . ?
C349 C350 1.281(11) . ?
C349 C31G 1.576(13) . ?
C349 C30G 1.691(16) . ?
C350 C351 1.570(10) . ?
C350 H35A 0.9500 . ?
C351 H35B 0.9500 . ?
N311 C361 1.303(7) . ?
N311 C357 1.317(8) . ?
N312 C62C 1.219(11) . ?
N312 C362 1.262(13) . ?
N312 C360 1.440(7) . ?
N312 H31K 0.9002 . ?
N312 H31I 0.8999 . ?
C30G C31H 0.880(17) . ?
C30G C31G 1.088(17) . ?
C30G C366 1.343(16) . ?
C30G C30H 1.384(18) . ?
C30G C67C 1.549(16) . ?
C30H C31H 0.977(16) . ?
C30H C31G 1.022(16) . ?
C31G C31H 1.392(18) . ?
C31H C366 1.418(14) . ?
C31H C67C 1.641(14) . ?
C353 C352 1.384(8) . ?
C353 C354 1.404(8) . ?
C353 H35C 0.9500 . ?
C354 C355 1.406(8) . ?
C354 H35D 0.9500 . ?
C355 C356 1.406(8) . ?
C355 H35E 0.9500 . ?
C352 N310 1.395(7) . ?
C352 H35F 0.9500 . ?
N310 C356 1.381(7) . ?
C356 C357 1.591(10) . ?
C56C N10C 1.320(11) . ?
C56C C357 1.353(12) . ?
C56C C55C 1.411(12) . ?
N10C C52C 1.424(12) . ?
C54C C55C 1.394(12) . ?
C54C C53C 1.404(12) . ?
C54C H54B 0.9500 . ?
C53C C52C 1.375(12) . ?
C53C H53B 0.9500 . ?
C52C H52B 0.9500 . ?
C55C H55B 0.9500 . ?
C357 C358 1.307(8) . ?
C358 C359 1.334(8) . ?
C358 H35G 0.9500 . ?
C359 C360 1.516(9) . ?
C359 H35H 0.9500 . ?
C360 C361 1.306(8) . ?
C361 H36A 0.9500 . ?
C363 C64C 1.354(7) . ?
C363 C368 1.364(7) . ?
C363 C364 1.385(7) . ?
C363 C68C 1.427(7) . ?
C363 C362 1.708(13) . ?
C363 H36F 0.9599 . ?
C362 O304 1.250(13) . ?
C364 C365 1.390(8) . ?
C364 H36B 0.9500 . ?
C365 C366 1.396(7) . ?
C365 H36C 0.9500 . ?
C366 C367 1.391(8) . ?
C367 C368 1.396(8) . ?
C367 H36D 0.9500 . ?
C368 H36E 0.9500 . ?
O04C C62C 1.430(15) . ?
C62C C64C 1.456(15) . ?
C64C C65C 1.369(7) . ?
C65C C66C 1.395(8) . ?
C65C H65A 0.9500 . ?
C66C C67C 1.403(7) . ?
C66C H66A 0.9500 . ?
C67C C68C 1.404(8) . ?
C68C H68A 0.9500 . ?
N401 C405 1.309(5) . ?
N401 C401 1.340(5) . ?
N402 C410 1.311(5) . ?
N402 C406 1.335(5) . ?
N403 C411 1.335(6) . ?
N403 C409 1.427(5) . ?
N403 H40G 0.8800 . ?
C401 C402 1.408(6) . ?
C401 H40A 0.9500 . ?
C402 C403 1.333(7) . ?
C402 H40B 0.9500 . ?
C403 C404 1.391(7) . ?
C403 H40C 0.9500 . ?
C404 C405 1.431(6) . ?
C404 H40D 0.9500 . ?
C405 C406 1.486(6) . ?
C406 C407 1.394(6) . ?
C407 C408 1.348(6) . ?
C407 H40E 0.9500 . ?
C408 C409 1.376(6) . ?
C408 H40F 0.9500 . ?
C409 C410 1.374(6) . ?
C410 H41B 0.9500 . ?
O401 C411 1.235(6) . ?
C411 C412 1.465(6) . ?
C412 C413 1.371(7) . ?
C412 C417 1.386(7) . ?
C413 C414 1.409(7) . ?
C413 H41C 0.9500 . ?
C414 C415 1.356(8) . ?
C414 H41D 0.9500 . ?
C415 C416 1.370(7) . ?
C415 C40G 1.493(7) . ?
C416 C417 1.338(7) . ?
C416 H41E 0.9500 . ?
C417 H41F 0.9500 . ?
N404 C422 1.275(10) . ?
N404 C418 1.330(10) . ?
N405 C423 1.312(10) . ?
N405 C427 1.370(9) . ?
C418 C419 1.416(12) . ?
C418 H41G 0.9500 . ?
C419 C420 1.278(12) . ?
C419 H41H 0.9500 . ?
C420 C421 1.351(11) . ?
C420 H42B 0.9500 . ?
C421 C422 1.411(12) . ?
C421 H42C 0.9500 . ?
C422 C423 1.541(11) . ?
C423 C424 1.321(11) . ?
C424 C425 1.386(11) . ?
C424 H42D 0.9500 . ?
C425 C426 1.335(11) . ?
C425 H42E 0.9500 . ?
C426 C427 1.280(11) . ?
C426 N406 1.467(10) . ?
C427 H42F 0.9500 . ?
N406 C428 1.306(11) . ?
N406 H40I 0.8800 . ?
O402 C428 1.237(10) . ?
C428 C429 1.534(11) . ?
C430 C429 1.345(10) . ?
C430 C431 1.440(10) . ?
C430 H43A 0.9500 . ?
C429 C434 1.418(10) . ?
C431 C432 1.349(10) . ?
C431 H43B 0.9500 . ?
C432 C433 1.365(10) . ?
C432 C41G 1.564(9) . ?
C433 C434 1.381(9) . ?
C433 H43C 0.9500 . ?
C434 H43D 0.9500 . ?
N04D C22D 1.242(17) . ?
N04D C18D 1.397(17) . ?
N05D C27D 1.372(16) . ?
N05D C23D 1.372(17) . ?
N06D C26D 1.408(18) . ?
N06D C28D 1.464(19) . ?
N06D H06A 0.8800 . ?
C22D C21D 1.47(2) . ?
C22D C23D 1.526(19) . ?
C18D C19D 1.41(2) . ?
C18D H18A 0.9500 . ?
C19D C20D 1.29(2) . ?
C19D H19A 0.9500 . ?
C20D C21D 1.49(2) . ?
C20D H20J 0.9500 . ?
C23D C24D 1.325(19) . ?
C21D H21I 0.9500 . ?
C26D C27D 1.318(19) . ?
C26D C25D 1.34(2) . ?
C24D C25D 1.486(19) . ?
C24D H24G 0.9500 . ?
C27D H27A 0.9500 . ?
C25D H25I 0.9500 . ?
O02D C28D 1.381(19) . ?
C28D C30D 1.495(19) . ?
C30D C29D 1.373(14) . ?
C30D C31D 1.398(13) . ?
C29D C34D 1.438(13) . ?
C29D H29A 0.9500 . ?
C31D C32D 1.412(13) . ?
C31D H31L 0.9500 . ?
C32D C33D 1.394(13) . ?
C32D H32F 0.9500 . ?
C33D C34D 1.367(13) . ?
C33D C41G 1.467(12) . ?
C34D H34G 0.9500 . ?
O403 O03D 0.761(14) . ?
O403 C445 1.352(13) . ?
O03D C445 1.234(13) . ?
N407 C439 1.282(8) . ?
N407 C435 1.343(7) . ?
N408 C440 1.303(7) . ?
N408 C444 1.386(6) . ?
N409 C445 1.260(9) . ?
N409 C443 1.420(7) . ?
N409 H40H 0.8800 . ?
C435 C436 1.388(9) . ?
C435 H43E 0.9500 . ?
C436 C437 1.402(11) . ?
C436 H43F 0.9500 . ?
C437 C438 1.423(10) . ?
C437 H43G 0.9500 . ?
C438 C439 1.409(9) . ?
C438 H43H 0.9500 . ?
C439 C440 1.486(8) . ?
C440 C441 1.349(8) . ?
C441 C442 1.406(9) . ?
C441 H44B 0.9500 . ?
C442 C443 1.404(9) . ?
C442 H44C 0.9500 . ?
C443 C444 1.310(8) . ?
C444 H44D 0.9500 . ?
C445 C446 1.592(10) . ?
C446 C447 1.325(9) . ?
C446 C451 1.400(9) . ?
C447 C448 1.425(10) . ?
C447 H44E 0.9500 . ?
C448 C449 1.490(9) . ?
C448 H44F 0.9500 . ?
C449 C450 1.355(8) . ?
C449 C41G 1.427(8) . ?
C450 C451 1.477(9) . ?
C450 H45A 0.9500 . ?
C451 H45B 0.9500 . ?
C40G C41G 1.331(8) . ?
C40G C67D 1.508(10) . ?
C40G C466 1.655(13) . ?
N410 C452 1.292(7) . ?
N410 C456 1.359(7) . ?
N411 C461 1.308(6) . ?
N411 C457 1.318(7) . ?
N412 C62D 1.208(14) . ?
N412 C462 1.317(12) . ?
N412 C460 1.418(7) . ?
N412 H41J 0.9000 . ?
N412 H41I 0.9000 . ?
C452 C453 1.378(9) . ?
C452 H45C 0.9500 . ?
C453 C454 1.384(9) . ?
C453 H45D 0.9500 . ?
C454 C455 1.401(8) . ?
C454 H45E 0.9500 . ?
C455 C456 1.430(8) . ?
C455 H45F 0.9500 . ?
C456 C457 1.482(7) . ?
C457 C458 1.391(9) . ?
C458 C459 1.435(9) . ?
C458 H45G 0.9500 . ?
C459 C460 1.381(9) . ?
C459 H45H 0.9500 . ?
C460 C461 1.388(7) . ?
C461 H46A 0.9500 . ?
C463 C468 1.045(15) . ?
C463 C464 1.223(9) . ?
C463 C68D 1.724(15) . ?
C463 C462 1.826(14) . ?
C463 H46E 0.9599 . ?
C464 C65D 1.205(15) . ?
C464 C465 1.682(15) . ?
C464 C62D 1.951(15) . ?
C464 H46F 0.9603 . ?
O404 O04' 1.07(3) . ?
O404 C462 1.80(3) . ?
O04' C462 1.300(18) . ?
C465 C466 1.388(17) . ?
C465 H46B 0.9500 . ?
C466 C467 1.331(16) . ?
C467 C468 1.320(18) . ?
C467 H46C 0.9500 . ?
C468 H46D 0.9500 . ?
C62D O4D 1.396(16) . ?
C65D C66D 1.376(18) . ?
C65D H65B 0.9500 . ?
C66D C67D 1.413(14) . ?
C66D H66B 0.9500 . ?
C67D C68D 1.327(15) . ?
C68D H68B 0.9500 . ?
O501 C511 1.302(8) . ?
N501 C505 1.322(6) . ?
N501 C501 1.372(6) . ?
N502 C506 1.364(6) . ?
N502 C510 1.367(6) . ?
N503 C511 1.265(7) . ?
N503 C509 1.431(6) . ?
N503 H50I 0.8800 . ?
C501 C502 1.438(8) . ?
C501 H50C 0.9500 . ?
C502 C503 1.312(9) . ?
C502 H50D 0.9500 . ?
C503 C504 1.444(8) . ?
C503 H50E 0.9500 . ?
C504 C505 1.381(7) . ?
C504 H50F 0.9500 . ?
C505 C506 1.505(7) . ?
C506 C507 1.343(7) . ?
C507 C508 1.357(8) . ?
C507 H50G 0.9500 . ?
C508 C509 1.460(7) . ?
C508 H50H 0.9500 . ?
C509 C510 1.348(6) . ?
C510 H51A 0.9500 . ?
C511 C512 1.509(8) . ?
C512 C517 1.315(9) . ?
C512 C513 1.453(9) . ?
C515 C516 1.288(11) . ?
C515 C514 1.332(11) . ?
C515 C50G 1.456(12) . ?
C515 C51H 1.553(16) . ?
C513 C514 1.374(10) . ?
C513 H51B 0.9500 . ?
C514 H51C 0.9500 . ?
C516 C517 1.532(10) . ?
C516 H51D 0.9500 . ?
C517 H51E 0.9500 . ?
N504 C518 1.328(5) . ?
N504 C522 1.330(5) . ?
N505 C527 1.320(5) . ?
N505 C523 1.379(5) . ?
N506 C528 1.300(7) . ?
N506 C526 1.388(6) . ?
N506 H50J 0.8800 . ?
C518 C519 1.358(6) . ?
C518 H51F 0.9500 . ?
C519 C520 1.326(7) . ?
C519 H51G 0.9500 . ?
C520 C521 1.385(6) . ?
C520 H52C 0.9500 . ?
C521 C522 1.415(6) . ?
C521 H52D 0.9500 . ?
C522 C523 1.477(6) . ?
C523 C524 1.350(6) . ?
C524 C525 1.343(6) . ?
C524 H52E 0.9500 . ?
C525 C526 1.380(6) . ?
C525 H52F 0.9500 . ?
C526 C527 1.389(6) . ?
C527 H52G 0.9500 . ?
O502 C528 1.323(8) . ?
C528 C529 1.554(9) . ?
C529 C534 1.282(9) . ?
C529 C530 1.448(9) . ?
C532 C533 1.397(10) . ?
C532 C531 1.443(10) . ?
C532 C50G 1.596(11) . ?
C532 C50H 1.599(18) . ?
C530 C531 1.401(10) . ?
C530 H53C 0.9500 . ?
C531 H53D 0.9500 . ?
C533 C534 1.639(10) . ?
C533 H53E 0.9500 . ?
C534 H53F 0.9500 . ?
N507 C539 1.273(7) . ?
N507 C535 1.451(8) . ?
N508 C540 1.303(7) . ?
N508 C544 1.349(7) . ?
N509 C545 1.323(9) . ?
N509 C543 1.379(8) . ?
N509 H50K 0.8800 . ?
C535 C536 1.463(9) . ?
C535 H53G 0.9500 . ?
C536 C537 1.176(9) . ?
C536 H53H 0.9500 . ?
C537 C538 1.388(9) . ?
C537 H53I 0.9500 . ?
C538 C539 1.390(8) . ?
C538 H53J 0.9500 . ?
C539 C540 1.432(8) . ?
C540 C541 1.416(9) . ?
C541 C542 1.327(9) . ?
C541 H54C 0.9500 . ?
C542 C543 1.383(9) . ?
C542 H54D 0.9500 . ?
C543 C544 1.395(8) . ?
C544 H54E 0.9500 . ?
O503 C545 1.850(14) . ?
O03E C545 1.317(10) . ?
C545 C546 1.578(10) . ?
C547 C546 1.350(8) . ?
C547 C548 1.439(9) . ?
C547 H54F 0.9500 . ?
C548 C549 1.358(9) . ?
C548 H54G 0.9500 . ?
C549 C550 1.317(8) . ?
C549 C51G 1.599(11) . ?
C549 C50H 1.667(19) . ?
C550 C551 1.437(9) . ?
C550 H55C 0.9500 . ?
C546 C551 1.385(9) . ?
C551 H55D 0.9500 . ?
C50G C50H 1.04(2) . ?
C50G C51H 1.100(15) . ?
C50G C51G 1.296(13) . ?
C51G C51H 0.965(16) . ?
C51G C50H 1.049(18) . ?
C51G C566 1.514(10) . ?
C50H C51H 1.37(2) . ?
C51H C566 1.591(14) . ?
N510 C556 1.281(7) . ?
N510 C552 1.357(7) . ?
N511 C557 1.289(7) . ?
N511 C561 1.333(7) . ?
C552 C553 1.278(8) . ?
C552 H55E 0.9500 . ?
C553 C554 1.375(9) . ?
C553 H55F 0.9500 . ?
C554 C555 1.349(9) . ?
C554 H55G 0.9500 . ?
C555 C556 1.463(9) . ?
C555 H55H 0.9500 . ?
C556 C557 1.486(8) . ?
C557 C558 1.384(8) . ?
C558 C559 1.362(8) . ?
C558 H55I 0.9500 . ?
C559 C560 1.391(9) . ?
C559 H55J 0.9500 . ?
C560 C561 1.384(8) . ?
C560 N12E 1.411(11) . ?
C560 N512 1.468(12) . ?
C561 H56A 0.9500 . ?
C566 C567 1.360(9) . ?
C566 C67E 1.364(11) . ?
C566 C65E 1.379(10) . ?
C566 C565 1.440(10) . ?
O04E O4EE 0.985(17) . ?
O04E C62E 1.491(17) . ?
O4EE C62E 1.393(13) . ?
C62E N12E 1.427(16) . ?
C62E C63E 1.643(15) . ?
N12E H12H 0.8800 . ?
C67E C68E 1.416(12) . ?
C67E H67A 0.9500 . ?
C64E C63E 1.371(13) . ?
C64E C65E 1.393(11) . ?
C64E H64A 0.9500 . ?
C65E H65C 0.9500 . ?
C63E C68E 1.420(14) . ?
C68E H68C 0.9500 . ?
O504 C562 1.48(2) . ?
C562 N512 1.394(17) . ?
C562 C563 1.615(16) . ?
N512 H51H 0.8800 . ?
C567 C568 1.424(11) . ?
C567 H56B 0.9500 . ?
C563 C568 1.370(12) . ?
C563 C564 1.396(11) . ?
C564 C565 1.390(11) . ?
C564 H56C 0.9500 . ?
C565 H56D 0.9500 . ?
C568 H56E 0.9500 . ?
N601 C605 1.340(7) . ?
N601 C601 1.387(7) . ?
C601 C602 1.381(8) . ?
C601 H60A 0.9500 . ?
C602 C603 1.316(8) . ?
C602 H60B 0.9500 . ?
C603 C604 1.450(8) . ?
C603 H60C 0.9500 . ?
C604 C605 1.400(8) . ?
C604 H60D 0.9500 . ?
C605 C06F 1.413(19) . ?
C605 C606 1.526(10) . ?
N602 C06F 1.28(2) . ?
N602 C606 1.386(10) . ?
N602 C10F 1.392(18) . ?
N602 C610 1.424(10) . ?
N603 C611 1.243(9) . ?
N603 C609 1.444(11) . ?
N603 H60H 0.8800 . ?
C606 C607 1.350(12) . ?
C607 C608 1.416(12) . ?
C607 H60E 0.9500 . ?
C608 C609 1.355(13) . ?
C608 H60F 0.9500 . ?
C609 C610 1.383(12) . ?
C610 H61B 0.9500 . ?
C612 C613 1.382(7) . ?
C612 C617 1.394(7) . ?
C612 C611 1.527(8) . ?
C613 C614 1.382(7) . ?
C613 H61C 0.9500 . ?
C614 C615 1.416(6) . ?
C614 H61D 0.9500 . ?
C616 C615 1.348(6) . ?
C616 C617 1.371(7) . ?
C616 H61E 0.9500 . ?
C617 H61F 0.9500 . ?
N03F C611 1.399(14) . ?
N03F C09F 1.50(2) . ?
N03F H03A 0.8800 . ?
C06F C07F 1.51(2) . ?
C07F C08F 1.49(2) . ?
C07F H07A 0.9500 . ?
C08F C09F 1.37(3) . ?
C08F H08A 0.9500 . ?
C09F C10F 1.35(2) . ?
C10F H10M 0.9500 . ?
C12F C13F 1.384(8) . ?
C12F C17F 1.386(7) . ?
C12F C611 1.498(10) . ?
C13F C14F 1.399(8) . ?
C13F H13J 0.9500 . ?
C14F C615 1.392(7) . ?
C14F H14H 0.9500 . ?
C16F C17F 1.405(8) . ?
C16F C615 1.423(7) . ?
C16F H16G 0.9500 . ?
C17F H17B 0.9500 . ?
C611 O601 1.223(7) . ?
C615 C60G 1.469(12) . ?
C615 C60H 1.670(12) . ?
N604 C622 1.279(8) . ?
N604 C618 1.301(8) . ?
N605 C627 1.320(7) . ?
N605 C623 1.377(7) . ?
N606 C28F 1.125(15) . ?
N606 C628 1.246(11) . ?
N606 C626 1.425(7) . ?
N606 H60J 0.8998 . ?
N606 H60I 0.9002 . ?
C618 C619 1.457(10) . ?
C618 H61G 0.9500 . ?
C619 C620 1.348(10) . ?
C619 H61H 0.9500 . ?
C620 C621 1.355(10) . ?
C620 H62A 0.9500 . ?
C621 C622 1.464(9) . ?
C621 H62B 0.9500 . ?
C622 C623 1.486(9) . ?
C623 C624 1.348(9) . ?
C624 C625 1.363(9) . ?
C624 H62C 0.9500 . ?
C625 C626 1.340(8) . ?
C625 H62D 0.9500 . ?
C626 C627 1.344(8) . ?
C627 H62E 0.9500 . ?
C632 C31F 1.058(15) . ?
C632 C633 1.370(10) . ?
C632 C631 1.435(10) . ?
C632 C61H 1.602(14) . ?
C632 C60G 1.605(12) . ?
C632 C33F 1.649(17) . ?
O62' O602 0.98(2) . ?
O62' C628 1.628(18) . ?
O602 C628 1.348(17) . ?
C628 C629 1.635(11) . ?
C630 C629 1.428(11) . ?
C630 C631 1.429(11) . ?
C630 H63A 0.9500 . ?
C634 C629 1.327(11) . ?
C634 C633 1.337(11) . ?
C634 H63B 0.9500 . ?
C631 H63C 0.9500 . ?
C633 H63D 0.9500 . ?
C28F O02F 1.565(18) . ?
C28F C29F 1.692(15) . ?
C29F C34F 1.43(2) . ?
C29F C30F 1.48(2) . ?
C33F C34F 1.514(19) . ?
C33F H33J 0.9500 . ?
C30F C31F 1.37(2) . ?
C30F H30L 0.9500 . ?
C31F H31M 0.9500 . ?
C34F H34H 0.9500 . ?
C635 N607 1.378(10) . ?
C635 C636 1.403(11) . ?
C635 H63E 0.9500 . ?
C636 C637 1.380(10) . ?
C636 H63F 0.9500 . ?
C637 C638 1.402(11) . ?
C637 H63G 0.9500 . ?
C638 C639 1.353(11) . ?
C638 H63H 0.9500 . ?
C639 N607 1.373(9) . ?
C639 C640 1.471(12) . ?
C640 C641 1.341(10) . ?
C640 N608 1.411(10) . ?
C641 C642 1.420(11) . ?
C641 H64B 0.9500 . ?
C642 C643 1.361(12) . ?
C642 H64C 0.9500 . ?
C643 C644 1.383(11) . ?
C643 N609 1.440(14) . ?
C644 N608 1.377(10) . ?
C644 H64D 0.9500 . ?
C35F N07F 1.389(10) . ?
C35F C36F 1.403(11) . ?
C35F H35I 0.9500 . ?
C36F C37F 1.345(10) . ?
C36F H36G 0.9500 . ?
C39F N07F 1.278(10) . ?
C39F C38F 1.387(11) . ?
C39F C40F 1.487(13) . ?
C37F C38F 1.425(11) . ?
C37F H37A 0.9500 . ?
C38F H38A 0.9500 . ?
C40F C41F 1.295(14) . ?
C40F N08F 1.310(13) . ?
C42F C43F 1.279(16) . ?
C42F C41F 1.525(16) . ?
C42F H42G 0.9500 . ?
C43F C44F 1.225(14) . ?
C43F N09F 1.422(14) . ?
C44F N08F 1.401(13) . ?
C44F H44G 0.9500 . ?
C41F H41K 0.9500 . ?
C649 C48F 1.237(14) . ?
C649 C50F 1.294(15) . ?
C649 C650 1.331(15) . ?
C649 C61H 1.587(14) . ?
C649 C648 1.604(14) . ?
C649 C61G 1.616(12) . ?
C646 C47F 1.141(13) . ?
C646 C647 1.223(14) . ?
C646 C651 1.358(14) . ?
C646 C51F 1.596(16) . ?
C646 C45F 1.722(13) . ?
C646 C645 1.736(13) . ?
O603 C645 1.269(16) . ?
C645 N609 1.074(15) . ?
N609 H60G 0.8800 . ?
C647 C648 1.450(18) . ?
C647 H64E 0.9500 . ?
C648 H64F 0.9500 . ?
C650 C651 1.394(18) . ?
C650 H65D 0.9500 . ?
C651 H65E 0.9500 . ?
N09F C45F 1.549(17) . ?
N09F H09B 0.8800 . ?
C45F O3F 1.371(15) . ?
C47F C48F 1.379(17) . ?
C47F H47C 0.9500 . ?
C48F H48A 0.9500 . ?
C50F C51F 1.498(19) . ?
C50F H50L 0.9500 . ?
C51F H51I 0.9500 . ?
C60G C60H 1.031(15) . ?
C60G C61H 1.079(16) . ?
C60G C61G 1.324(15) . ?
C61G C60H 0.810(14) . ?
C61G C61H 0.940(14) . ?
C61G C666 1.541(11) . ?
C60H C61H 1.177(15) . ?
C60H C666 1.497(12) . ?
N610 C656 1.312(8) . ?
N610 C652 1.356(8) . ?
N611 C657 1.332(7) . ?
N611 C661 1.336(6) . ?
N612 C62F 1.094(17) . ?
N612 C662 1.154(13) . ?
N612 C660 1.399(7) . ?
N612 H61J 0.9000 . ?
N612 H61I 0.9000 . ?
C652 C653 1.474(11) . ?
C652 H65F 0.9500 . ?
C653 C654 1.328(12) . ?
C653 H65G 0.9500 . ?
C654 C655 1.381(11) . ?
C654 H65H 0.9500 . ?
C655 C656 1.368(10) . ?
C655 H65I 0.9500 . ?
C656 C657 1.500(8) . ?
C657 C658 1.349(8) . ?
C658 C659 1.420(9) . ?
C658 H65J 0.9500 . ?
C659 C660 1.366(8) . ?
C659 H65K 0.9500 . ?
C660 C661 1.359(7) . ?
C661 H66C 0.9500 . ?
C666 C65F 1.313(10) . ?
C666 C667 1.374(9) . ?
C666 C665 1.409(9) . ?
C666 C67F 1.416(10) . ?
O604 O64' 0.674(19) . ?
O604 C662 1.20(2) . ?
O64' C662 1.505(17) . ?
C662 C663 1.624(16) . ?
C663 C664 1.377(11) . ?
C663 C668 1.415(12) . ?
C664 C665 1.326(11) . ?
C664 H66D 0.9500 . ?
C665 H66E 0.9500 . ?
C667 C668 1.421(12) . ?
C667 H66F 0.9500 . ?
C668 H66G 0.9500 . ?
C62F O04F 1.38(2) . ?
C62F C63F 1.684(18) . ?
C64F C65F 1.396(13) . ?
C64F C63F 1.404(13) . ?
C64F H64G 0.9500 . ?
C63F C68F 1.354(12) . ?
C65F H65L 0.9500 . ?
C67F C68F 1.388(12) . ?
C67F H67B 0.9500 . ?
C68F H68D 0.9500 . ?
B1 F13 1.299(10) . ?
B1 F11 1.342(11) . ?
B1 F12' 1.365(11) . ?
B1 F14 1.391(10) . ?
B1 F11' 1.400(10) . ?
B1 F12 1.418(16) . ?
B2 F24 1.182(13) . ?
B2 F25 1.308(16) . ?
B2 F27 1.326(17) . ?
B2 F28 1.402(13) . ?
B2 F21 1.452(12) . ?
B2 F22 1.478(13) . ?
B2 F26 1.671(15) . ?
B2 F23 1.711(15) . ?
F21 F26 1.213(11) . ?
F21 F25 1.484(15) . ?
F22 F25 1.320(14) . ?
F23 F28 0.644(11) . ?
F24 F27 0.788(11) . ?
B3 F32 1.282(8) . ?
B3 F33 1.319(8) . ?
B3 F34 1.351(8) . ?
B3 F31 1.395(11) . ?
B3 F31' 1.457(12) . ?
F31 F31' 0.691(13) . ?
B4 F41 1.246(14) . ?
B4 F46 1.279(14) . ?
B4 F44 1.309(12) . ?
B4 F45 1.322(13) . ?
B4 F48 1.363(13) . ?
B4 F42 1.394(13) . ?
B4 F43 1.445(13) . ?
B4 F47 1.469(14) . ?
F41 F47 1.222(16) . ?
F41 F43 1.386(15) . ?
F41 F44 1.438(14) . ?
F42 F48 0.786(15) . ?
F43 F47 0.908(17) . ?
F45 F46 0.634(17) . ?
F46 F47 1.761(17) . ?
B5 F52 1.025(14) . ?
B5 F51 1.263(16) . ?
B5 F56 1.319(17) . ?
B5 F57 1.484(18) . ?
B5 F53 1.50(2) . ?
B5 F54 1.553(18) . ?
B5 F58 1.59(3) . ?
B5 F55 1.92(2) . ?
F51 F52 0.773(15) . ?
F51 F55 1.685(15) . ?
F52 F58 1.75(3) . ?
F53 F57 0.742(9) . ?
F54 F56 0.720(14) . ?
F56 F58 1.41(3) . ?
B6 F63 1.222(10) . ?
B6 F62 1.228(14) . ?
B6 F66 1.300(13) . ?
B6 F68 1.319(11) . ?
B6 F64 1.357(11) . ?
B6 F65 1.390(11) . ?
B6 F67 1.460(18) . ?
B6 F61 1.517(11) . ?
F61 F62 0.736(12) . ?
F62 F68 1.673(13) . ?
F63 F67 1.094(18) . ?
F63 F65 1.197(11) . ?
F64 F66 1.376(12) . ?
F64 F65 1.431(10) . ?
F66 F68 1.129(12) . ?
F67 F68 1.570(18) . ?
B8 F85 1.379(19) . ?
B8 F84 1.405(15) . ?
B8 F81 1.43(2) . ?
B8 F82 1.436(14) . ?
B8 F88 1.44(2) . ?
B8 F86 1.456(13) . ?
B8 F87 1.472(11) . ?
B8 F83 1.473(13) . ?
F81 F82 1.59(3) . ?
F81 F84 1.64(3) . ?
F82 F87 0.888(14) . ?
F82 F83 1.251(16) . ?
F82 F88 1.33(3) . ?
F83 F88 1.28(4) . ?
F83 F85 1.66(2) . ?
F84 F86 0.914(16) . ?
F85 F86 1.51(2) . ?
F87 F88 1.27(4) . ?
O10 O11 1.402(17) . ?
B12 F123 0.99(2) . ?
B12 F124 1.311(19) . ?
B12 F122 1.40(3) . ?
B12 F121 1.62(2) . ?
F121 F124 0.90(2) . ?
B13 F136 1.36(2) . ?
B13 F133 1.38(2) . ?
B13 F134 1.386(19) . ?
B13 F135 1.40(2) . ?
B13 F131 1.457(14) . ?
B13 F132 1.501(14) . ?
F131 F135 0.74(3) . ?
F131 F134 1.08(2) . ?
F132 F136 0.96(4) . ?
F132 F133 1.18(3) . ?
F133 F136 1.35(4) . ?
F134 F135 1.36(3) . ?
Br1 C2Y 1.857(9) . ?
Br2 C10Y 1.985(9) . ?
Br3 C6Y 1.878(9) . ?
Br4 C12Y 1.823(11) . ?
O6Y C1Y 1.320(18) . ?
O5Y C5Y 1.36(2) . ?
O5Y C9Y 1.58(2) . ?
O4Y C11Y 1.229(15) . ?
C1Y C6Y 1.390(8) . ?
C1Y C2Y 1.394(8) . ?
C2Y C3Y 1.395(8) . ?
C3Y C4Y 1.389(8) . ?
C3Y H3YA 0.9500 . ?
C4Y C5Y 1.388(8) . ?
C4Y C7Y 1.42(3) . ?
C5Y C6Y 1.392(8) . ?
C7Y C14Y 1.38(3) . ?
C7Y C8Y 1.63(3) . ?
C8Y C13Y 1.392(8) . ?
C8Y C9Y 1.394(8) . ?
C9Y C10Y 1.398(8) . ?
C10Y C11Y 1.397(8) . ?
C11Y C12Y 1.392(8) . ?
C12Y C13Y 1.390(8) . ?
C13Y H13K 0.9500 . ?
C14Y C19Y 1.392(8) . ?
C14Y C15Y 1.392(8) . ?
C15Y C16Y 1.394(8) . ?
C15Y C1YY 1.586(11) . ?
C16Y C17Y 1.394(8) . ?
C16Y H16H 0.9500 . ?
C17Y C18Y 1.388(8) . ?
C17Y H17C 0.9500 . ?
C18Y C19Y 1.394(8) . ?
C18Y H18B 0.9500 . ?
C19Y H19B 0.9500 . ?
O2YY C1YY 1.315(15) . ?
O1YY C1YY 1.442(13) . ?
C853 O850 1.02(2) . ?
C853 C852 1.879(15) . ?
C852 C851 1.011(15) . ?
C852 O850 1.64(3) . ?
N760 C762 1.388(18) . ?
N760 C763 1.404(16) . ?
N760 C761 1.504(18) . ?
O760 C763 1.279(15) . ?
O700 C703 1.249(13) . ?
C701 N700 1.698(17) . ?
N700 C703 1.416(15) . ?
N700 C702 1.483(12) . ?
O720 C723 1.198(15) . ?
N720 C723 1.412(15) . ?
N720 C722 1.515(16) . ?
N720 C721 1.592(17) . ?
C732 N730 1.330(16) . ?
C731 N730 1.649(17) . ?
O730 O3W 0.927(14) . ?
O730 C733 1.23(2) . ?
C733 N730 1.30(2) . ?
C733 O3W 1.46(2) . ?
O770 C773 1.318(16) . ?
O770 N770 1.84(2) . ?
N770 C771 1.57(2) . ?
N770 C773 1.581(19) . ?
N770 C772 1.59(2) . ?
O780 C783 1.22(2) . ?
O780 O781 1.34(3) . ?
O781 C783 1.18(2) . ?
N780 C782 1.431(15) . ?
N780 C781 1.453(14) . ?
N780 C783 1.641(15) . ?
N790 C792 1.402(13) . ?
N790 C793 1.457(14) . ?
N790 C791 1.513(13) . ?
O790 C793 1.172(16) . ?
N810 C813 1.414(14) . ?
N810 C811 1.520(16) . ?
N810 C812 1.556(15) . ?
O810 C813 1.199(13) . ?
O820 C822 1.468(15) . ?
O820 C823 1.473(14) . ?
O820 C821 1.48(2) . ?
C821 C822 1.501(14) . ?
C822 O19W 1.53(2) . ?
C823 C824 1.447(13) . ?
C832 O830 0.884(15) . ?
C832 C833 1.954(19) . ?
O830 C833 1.078(15) . ?
O830 C831 1.337(15) . ?
O830 C834 1.740(15) . ?
C833 C834 0.692(19) . ?
O870 C873 1.317(14) . ?
C872 N870 1.485(17) . ?
C871 N870 1.654(18) . ?
N870 C873 1.418(14) . ?
N960 C963 1.441(14) . ?
N960 C961 1.522(14) . ?
N960 C962 1.542(17) . ?
O960 C963 1.208(18) . ?
O961 C961 1.203(14) . ?
O900 C902 1.32(2) . ?
O900 C903 1.60(3) . ?
C901 C902 1.56(2) . ?
C903 C904 1.39(3) . ?
C861 C862 1.521(13) . ?
C861 O860 1.919(12) . ?
O860 C863 1.459(13) . ?
O860 C862 1.506(14) . ?
C864 C863 1.485(14) . ?
O910 O30W 1.311(17) . ?
O910 O1G 1.383(15) . ?
O910 C913 1.726(19) . ?
C911 O1G 1.388(15) . ?
C913 O30W 1.193(15) . ?
C913 C914 1.465(16) . ?
C914 O31W 1.587(17) . ?
O7G O7G 0.866(8) 2_654 ?
O71 O73 0.60(2) . ?
O91 O27W 1.162(14) . ?
O6W O18W 0.78(2) . ?
O7W O8W 1.20(3) . ?
O10W O10W 0.638(16) 2_664 ?
O14W O15W 0.96(2) . ?
O20W O21W 0.665(14) . ?
O22W O26W 1.33(3) . ?
O710 C713 0.84(2) . ?
O710 C712 1.15(2) . ?
O710 C711 1.43(3) . ?
O710 N710 1.52(3) . ?
O711 C712 1.147(19) . ?
C713 C712 1.39(2) . ?
C713 N710 1.84(3) . ?
N710 C712 1.00(2) . ?
N710 C711 1.37(3) . ?
C712 C711 1.42(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N401 Zn1 N505 165.10(13) . . ?
N401 Zn1 N305 95.09(12) . . ?
N505 Zn1 N305 95.33(12) . . ?
N401 Zn1 N304 98.51(13) . . ?
N505 Zn1 N304 94.31(13) . . ?
N305 Zn1 N304 76.07(13) . . ?
N401 Zn1 N504 94.77(12) . . ?
N505 Zn1 N504 76.70(12) . . ?
N305 Zn1 N504 166.97(12) . . ?
N304 Zn1 N504 94.06(13) . . ?
N401 Zn1 N402 75.85(12) . . ?
N505 Zn1 N402 92.41(12) . . ?
N305 Zn1 N402 96.47(12) . . ?
N304 Zn1 N402 170.37(12) . . ?
N504 Zn1 N402 94.18(12) . . ?
N307 Zn2 N502 165.69(14) . . ?
N307 Zn2 N204 94.93(12) . . ?
N502 Zn2 N204 95.88(12) . . ?
N307 Zn2 N501 93.86(15) . . ?
N502 Zn2 N501 75.85(14) . . ?
N204 Zn2 N501 95.18(11) . . ?
N307 Zn2 N308 75.85(13) . . ?
N502 Zn2 N308 94.97(13) . . ?
N204 Zn2 N308 166.40(12) . . ?
N501 Zn2 N308 95.40(14) . . ?
N307 Zn2 N205 92.99(11) . . ?
N502 Zn2 N205 98.54(11) . . ?
N204 Zn2 N205 77.11(15) . . ?
N501 Zn2 N205 170.11(10) . . ?
N308 Zn2 N205 93.19(10) . . ?
N201 Zn3 N105 94.23(14) . . ?
N201 Zn3 N510 97.13(12) . . ?
N105 Zn3 N510 167.47(13) . . ?
N201 Zn3 N202 76.20(14) . . ?
N105 Zn3 N202 93.69(15) . . ?
N510 Zn3 N202 94.12(13) . . ?
N201 Zn3 N511 168.13(11) . . ?
N105 Zn3 N511 94.15(11) . . ?
N510 Zn3 N511 75.43(16) . . ?
N202 Zn3 N511 94.88(12) . . ?
N201 Zn3 N104 95.54(15) . . ?
N105 Zn3 N104 75.24(15) . . ?
N510 Zn3 N104 98.36(13) . . ?
N202 Zn3 N104 165.84(16) . . ?
N511 Zn3 N104 94.72(12) . . ?
N210 Zn4 N602 87.63(19) . . ?
N210 Zn4 N101 103.2(2) . . ?
N602 Zn4 N101 166.13(13) . . ?
N210 Zn4 N102 170.9(2) . . ?
N602 Zn4 N102 93.09(13) . . ?
N101 Zn4 N102 77.63(16) . . ?
N210 Zn4 N601 92.51(18) . . ?
N602 Zn4 N601 75.54(18) . . ?
N101 Zn4 N601 95.08(12) . . ?
N102 Zn4 N601 96.45(12) . . ?
N210 Zn4 N211 79.4(2) . . ?
N602 Zn4 N211 95.45(18) . . ?
N101 Zn4 N211 95.1(2) . . ?
N102 Zn4 N211 91.51(19) . . ?
N601 Zn4 N211 168.24(17) . . ?
N602 Zn4 N11B 101.8(4) . . ?
N101 Zn4 N11B 89.0(4) . . ?
N102 Zn4 N11B 92.8(3) . . ?
N601 Zn4 N11B 170.5(3) . . ?
N602 Zn4 N10B 100.8(3) . . ?
N101 Zn4 N10B 90.7(4) . . ?
N102 Zn4 N10B 161.0(3) . . ?
N601 Zn4 N10B 99.5(3) . . ?
N11B Zn4 N10B 71.8(4) . . ?
N310 Zn5 N311 84.1(2) . . ?
N310 Zn5 N208 175.4(2) . . ?
N311 Zn5 N208 95.11(16) . . ?
N310 Zn5 N611 88.8(2) . . ?
N311 Zn5 N611 93.97(12) . . ?
N208 Zn5 N611 95.76(17) . . ?
N310 Zn5 N610 89.41(17) . . ?
N311 Zn5 N610 168.15(14) . . ?
N208 Zn5 N610 92.15(16) . . ?
N611 Zn5 N610 75.96(18) . . ?
N310 Zn5 N207 98.3(2) . . ?
N311 Zn5 N207 91.66(12) . . ?
N208 Zn5 N207 77.2(2) . . ?
N611 Zn5 N207 171.40(12) . . ?
N610 Zn5 N207 99.08(13) . . ?
N311 Zn5 N10C 72.8(3) . . ?
N611 Zn5 N10C 98.4(3) . . ?
N610 Zn5 N10C 102.2(2) . . ?
N207 Zn5 N10C 89.5(3) . . ?
N311 Zn5 N08B 86.7(3) . . ?
N611 Zn5 N08B 97.9(3) . . ?
N610 Zn5 N08B 100.7(3) . . ?
N207 Zn5 N08B 75.9(4) . . ?
N10C Zn5 N08B 154.5(3) . . ?
N410 Zn6 N107 96.69(14) . . ?
N410 Zn6 N411 77.67(15) . . ?
N107 Zn6 N411 92.64(14) . . ?
N410 Zn6 N508 93.05(17) . . ?
N107 Zn6 N508 168.99(14) . . ?
N411 Zn6 N508 94.44(16) . . ?
N410 Zn6 N108 171.07(12) . . ?
N107 Zn6 N108 76.16(17) . . ?
N411 Zn6 N108 97.10(12) . . ?
N508 Zn6 N108 94.59(12) . . ?
N410 Zn6 N507 93.87(17) . . ?
N107 Zn6 N507 100.36(14) . . ?
N411 Zn6 N507 165.29(17) . . ?
N508 Zn6 N507 73.79(18) . . ?
N108 Zn6 N507 92.70(13) . . ?
N110 Zn7 N111 76.02(16) . . ?
N110 Zn7 N408 168.57(13) . . ?
N111 Zn7 N408 96.92(12) . . ?
N110 Zn7 N604 96.21(15) . . ?
N111 Zn7 N604 166.85(14) . . ?
N408 Zn7 N604 92.31(15) . . ?
N110 Zn7 N605 94.51(14) . . ?
N111 Zn7 N605 93.02(13) . . ?
N408 Zn7 N605 94.84(14) . . ?
N604 Zn7 N605 76.84(19) . . ?
N110 Zn7 N407 96.60(13) . . ?
N111 Zn7 N407 96.70(12) . . ?
N408 Zn7 N407 75.06(17) . . ?
N604 Zn7 N407 94.70(14) . . ?
N605 Zn7 N407 166.72(13) . . ?
N608 Zn8 N607 87.6(3) . . ?
N608 Zn8 N301 168.9(3) . . ?
N607 Zn8 N301 88.49(19) . . ?
N05D Zn8 N301 107.3(3) . . ?
N608 Zn8 N302 93.6(3) . . ?
N607 Zn8 N302 91.4(2) . . ?
N05D Zn8 N302 100.0(3) . . ?
N301 Zn8 N302 76.05(14) . . ?
N608 Zn8 N404 104.6(3) . . ?
N607 Zn8 N404 100.3(2) . . ?
N301 Zn8 N404 86.30(17) . . ?
N302 Zn8 N404 158.6(2) . . ?
N05D Zn8 N04D 77.6(4) . . ?
N301 Zn8 N04D 108.5(3) . . ?
N302 Zn8 N04D 175.3(3) . . ?
N608 Zn8 N405 95.4(2) . . ?
N607 Zn8 N405 173.3(2) . . ?
N301 Zn8 N405 89.57(15) . . ?
N302 Zn8 N405 94.34(19) . . ?
N404 Zn8 N405 73.3(2) . . ?
N05D Zn8 N07F 148.1(3) . . ?
N301 Zn8 N07F 103.56(17) . . ?
N302 Zn8 N07F 94.9(2) . . ?
N04D Zn8 N07F 85.4(3) . . ?
N05D Zn8 N08F 84.6(3) . . ?
N301 Zn8 N08F 166.3(2) . . ?
N302 Zn8 N08F 95.6(2) . . ?
N04D Zn8 N08F 80.2(3) . . ?
N07F Zn8 N08F 66.0(3) . . ?
C101 N101 C105 122.3(5) . . ?
C101 N101 Zn4 123.6(4) . . ?
C105 N101 Zn4 114.0(3) . . ?
C110 N102 C106 119.0(4) . . ?
C110 N102 Zn4 125.9(3) . . ?
C106 N102 Zn4 115.0(3) . . ?
C111 N103 C109 132.8(6) . . ?
C109 N103 C11A 119.7(7) . . ?
C109 N103 H10J 120.8 . . ?
C11A N103 H10J 119.5 . . ?
C111 N103 H10G 112.0 . . ?
C109 N103 H10G 115.1 . . ?
N101 C101 C102 118.8(6) . . ?
N101 C101 H10A 120.6 . . ?
C102 C101 H10A 120.6 . . ?
C103 C102 C101 122.6(6) . . ?
C103 C102 H10B 118.7 . . ?
C101 C102 H10B 118.7 . . ?
C102 C103 C104 116.9(6) . . ?
C102 C103 H10C 121.5 . . ?
C104 C103 H10C 121.5 . . ?
C105 C104 C103 118.8(5) . . ?
C105 C104 H10D 120.6 . . ?
C103 C104 H10D 120.6 . . ?
N101 C105 C104 120.5(5) . . ?
N101 C105 C106 118.1(4) . . ?
C104 C105 C106 121.4(5) . . ?
C107 C106 N102 117.8(4) . . ?
C107 C106 C105 127.1(4) . . ?
N102 C106 C105 115.1(4) . . ?
C106 C107 C108 124.3(5) . . ?
C106 C107 H10E 117.9 . . ?
C108 C107 H10E 117.9 . . ?
C107 C108 C109 116.2(5) . . ?
C107 C108 H10F 121.9 . . ?
C109 C108 H10F 121.9 . . ?
C110 C109 C108 118.0(5) . . ?
C110 C109 N103 121.3(5) . . ?
C108 C109 N103 120.6(5) . . ?
N102 C110 C109 124.7(5) . . ?
N102 C110 H11A 117.6 . . ?
C109 C110 H11A 117.6 . . ?
O101 C111 N103 123.0(8) . . ?
O101 C111 C112 118.7(8) . . ?
N103 C111 C112 117.8(8) . . ?
C113 C112 C117 125.2(7) . . ?
C113 C112 C111 118.6(7) . . ?
C117 C112 C111 114.5(7) . . ?
C112 C113 C114 117.0(8) . . ?
C112 C113 H11B 121.5 . . ?
C114 C113 H11B 121.5 . . ?
C115 C114 C113 122.9(8) . . ?
C115 C114 H11C 118.6 . . ?
C113 C114 H11C 118.6 . . ?
C116 C115 C114 116.1(8) . . ?
C116 C115 C10G 123.4(8) . . ?
C114 C115 C10G 120.5(8) . . ?
C115 C116 C117 126.3(8) . . ?
C115 C116 H11D 116.8 . . ?
C117 C116 H11D 116.8 . . ?
O01A C11A O1AA 63.9(15) . . ?
O01A C11A N103 126.3(16) . . ?
O1AA C11A N103 127.2(15) . . ?
O01A C11A C117 115.4(14) . . ?
O1AA C11A C117 120.5(14) . . ?
N103 C11A C117 101.5(8) . . ?
C11A O01A O1AA 60.4(12) . . ?
C11A O1AA O01A 55.7(11) . . ?
C117 C12A C13A 95.6(7) . . ?
C117 C12A H12A 132.2 . . ?
C13A C12A H12A 132.2 . . ?
C14A C13A C12A 139.8(9) . . ?
C14A C13A H13A 110.1 . . ?
C12A C13A H13A 110.1 . . ?
C11H C14A C13A 125.1(9) . . ?
C11H C14A C15A 133.3(10) . . ?
C13A C14A C15A 100.9(8) . . ?
C14A C15A C16A 137.7(8) . . ?
C14A C15A H15A 111.1 . . ?
C16A C15A H15A 111.1 . . ?
C117 C16A C15A 97.0(6) . . ?
C117 C16A H16A 131.5 . . ?
C15A C16A H16A 131.5 . . ?
C12A C117 C16A 143.5(7) . . ?
C112 C117 C116 109.8(6) . . ?
C12A C117 C11A 112.0(7) . . ?
C16A C117 C11A 96.8(7) . . ?
C112 C117 H11G 124.0 . . ?
C116 C117 H11G 126.1 . . ?
C122 N104 C118 120.2(5) . . ?
C122 N104 Zn3 117.4(3) . . ?
C118 N104 Zn3 122.4(4) . . ?
C127 N105 C123 116.4(4) . . ?
C127 N105 Zn3 126.0(3) . . ?
C123 N105 Zn3 117.6(3) . . ?
C28A N106 C126 124.4(7) . . ?
C126 N106 C128 126.2(7) . . ?
C28A N106 H10K 118.4 . . ?
C126 N106 H10K 117.1 . . ?
C126 N106 H10H 116.3 . . ?
C128 N106 H10H 117.4 . . ?
C119 C118 N104 121.0(6) . . ?
C119 C118 H11E 119.5 . . ?
N104 C118 H11E 119.5 . . ?
C120 C119 C118 118.6(6) . . ?
C120 C119 H11F 120.7 . . ?
C118 C119 H11F 120.7 . . ?
C119 C120 C121 121.9(6) . . ?
C119 C120 H12B 119.1 . . ?
C121 C120 H12B 119.1 . . ?
C122 C121 C120 113.8(6) . . ?
C122 C121 H12C 123.1 . . ?
C120 C121 H12C 123.1 . . ?
N104 C122 C121 124.4(5) . . ?
N104 C122 C123 117.9(5) . . ?
C121 C122 C123 117.6(5) . . ?
C124 C123 N105 121.0(5) . . ?
C124 C123 C122 127.2(5) . . ?
N105 C123 C122 111.8(5) . . ?
C125 C124 C123 122.6(6) . . ?
C125 C124 H12D 118.7 . . ?
C123 C124 H12D 118.7 . . ?
C124 C125 C126 118.3(6) . . ?
C124 C125 H12E 120.9 . . ?
C126 C125 H12E 120.9 . . ?
C127 C126 N106 123.8(5) . . ?
C127 C126 C125 117.8(5) . . ?
N106 C126 C125 118.2(5) . . ?
C126 C127 N105 123.9(5) . . ?
C126 C127 H12F 118.1 . . ?
N105 C127 H12F 118.1 . . ?
O102 C128 C129 127.3(14) . . ?
O102 C128 N106 119.8(13) . . ?
C129 C128 N106 112.8(11) . . ?
C130 C129 C128 123.1(11) . . ?
C130 C129 C134 114.7(10) . . ?
C128 C129 C134 119.6(11) . . ?
C129 C130 C131 122.0(10) . . ?
C129 C130 H13B 119.0 . . ?
C131 C130 H13B 119.0 . . ?
C132 C131 C130 114.8(9) . . ?
C132 C131 H13C 122.6 . . ?
C130 C131 H13C 122.6 . . ?
C133 C132 C131 124.8(9) . . ?
C133 C132 C11G 116.6(8) . . ?
C131 C132 C11G 118.0(8) . . ?
C132 C133 C134 114.8(9) . . ?
C132 C133 H13D 122.6 . . ?
C134 C133 H13D 122.6 . . ?
C129 C134 C133 123.6(11) . . ?
C129 C134 H13E 118.2 . . ?
C133 C134 H13E 118.2 . . ?
O02A C28A N106 125.6(10) . . ?
O02A C28A C29A 116.4(9) . . ?
N106 C28A C29A 114.5(8) . . ?
C30A C29A C34A 118.2(7) . . ?
C30A C29A C28A 125.2(7) . . ?
C34A C29A C28A 112.6(7) . . ?
C29A C30A C31A 120.9(8) . . ?
C29A C30A H30A 119.5 . . ?
C31A C30A H30A 119.5 . . ?
C32A C31A C30A 116.9(8) . . ?
C32A C31A H31A 121.5 . . ?
C30A C31A H31A 121.5 . . ?
C33A C32A C31A 124.2(8) . . ?
C33A C32A C11H 115.3(8) . . ?
C31A C32A C11H 118.8(9) . . ?
C34A C33A C32A 114.7(7) . . ?
C34A C33A H33A 122.6 . . ?
C32A C33A H33A 122.6 . . ?
C33A C34A C29A 122.6(8) . . ?
C33A C34A H34A 118.7 . . ?
C29A C34A H34A 118.7 . . ?
C135 N107 C139 121.9(5) . . ?
C135 N107 Zn6 123.9(4) . . ?
C139 N107 Zn6 114.1(4) . . ?
C140 N108 C144 121.5(5) . . ?
C140 N108 Zn6 113.7(4) . . ?
C144 N108 Zn6 124.4(4) . . ?
C145 N109 C143 126.8(8) . . ?
C143 N109 C45A 138.5(8) . . ?
C143 N109 H10L 110.7 . . ?
C45A N109 H10L 110.7 . . ?
C145 N109 H10I 115.3 . . ?
C143 N109 H10I 117.8 . . ?
N107 C135 C136 121.0(6) . . ?
N107 C135 H13F 119.5 . . ?
C136 C135 H13F 119.5 . . ?
C135 C136 C137 119.8(7) . . ?
C135 C136 H13G 120.1 . . ?
C137 C136 H13G 120.1 . . ?
C136 C137 C138 117.9(6) . . ?
C136 C137 H13H 121.0 . . ?
C138 C137 H13H 121.0 . . ?
C139 C138 C137 120.1(7) . . ?
C139 C138 H13I 120.0 . . ?
C137 C138 H13I 120.0 . . ?
N107 C139 C138 118.5(6) . . ?
N107 C139 C140 117.3(5) . . ?
C138 C139 C140 124.1(6) . . ?
N108 C140 C141 116.7(5) . . ?
N108 C140 C139 117.7(5) . . ?
C141 C140 C139 125.6(5) . . ?
C140 C141 C142 126.6(6) . . ?
C140 C141 H14A 116.7 . . ?
C142 C141 H14A 116.7 . . ?
C141 C142 C143 115.8(6) . . ?
C141 C142 H14B 122.1 . . ?
C143 C142 H14B 122.1 . . ?
C144 C143 N109 119.6(6) . . ?
C144 C143 C142 117.4(6) . . ?
N109 C143 C142 122.9(6) . . ?
N108 C144 C143 121.8(5) . . ?
N108 C144 H14C 119.1 . . ?
C143 C144 H14C 119.1 . . ?
C151 C146 C147 139.6(8) . . ?
C151 C146 C145 109.1(8) . . ?
C147 C146 C145 110.4(9) . . ?
C151 C146 C47A 95.1(10) . . ?
C151 C146 H14F 132.2 . . ?
C47A C146 H14F 132.7 . . ?
C50A C151 C146 154.6(13) . . ?
C50A C151 C45A 109.5(13) . . ?
C146 C151 C45A 94.7(8) . . ?
C146 C151 C150 105.7(7) . . ?
C146 C151 H15I 127.7 . . ?
C150 C151 H15I 126.6 . . ?
N109 C145 O03' 120.7(13) . . ?
N109 C145 O103 120.8(12) . . ?
O03' C145 O103 42.4(10) . . ?
N109 C145 C146 117.6(10) . . ?
O03' C145 C146 119.4(12) . . ?
O103 C145 C146 113.9(12) . . ?
O03' O103 C145 63.2(15) . . ?
O103 O03' C145 74.4(16) . . ?
C146 C147 C148 107.4(10) . . ?
C146 C147 H14D 126.3 . . ?
C148 C147 H14D 126.3 . . ?
C149 C148 C147 126.5(11) . . ?
C149 C148 H14E 116.7 . . ?
C147 C148 H14E 116.7 . . ?
C150 C149 C148 124.1(11) . . ?
C150 C149 C11G 117.4(10) . . ?
C148 C149 C11G 116.4(9) . . ?
C149 C150 C151 115.4(9) . . ?
C149 C150 H15B 122.3 . . ?
C151 C150 H15B 122.3 . . ?
N109 C45A O3AA 116.0(11) . . ?
N109 C45A C151 119.2(10) . . ?
O3AA C45A C151 124.7(11) . . ?
N109 C45A O03A 110.4(10) . . ?
O3AA C45A O03A 28.0(8) . . ?
C151 C45A O03A 123.5(11) . . ?
O3AA O03A C45A 70(2) . . ?
O03A O3AA C45A 82(2) . . ?
C48A C47A C146 121.7(18) . . ?
C48A C47A H47A 119.1 . . ?
C146 C47A H47A 119.1 . . ?
C10H C48A C49A 115.0(18) . . ?
C10H C48A C47A 123.6(19) . . ?
C49A C48A C47A 117.9(19) . . ?
C48A C49A C50A 115.7(19) . . ?
C48A C49A H49A 122.1 . . ?
C50A C49A H49A 122.1 . . ?
C151 C50A C49A 110.3(19) . . ?
C151 C50A H50A 124.9 . . ?
C49A C50A H50A 124.9 . . ?
C11H C10H C48A 119.5(15) . . ?
C11H C10H C166 110.7(11) . . ?
C48A C10H C166 127.0(13) . . ?
C14A C11H C10H 121.3(14) . . ?
C14A C11H C32A 116.4(12) . . ?
C10H C11H C32A 122.1(13) . . ?
C11G C10G C166 120.2(10) . . ?
C11G C10G C115 123.8(10) . . ?
C166 C10G C115 116.0(8) . . ?
C10G C11G C132 124.6(9) . . ?
C10G C11G C149 120.4(10) . . ?
C132 C11G C149 115.0(8) . . ?
C156 N110 C152 114.5(5) . . ?
C156 N110 Zn7 118.9(3) . . ?
C152 N110 Zn7 126.6(4) . . ?
C157 N111 C161 119.7(4) . . ?
C157 N111 Zn7 114.5(3) . . ?
C161 N111 Zn7 125.8(3) . . ?
C162 N112 C160 130.5(5) . . ?
C162 N112 H11H 114.8 . . ?
C160 N112 H11H 114.8 . . ?
N110 C152 C153 121.6(6) . . ?
N110 C152 H15C 119.2 . . ?
C153 C152 H15C 119.2 . . ?
C154 C153 C152 122.8(7) . . ?
C154 C153 H15D 118.6 . . ?
C152 C153 H15D 118.6 . . ?
C153 C154 C155 117.4(6) . . ?
C153 C154 H15E 121.3 . . ?
C155 C154 H15E 121.3 . . ?
C156 C155 C154 119.4(5) . . ?
C156 C155 H15F 120.3 . . ?
C154 C155 H15F 120.3 . . ?
C155 C156 N110 124.2(5) . . ?
C155 C156 C157 124.1(5) . . ?
N110 C156 C157 111.7(4) . . ?
N111 C157 C158 118.5(5) . . ?
N111 C157 C156 118.9(4) . . ?
C158 C157 C156 122.7(5) . . ?
C159 C158 C157 122.3(5) . . ?
C159 C158 H15G 118.8 . . ?
C157 C158 H15G 118.8 . . ?
C158 C159 C160 117.9(5) . . ?
C158 C159 H15H 121.0 . . ?
C160 C159 H15H 121.0 . . ?
C161 C160 C159 120.1(5) . . ?
C161 C160 N112 117.0(4) . . ?
C159 C160 N112 122.9(4) . . ?
N111 C161 C160 121.3(4) . . ?
N111 C161 H16B 119.3 . . ?
C160 C161 H16B 119.3 . . ?
O104 C162 N112 123.5(6) . . ?
O104 C162 C163 117.4(6) . . ?
N112 C162 C163 119.1(5) . . ?
C164 C163 C168 123.1(7) . . ?
C164 C163 C162 118.2(6) . . ?
C168 C163 C162 118.6(6) . . ?
C163 C164 C165 122.6(8) . . ?
C163 C164 H16C 118.7 . . ?
C165 C164 H16C 118.7 . . ?
C164 C165 C166 116.7(7) . . ?
C164 C165 H16D 121.6 . . ?
C166 C165 H16D 121.6 . . ?
C167 C166 C165 119.3(6) . . ?
C167 C166 C10H 98.4(7) . . ?
C165 C166 C10H 138.5(8) . . ?
C167 C166 C10G 135.5(8) . . ?
C165 C166 C10G 105.1(7) . . ?
C166 C167 C168 123.2(7) . . ?
C166 C167 H16E 118.4 . . ?
C168 C167 H16E 118.4 . . ?
C163 C168 C167 114.1(6) . . ?
C163 C168 H16F 122.9 . . ?
C167 C168 H16F 122.9 . . ?
C201 N201 C205 116.3(4) . . ?
C201 N201 Zn3 126.1(3) . . ?
C205 N201 Zn3 117.6(3) . . ?
C206 N202 C210 118.3(4) . . ?
C206 N202 Zn3 116.8(3) . . ?
C210 N202 Zn3 124.7(3) . . ?
C211 N203 C209 127.7(6) . . ?
C211 N203 H20G 116.2 . . ?
C209 N203 H20G 116.2 . . ?
N201 C201 C202 121.8(5) . . ?
N201 C201 H20A 119.1 . . ?
C202 C201 H20A 119.1 . . ?
C203 C202 C201 119.2(5) . . ?
C203 C202 H20B 120.4 . . ?
C201 C202 H20B 120.4 . . ?
C202 C203 C204 120.6(5) . . ?
C202 C203 H20C 119.7 . . ?
C204 C203 H20C 119.7 . . ?
C205 C204 C203 118.9(5) . . ?
C205 C204 H20D 120.6 . . ?
C203 C204 H20D 120.6 . . ?
C204 C205 N201 123.0(4) . . ?
C204 C205 C206 125.2(5) . . ?
N201 C205 C206 111.9(4) . . ?
N202 C206 C207 124.2(5) . . ?
N202 C206 C205 117.0(4) . . ?
C207 C206 C205 118.6(5) . . ?
C208 C207 C206 120.1(6) . . ?
C208 C207 H20E 119.9 . . ?
C206 C207 H20E 119.9 . . ?
C207 C208 C209 115.5(6) . . ?
C207 C208 H20F 122.3 . . ?
C209 C208 H20F 122.3 . . ?
C210 C209 C208 120.5(5) . . ?
C210 C209 N203 117.2(5) . . ?
C208 C209 N203 122.2(6) . . ?
N202 C210 C209 121.2(5) . . ?
N202 C210 H21A 119.4 . . ?
C209 C210 H21A 119.4 . . ?
O01B O201 C211 100.8(19) . . ?
O201 O01B C211 44.2(14) . . ?
O201 C211 N203 119.6(7) . . ?
O201 C211 C217 122.6(7) . . ?
N203 C211 C217 117.2(7) . . ?
O201 C211 O01B 35.0(10) . . ?
N203 C211 O01B 129.4(12) . . ?
C217 C211 O01B 98.9(11) . . ?
C217 C212 C213 121.1(8) . . ?
C217 C212 H21B 119.4 . . ?
C213 C212 H21B 119.4 . . ?
C214 C213 C212 124.6(8) . . ?
C214 C213 H21C 117.7 . . ?
C212 C213 H21C 117.7 . . ?
C213 C214 C215 120.0(6) . . ?
C213 C214 C21G 123.3(6) . . ?
C215 C214 C21G 116.5(6) . . ?
C216 C215 C214 110.9(7) . . ?
C216 C215 H21D 124.5 . . ?
C214 C215 H21D 124.5 . . ?
C217 C216 C215 123.0(7) . . ?
C217 C216 H21E 118.5 . . ?
C215 C216 H21E 118.5 . . ?
C212 C217 C216 120.2(7) . . ?
C212 C217 C211 117.3(7) . . ?
C216 C217 C211 122.4(6) . . ?
C218 N204 C222 118.8(5) . . ?
C218 N204 Zn2 125.4(4) . . ?
C222 N204 Zn2 115.4(3) . . ?
C227 N205 C223 118.3(4) . . ?
C227 N205 Zn2 126.2(3) . . ?
C223 N205 Zn2 114.9(3) . . ?
C228 N206 C226 125.8(5) . . ?
C228 N206 H20H 117.1 . . ?
C226 N206 H20H 117.1 . . ?
N204 C218 C219 121.6(5) . . ?
N204 C218 H21F 119.2 . . ?
C219 C218 H21F 119.2 . . ?
C218 C219 C220 122.6(6) . . ?
C218 C219 H21G 118.7 . . ?
C220 C219 H21G 118.7 . . ?
C219 C220 C221 114.9(6) . . ?
C219 C220 H22A 122.5 . . ?
C221 C220 H22A 122.5 . . ?
C222 C221 C220 118.4(5) . . ?
C222 C221 H22B 120.8 . . ?
C220 C221 H22B 120.8 . . ?
N204 C222 C221 122.9(5) . . ?
N204 C222 C223 116.9(5) . . ?
C221 C222 C223 120.2(5) . . ?
C224 C223 N205 120.1(5) . . ?
C224 C223 C222 124.7(5) . . ?
N205 C223 C222 115.2(5) . . ?
C223 C224 C225 122.6(6) . . ?
C223 C224 H22C 118.7 . . ?
C225 C224 H22C 118.7 . . ?
C224 C225 C226 118.4(6) . . ?
C224 C225 H22D 120.8 . . ?
C226 C225 H22D 120.8 . . ?
C227 C226 C225 116.2(5) . . ?
C227 C226 N206 118.7(5) . . ?
C225 C226 N206 125.1(5) . . ?
N205 C227 C226 124.4(5) . . ?
N205 C227 H22E 117.8 . . ?
C226 C227 H22E 117.8 . . ?
O202 C228 N206 126.6(7) . . ?
N206 C228 O02B 118.1(8) . . ?
O202 C228 C229 122.3(7) . . ?
N206 C228 C229 111.2(5) . . ?
O02B C228 C229 117.9(8) . . ?
C234 C229 C230 122.2(7) . . ?
C234 C229 C228 123.8(6) . . ?
C230 C229 C228 113.8(6) . . ?
C229 C230 C231 120.4(7) . . ?
C229 C230 H23A 119.8 . . ?
C231 C230 H23A 119.8 . . ?
C232 C231 C230 122.3(7) . . ?
C232 C231 H23B 118.9 . . ?
C230 C231 H23B 118.9 . . ?
C231 C232 C233 120.6(6) . . ?
C231 C232 C20G 126.9(6) . . ?
C233 C232 C20G 112.2(6) . . ?
C232 C233 C234 115.9(6) . . ?
C232 C233 H23C 122.0 . . ?
C234 C233 H23C 122.0 . . ?
C229 C234 C233 118.2(6) . . ?
C229 C234 H23D 120.9 . . ?
C233 C234 H23D 120.9 . . ?
C21G C20G C249 116.4(8) . . ?
C21G C20G C232 120.1(6) . . ?
C249 C20G C232 123.1(7) . . ?
C21G C20G C48B 122.3(9) . . ?
C232 C20G C48B 117.4(8) . . ?
C20G C21G C266 126.4(6) . . ?
C20G C21G C214 125.4(7) . . ?
C266 C21G C214 107.8(6) . . ?
C239 N207 C235 118.9(4) . . ?
C239 N207 Zn5 114.3(3) . . ?
C235 N207 Zn5 125.8(4) . . ?
N207 C235 C236 123.3(5) . . ?
N207 C235 H23E 118.3 . . ?
C236 C235 H23E 118.3 . . ?
C235 C236 C237 119.8(5) . . ?
C235 C236 H23F 120.1 . . ?
C237 C236 H23F 120.1 . . ?
C236 C237 C238 117.7(5) . . ?
C236 C237 H23G 121.1 . . ?
C238 C237 H23G 121.1 . . ?
C239 C238 C237 118.4(5) . . ?
C239 C238 H23H 120.8 . . ?
C237 C238 H23H 120.8 . . ?
N207 C239 C238 121.8(4) . . ?
N207 C239 C40B 116.3(8) . . ?
C238 C239 C40B 120.9(8) . . ?
N207 C239 C240 116.1(5) . . ?
C238 C239 C240 122.1(5) . . ?
C244 N208 C240 119.7(7) . . ?
C244 N208 Zn5 125.1(5) . . ?
C240 N208 Zn5 115.0(5) . . ?
C245 N209 C243 130.5(8) . . ?
C245 N209 H20I 114.7 . . ?
C243 N209 H20I 114.7 . . ?
N208 C240 C241 119.4(7) . . ?
N208 C240 C239 115.8(7) . . ?
C241 C240 C239 124.7(7) . . ?
C242 C241 C240 121.0(7) . . ?
C242 C241 H24A 119.5 . . ?
C240 C241 H24A 119.5 . . ?
C241 C242 C243 115.8(7) . . ?
C241 C242 H24B 122.1 . . ?
C243 C242 H24B 122.1 . . ?
N208 C244 C243 120.4(7) . . ?
N208 C244 H24C 119.8 . . ?
C243 C244 H24C 119.8 . . ?
O23' O203 C245 65.7(16) . . ?
O203 O23' C245 81.7(17) . . ?
O3BB O03B C45B 37.5(15) . . ?
C45B O3BB O03B 103(2) . . ?
C45B N09B C243 124.7(13) . . ?
C45B N09B H09A 117.6 . . ?
C243 N09B H09A 117.6 . . ?
C44B N08B C40B 122.2(15) . . ?
C44B N08B Zn5 123.4(12) . . ?
C40B N08B Zn5 113.9(11) . . ?
N08B C40B C41B 117.1(15) . . ?
N08B C40B C239 119.2(14) . . ?
C41B C40B C239 123.4(14) . . ?
C42B C41B C40B 122.3(17) . . ?
C42B C41B H41A 118.9 . . ?
C40B C41B H41A 118.9 . . ?
C41B C42B C243 119.2(15) . . ?
C41B C42B H42A 120.4 . . ?
C243 C42B H42A 120.4 . . ?
N08B C44B C243 123.0(15) . . ?
N08B C44B H44A 118.5 . . ?
C243 C44B H44A 118.5 . . ?
C244 C243 C242 120.9(6) . . ?
N09B C243 C44B 117.5(10) . . ?
C244 C243 N209 115.5(6) . . ?
C242 C243 N209 118.6(6) . . ?
N09B C243 C42B 118.5(10) . . ?
C44B C243 C42B 106.5(10) . . ?
C251 C246 C247 135.3(8) . . ?
C51B C246 C47B 115.4(5) . . ?
C251 C246 C245 119.1(7) . . ?
C247 C246 C245 105.6(7) . . ?
C51B C246 H24F 114.8 . . ?
C47B C246 H24F 128.6 . . ?
N209 C245 O23' 119.3(9) . . ?
N209 C245 O203 123.5(9) . . ?
O23' C245 O203 32.6(8) . . ?
N209 C245 C246 115.9(8) . . ?
O23' C245 C246 122.0(10) . . ?
O203 C245 C246 117.8(9) . . ?
C246 C247 C248 109.4(9) . . ?
C246 C247 H24D 125.3 . . ?
C248 C247 H24D 125.3 . . ?
C249 C248 C247 120.2(10) . . ?
C249 C248 H24E 119.9 . . ?
C247 C248 H24E 119.9 . . ?
C250 C249 C20G 125.9(11) . . ?
C250 C249 C248 119.6(10) . . ?
C20G C249 C248 111.9(9) . . ?
C249 C250 C251 115.6(11) . . ?
C249 C250 H25A 122.2 . . ?
C251 C250 H25A 122.2 . . ?
C246 C251 C250 119.5(10) . . ?
C246 C251 H25B 120.2 . . ?
C250 C251 H25B 120.2 . . ?
O3BB C45B N09B 131.2(19) . . ?
O3BB C45B C51B 119.4(18) . . ?
N09B C45B C51B 102.1(14) . . ?
O3BB C45B O03B 39.4(15) . . ?
N09B C45B O03B 136.7(14) . . ?
C51B C45B O03B 117.4(14) . . ?
C48B C47B C246 121.7(6) . . ?
C48B C47B H47B 119.2 . . ?
C246 C47B H47B 119.2 . . ?
C49B C48B C47B 116.4(6) . . ?
C49B C48B C20G 111.4(6) . . ?
C47B C48B C20G 132.1(6) . . ?
C50B C49B C48B 118.5(6) . . ?
C50B C49B H49B 120.8 . . ?
C48B C49B H49B 120.8 . . ?
C51B C50B C49B 113.9(7) . . ?
C51B C50B H50B 123.0 . . ?
C49B C50B H50B 123.0 . . ?
C246 C51B C50B 122.3(6) . . ?
C246 C51B C45B 109.5(8) . . ?
C50B C51B C45B 115.9(10) . . ?
C261 N211 C257 118.7(6) . . ?
C261 N211 Zn4 126.7(4) . . ?
C257 N211 Zn4 113.7(5) . . ?
C252 N210 C256 117.4(6) . . ?
C252 N210 Zn4 129.0(5) . . ?
C256 N210 Zn4 113.6(5) . . ?
N210 C252 C253 120.7(7) . . ?
N210 C252 H25C 119.6 . . ?
C253 C252 H25C 119.6 . . ?
C252 C253 C254 124.0(8) . . ?
C252 C253 H25D 118.0 . . ?
C254 C253 H25D 118.0 . . ?
C255 C254 C253 114.8(7) . . ?
C255 C254 H25E 122.6 . . ?
C253 C254 H25E 122.6 . . ?
C254 C255 C256 121.6(7) . . ?
C254 C255 H25F 119.2 . . ?
C256 C255 H25F 119.2 . . ?
C255 C256 N210 120.9(7) . . ?
C255 C256 C257 119.3(7) . . ?
N210 C256 C257 119.7(6) . . ?
C258 C257 N211 119.7(7) . . ?
C258 C257 C256 127.2(7) . . ?
N211 C257 C256 112.4(6) . . ?
C257 C258 C259 121.8(8) . . ?
C257 C258 H25G 119.1 . . ?
C259 C258 H25G 119.1 . . ?
C260 C259 C258 116.7(7) . . ?
C260 C259 H25H 121.6 . . ?
C258 C259 H25H 121.6 . . ?
C52B N10B C56B 115.1(10) . . ?
C52B N10B Zn4 121.8(8) . . ?
C56B N10B Zn4 118.9(8) . . ?
C57B N11B C261 122.6(10) . . ?
C57B N11B Zn4 115.4(8) . . ?
C261 N11B Zn4 121.3(7) . . ?
C53B C52B N10B 121.5(11) . . ?
C53B C52B H52A 119.3 . . ?
N10B C52B H52A 119.3 . . ?
C52B C53B C54B 120.3(12) . . ?
C52B C53B H53A 119.8 . . ?
C54B C53B H53A 119.8 . . ?
C53B C54B C55B 118.8(12) . . ?
C53B C54B H54A 120.6 . . ?
C55B C54B H54A 120.6 . . ?
C54B C55B C56B 116.6(11) . . ?
C54B C55B H55A 121.7 . . ?
C56B C55B H55A 121.7 . . ?
C55B C56B C57B 127.0(11) . . ?
C55B C56B N10B 122.2(11) . . ?
C57B C56B N10B 110.3(10) . . ?
C58B C57B N11B 117.5(11) . . ?
C58B C57B C56B 120.7(11) . . ?
N11B C57B C56B 121.0(11) . . ?
C58B C59B C260 115.6(11) . . ?
C58B C59B H59A 122.2 . . ?
C260 C59B H59A 122.2 . . ?
C57B C58B C59B 120.3(12) . . ?
C57B C58B H58A 119.8 . . ?
C59B C58B H58A 119.8 . . ?
C262 N212 C260 132.1(6) . . ?
C262 N212 H21H 113.9 . . ?
C260 N212 H21H 113.9 . . ?
C261 C260 C259 119.4(6) . . ?
C261 C260 C59B 119.4(7) . . ?
C261 C260 N212 118.1(5) . . ?
C259 C260 N212 121.5(6) . . ?
C59B C260 N212 116.9(7) . . ?
N211 C261 C260 122.1(5) . . ?
C260 C261 N11B 117.5(6) . . ?
N211 C261 H26A 118.9 . . ?
C260 C261 H26A 118.9 . . ?
N212 C262 O204 120.4(8) . . ?
N212 C262 C263 119.7(6) . . ?
O204 C262 C263 119.5(7) . . ?
N212 C262 O04B 108.6(8) . . ?
C263 C262 O04B 115.3(9) . . ?
C268 C263 C264 122.3(8) . . ?
C268 C263 C262 120.3(7) . . ?
C264 C263 C262 117.4(7) . . ?
C265 C264 C263 116.7(8) . . ?
C265 C264 H26B 121.6 . . ?
C263 C264 H26B 121.6 . . ?
C264 C265 C266 123.3(8) . . ?
C264 C265 H26C 118.4 . . ?
C266 C265 H26C 118.4 . . ?
C267 C266 C265 117.9(7) . . ?
C267 C266 C21G 121.2(6) . . ?
C265 C266 C21G 120.7(7) . . ?
C266 C267 C268 121.3(7) . . ?
C266 C267 H26D 119.3 . . ?
C268 C267 H26D 119.3 . . ?
C263 C268 C267 118.1(7) . . ?
C263 C268 H26E 120.9 . . ?
C267 C268 H26E 120.9 . . ?
C305 N301 C301 113.5(4) . . ?
C305 N301 Zn8 118.2(3) . . ?
C301 N301 Zn8 128.1(3) . . ?
C306 N302 C310 121.6(5) . . ?
C306 N302 Zn8 113.2(4) . . ?
C310 N302 Zn8 124.6(4) . . ?
C311 N303 C309 135.7(7) . . ?
C11C N303 C309 131.5(7) . . ?
C11C N303 H30K 113.6 . . ?
C309 N303 H30K 114.8 . . ?
C311 N303 H30J 112.3 . . ?
C309 N303 H30J 112.0 . . ?
C302 C301 N301 122.1(7) . . ?
C302 C301 H30B 119.0 . . ?
N301 C301 H30B 119.0 . . ?
C301 C302 C303 127.2(8) . . ?
C301 C302 H30C 116.4 . . ?
C303 C302 H30C 116.4 . . ?
C302 C303 C304 111.1(7) . . ?
C302 C303 H30D 124.5 . . ?
C304 C303 H30D 124.5 . . ?
C305 C304 C303 123.5(7) . . ?
C305 C304 H30E 118.2 . . ?
C303 C304 H30E 118.2 . . ?
N301 C305 C304 122.5(6) . . ?
N301 C305 C306 111.8(5) . . ?
C304 C305 C306 125.6(7) . . ?
N302 C306 C307 119.0(5) . . ?
N302 C306 C305 120.0(6) . . ?
C307 C306 C305 120.9(6) . . ?
C308 C307 C306 122.2(6) . . ?
C308 C307 H30F 118.9 . . ?
C306 C307 H30F 118.9 . . ?
C307 C308 C309 117.0(6) . . ?
C307 C308 H30G 121.5 . . ?
C309 C308 H30G 121.5 . . ?
C310 C309 N303 120.5(5) . . ?
C310 C309 C308 118.3(5) . . ?
N303 C309 C308 121.1(5) . . ?
N302 C310 C309 121.8(5) . . ?
N302 C310 H31B 119.1 . . ?
C309 C310 H31B 119.1 . . ?
C317 C312 C313 151.6(8) . . ?
C313 C312 C17C 96.4(5) . . ?
C317 C312 C311 114.2(8) . . ?
C313 C312 C311 94.2(5) . . ?
C313 C312 H31H 129.2 . . ?
C17C C312 H31H 134.4 . . ?
C312 C313 C14C 147.0(6) . . ?
C312 C313 C314 98.0(6) . . ?
C312 C313 C11C 97.2(6) . . ?
C14C C313 C11C 115.7(6) . . ?
C312 C313 H31J 132.8 . . ?
C314 C313 H31J 129.2 . . ?
N303 C311 O301 120.8(9) . . ?
N303 C311 C312 128.3(9) . . ?
O301 C311 C312 110.8(7) . . ?
C315 C314 C313 115.7(10) . . ?
C315 C314 H31C 122.2 . . ?
C313 C314 H31C 122.2 . . ?
C314 C315 C316 122.4(10) . . ?
C314 C315 C30H 114.0(10) . . ?
C316 C315 C30H 122.0(9) . . ?
C314 C315 C31H 127.9(10) . . ?
C316 C315 C31H 106.3(9) . . ?
C30H C315 C31H 35.0(6) . . ?
C315 C316 C317 124.7(10) . . ?
C315 C316 H31D 117.6 . . ?
C317 C316 H31D 117.6 . . ?
C312 C317 C316 106.4(10) . . ?
C312 C317 H31E 126.8 . . ?
C316 C317 H31E 126.8 . . ?
O1CC C11C N303 107.6(13) . . ?
O1CC C11C O01C 65.2(11) . . ?
N303 C11C O01C 119.2(11) . . ?
O1CC C11C C313 110.6(12) . . ?
N303 C11C C313 117.1(9) . . ?
O01C C11C C313 121.6(12) . . ?
O1CC O01C C11C 48.7(8) . . ?
C11C O1CC O01C 66.2(11) . . ?
C313 C14C C15C 98.5(6) . . ?
C313 C14C H14G 130.8 . . ?
C15C C14C H14G 130.8 . . ?
C14C C15C C16C 137.8(8) . . ?
C14C C15C H15J 111.1 . . ?
C16C C15C H15J 111.1 . . ?
C17C C16C C15C 100.8(7) . . ?
C17C C16C C31H 133.6(8) . . ?
C15C C16C C31H 122.7(8) . . ?
C17C C16C C30H 142.2(11) . . ?
C15C C16C C30H 109.1(8) . . ?
C31H C16C C30H 38.6(7) . . ?
C16C C17C C312 139.1(8) . . ?
C16C C17C H17A 110.5 . . ?
C312 C17C H17A 110.5 . . ?
C322 N304 C318 119.7(4) . . ?
C322 N304 Zn1 115.7(3) . . ?
C318 N304 Zn1 124.6(3) . . ?
C323 N305 C327 120.9(4) . . ?
C323 N305 Zn1 114.9(3) . . ?
C327 N305 Zn1 123.9(3) . . ?
C328 N306 C326 131.4(5) . . ?
C328 N306 H30H 114.3 . . ?
C326 N306 H30H 114.3 . . ?
N304 C318 C319 122.7(5) . . ?
N304 C318 H31F 118.6 . . ?
C319 C318 H31F 118.6 . . ?
C318 C319 C320 116.3(5) . . ?
C318 C319 H31G 121.8 . . ?
C320 C319 H31G 121.8 . . ?
C321 C320 C319 121.2(5) . . ?
C321 C320 H32A 119.4 . . ?
C319 C320 H32A 119.4 . . ?
C320 C321 C322 118.3(5) . . ?
C320 C321 H32B 120.8 . . ?
C322 C321 H32B 120.8 . . ?
N304 C322 C321 121.7(4) . . ?
N304 C322 C323 115.3(4) . . ?
C321 C322 C323 123.0(4) . . ?
N305 C323 C324 119.2(4) . . ?
N305 C323 C322 117.9(4) . . ?
C324 C323 C322 122.8(4) . . ?
C325 C324 C323 122.0(5) . . ?
C325 C324 H32C 119.0 . . ?
C323 C324 H32C 119.0 . . ?
C324 C325 C326 118.0(5) . . ?
C324 C325 H32D 121.0 . . ?
C326 C325 H32D 121.0 . . ?
C327 C326 C325 117.6(4) . . ?
C327 C326 N306 117.7(4) . . ?
C325 C326 N306 124.6(4) . . ?
N305 C327 C326 122.2(4) . . ?
N305 C327 H32E 118.9 . . ?
C326 C327 H32E 118.9 . . ?
O302 C328 N306 118.9(6) . . ?
O302 C328 C329 119.4(5) . . ?
N306 C328 C329 121.4(5) . . ?
C334 C329 C330 122.6(6) . . ?
C334 C329 C328 118.8(6) . . ?
C330 C329 C328 118.4(5) . . ?
C329 C330 C331 117.7(5) . . ?
C329 C330 H33B 121.2 . . ?
C331 C330 H33B 121.2 . . ?
C332 C331 C330 118.4(7) . . ?
C332 C331 H33C 120.8 . . ?
C330 C331 H33C 120.8 . . ?
C333 C332 C331 121.4(7) . . ?
C333 C332 C30H 128.4(8) . . ?
C331 C332 C30H 108.8(8) . . ?
C333 C332 C31G 99.2(7) . . ?
C331 C332 C31G 136.6(8) . . ?
C30H C332 C31G 40.0(6) . . ?
C332 C333 C334 124.2(7) . . ?
C332 C333 H33D 117.9 . . ?
C334 C333 H33D 117.9 . . ?
C329 C334 C333 115.5(7) . . ?
C329 C334 H33E 122.2 . . ?
C333 C334 H33E 122.2 . . ?
C339 N307 C335 117.6(4) . . ?
C339 N307 Zn2 116.5(3) . . ?
C335 N307 Zn2 125.8(3) . . ?
C340 N308 C344 119.2(4) . . ?
C340 N308 Zn2 115.4(3) . . ?
C344 N308 Zn2 125.4(3) . . ?
C345 N309 C343 131.6(5) . . ?
C345 N309 H30I 114.2 . . ?
C343 N309 H30I 114.2 . . ?
N307 C335 C336 123.8(5) . . ?
N307 C335 H33F 118.1 . . ?
C336 C335 H33F 118.1 . . ?
C337 C336 C335 117.3(5) . . ?
C337 C336 H33G 121.3 . . ?
C335 C336 H33G 121.3 . . ?
C336 C337 C338 121.3(5) . . ?
C336 C337 H33H 119.4 . . ?
C338 C337 H33H 119.4 . . ?
C339 C338 C337 116.9(5) . . ?
C339 C338 H33I 121.6 . . ?
C337 C338 H33I 121.6 . . ?
N307 C339 C338 123.0(4) . . ?
N307 C339 C340 117.6(4) . . ?
C338 C339 C340 119.4(4) . . ?
N308 C340 C341 121.7(4) . . ?
N308 C340 C339 114.7(4) . . ?
C341 C340 C339 123.6(4) . . ?
C340 C341 C342 119.1(4) . . ?
C340 C341 H34B 120.4 . . ?
C342 C341 H34B 120.4 . . ?
C341 C342 C343 118.7(4) . . ?
C341 C342 H34C 120.7 . . ?
C343 C342 H34C 120.7 . . ?
C344 C343 N309 120.4(4) . . ?
C344 C343 C342 118.5(4) . . ?
N309 C343 C342 121.1(4) . . ?
N308 C344 C343 122.8(4) . . ?
N308 C344 H34D 118.6 . . ?
C343 C344 H34D 118.6 . . ?
N309 C345 O303 123.5(5) . . ?
N309 C345 C346 120.3(5) . . ?
O303 C345 C346 116.1(5) . . ?
C351 C346 C347 129.9(6) . . ?
C351 C346 C345 116.1(6) . . ?
C347 C346 C345 114.0(5) . . ?
C348 C347 C346 110.6(7) . . ?
C348 C347 H34E 124.7 . . ?
C346 C347 H34E 124.7 . . ?
C347 C348 C349 122.7(9) . . ?
C347 C348 H34F 118.7 . . ?
C349 C348 H34F 118.7 . . ?
C350 C349 C348 126.9(7) . . ?
C350 C349 C31G 109.7(8) . . ?
C348 C349 C31G 121.9(8) . . ?
C350 C349 C30G 129.0(9) . . ?
C348 C349 C30G 100.7(8) . . ?
C31G C349 C30G 38.7(6) . . ?
C349 C350 C351 110.8(8) . . ?
C349 C350 H35A 124.6 . . ?
C351 C350 H35A 124.6 . . ?
C346 C351 C350 118.5(7) . . ?
C346 C351 H35B 120.8 . . ?
C350 C351 H35B 120.8 . . ?
C361 N311 C357 119.5(5) . . ?
C361 N311 Zn5 127.3(4) . . ?
C357 N311 Zn5 113.2(4) . . ?
C62C N312 C360 134.0(8) . . ?
C362 N312 C360 129.7(7) . . ?
C62C N312 H31K 111.1 . . ?
C360 N312 H31K 114.9 . . ?
C362 N312 H31I 114.5 . . ?
C360 N312 H31I 115.8 . . ?
C31H C30G C31G 89.3(16) . . ?
C31H C30G C366 76.1(14) . . ?
C31G C30G C366 165.4(16) . . ?
C31H C30G C30H 44.6(12) . . ?
C31G C30G C30H 47.0(10) . . ?
C366 C30G C30H 119.2(13) . . ?
C31H C30G C67C 79.8(14) . . ?
C31G C30G C67C 168.0(15) . . ?
C30H C30G C67C 123.5(12) . . ?
C31H C30G C349 153.7(17) . . ?
C31G C30G C349 64.9(10) . . ?
C366 C30G C349 129.4(11) . . ?
C30H C30G C349 111.3(11) . . ?
C67C C30G C349 125.2(10) . . ?
C31H C30H C31G 88.2(15) . . ?
C31H C30H C30G 39.2(10) . . ?
C31G C30H C30G 51.1(10) . . ?
C31H C30H C332 154.5(16) . . ?
C31G C30H C332 70.4(11) . . ?
C30G C30H C332 121.5(12) . . ?
C31H C30H C16C 66.9(12) . . ?
C31G C30H C16C 150.1(15) . . ?
C30G C30H C16C 106.1(11) . . ?
C332 C30H C16C 127.9(9) . . ?
C31H C30H C315 75.4(12) . . ?
C31G C30H C315 162.0(15) . . ?
C30G C30H C315 114.1(12) . . ?
C332 C30H C315 123.2(9) . . ?
C30H C31G C30G 81.9(14) . . ?
C30H C31G C31H 44.6(10) . . ?
C30G C31G C31H 39.2(9) . . ?
C30H C31G C332 69.7(11) . . ?
C30G C31G C332 151.6(14) . . ?
C31H C31G C332 113.0(10) . . ?
C30H C31G C349 156.2(14) . . ?
C30G C31G C349 76.4(11) . . ?
C31H C31G C349 115.4(10) . . ?
C332 C31G C349 131.5(10) . . ?
C30G C31H C30H 96.2(18) . . ?
C30G C31H C31G 51.4(12) . . ?
C30H C31H C31G 47.2(10) . . ?
C30G C31H C366 66.9(13) . . ?
C30H C31H C366 157.9(15) . . ?
C31G C31H C366 118.3(11) . . ?
C30G C31H C16C 170.7(18) . . ?
C30H C31H C16C 74.5(12) . . ?
C31G C31H C16C 119.6(11) . . ?
C30G C31H C67C 68.3(13) . . ?
C30H C31H C67C 161.3(14) . . ?
C31G C31H C67C 119.5(10) . . ?
C16C C31H C67C 120.8(10) . . ?
C30G C31H C315 163.1(17) . . ?
C30H C31H C315 69.6(11) . . ?
C31G C31H C315 116.4(10) . . ?
C366 C31H C315 124.0(10) . . ?
C352 C353 C354 117.9(8) . . ?
C352 C353 H35C 121.0 . . ?
C354 C353 H35C 121.0 . . ?
C353 C354 C355 115.7(7) . . ?
C353 C354 H35D 122.2 . . ?
C355 C354 H35D 122.2 . . ?
C356 C355 C354 113.4(7) . . ?
C356 C355 H35E 123.3 . . ?
C354 C355 H35E 123.3 . . ?
C353 C352 N310 120.7(7) . . ?
C353 C352 H35F 119.7 . . ?
N310 C352 H35F 119.7 . . ?
C356 N310 C352 118.0(7) . . ?
C356 N310 Zn5 110.9(5) . . ?
C352 N310 Zn5 131.0(5) . . ?
N310 C356 C355 119.9(7) . . ?
N310 C356 C357 118.0(7) . . ?
C355 C356 C357 118.2(6) . . ?
N10C C56C C357 109.1(9) . . ?
N10C C56C C55C 116.0(10) . . ?
C357 C56C C55C 133.5(9) . . ?
C56C N10C C52C 123.4(10) . . ?
C56C N10C Zn5 119.4(7) . . ?
C52C N10C Zn5 117.0(6) . . ?
C55C C54C C53C 112.9(10) . . ?
C55C C54C H54B 123.6 . . ?
C53C C54C H54B 123.6 . . ?
C52C C53C C54C 125.2(11) . . ?
C52C C53C H53B 117.4 . . ?
C54C C53C H53B 117.4 . . ?
C53C C52C N10C 115.8(10) . . ?
C53C C52C H52B 122.1 . . ?
N10C C52C H52B 122.1 . . ?
C54C C55C C56C 125.0(10) . . ?
C54C C55C H55B 117.5 . . ?
C56C C55C H55B 117.5 . . ?
C358 C357 N311 121.4(6) . . ?
C358 C357 C56C 112.9(8) . . ?
N311 C357 C56C 124.9(7) . . ?
C358 C357 C356 125.6(7) . . ?
N311 C357 C356 112.9(5) . . ?
C357 C358 C359 125.0(7) . . ?
C357 C358 H35G 117.5 . . ?
C359 C358 H35G 117.5 . . ?
C358 C359 C360 112.1(6) . . ?
C358 C359 H35H 124.0 . . ?
C360 C359 H35H 124.0 . . ?
C361 C360 N312 123.3(6) . . ?
C361 C360 C359 118.3(6) . . ?
N312 C360 C359 118.4(5) . . ?
N311 C361 C360 123.6(6) . . ?
N311 C361 H36A 118.2 . . ?
C360 C361 H36A 118.2 . . ?
C368 C363 C364 130.9(6) . . ?
C64C C363 C68C 114.0(6) . . ?
C368 C363 C362 117.8(6) . . ?
C364 C363 C362 109.6(6) . . ?
C64C C363 H36F 123.5 . . ?
C68C C363 H36F 122.5 . . ?
O304 C362 N312 122.3(11) . . ?
O304 C362 C363 116.5(10) . . ?
N312 C362 C363 121.1(9) . . ?
C363 C364 C365 111.5(6) . . ?
C363 C364 H36B 124.2 . . ?
C365 C364 H36B 124.2 . . ?
C364 C365 C366 123.8(8) . . ?
C364 C365 H36C 118.1 . . ?
C366 C365 H36C 118.1 . . ?
C30G C366 C367 103.1(8) . . ?
C30G C366 C365 142.1(9) . . ?
C367 C366 C365 113.0(7) . . ?
C30G C366 C31H 37.1(7) . . ?
C367 C366 C31H 128.7(8) . . ?
C365 C366 C31H 116.0(8) . . ?
C366 C367 C368 128.3(7) . . ?
C366 C367 H36D 115.9 . . ?
C368 C367 H36D 115.9 . . ?
C363 C368 C367 108.8(6) . . ?
C363 C368 H36E 125.6 . . ?
C367 C368 H36E 125.6 . . ?
N312 C62C O04C 122.0(12) . . ?
N312 C62C C64C 123.6(11) . . ?
O04C C62C C64C 111.6(9) . . ?
C363 C64C C65C 124.0(7) . . ?
C363 C64C C62C 109.4(7) . . ?
C65C C64C C62C 123.1(8) . . ?
C64C C65C C66C 115.6(7) . . ?
C64C C65C H65A 122.2 . . ?
C66C C65C H65A 122.2 . . ?
C65C C66C C67C 123.3(7) . . ?
C65C C66C H66A 118.3 . . ?
C67C C66C H66A 118.3 . . ?
C66C C67C C68C 113.0(7) . . ?
C66C C67C C30G 116.4(8) . . ?
C68C C67C C30G 127.7(8) . . ?
C66C C67C C31H 96.6(7) . . ?
C68C C67C C31H 149.3(7) . . ?
C30G C67C C31H 31.9(6) . . ?
C67C C68C C363 123.5(7) . . ?
C67C C68C H68A 118.3 . . ?
C363 C68C H68A 118.3 . . ?
C405 N401 C401 119.2(4) . . ?
C405 N401 Zn1 116.9(3) . . ?
C401 N401 Zn1 123.4(3) . . ?
C410 N402 C406 119.3(3) . . ?
C410 N402 Zn1 125.7(3) . . ?
C406 N402 Zn1 115.0(3) . . ?
C411 N403 C409 127.7(4) . . ?
C411 N403 H40G 116.2 . . ?
C409 N403 H40G 116.2 . . ?
N401 C401 C402 121.7(4) . . ?
N401 C401 H40A 119.2 . . ?
C402 C401 H40A 119.2 . . ?
C403 C402 C401 118.5(4) . . ?
C403 C402 H40B 120.8 . . ?
C401 C402 H40B 120.7 . . ?
C402 C403 C404 121.9(5) . . ?
C402 C403 H40C 119.0 . . ?
C404 C403 H40C 119.0 . . ?
C403 C404 C405 115.6(4) . . ?
C403 C404 H40D 122.2 . . ?
C405 C404 H40D 122.2 . . ?
N401 C405 C404 122.9(4) . . ?
N401 C405 C406 116.6(3) . . ?
C404 C405 C406 120.4(4) . . ?
N402 C406 C407 120.4(4) . . ?
N402 C406 C405 114.9(4) . . ?
C407 C406 C405 124.4(4) . . ?
C408 C407 C406 119.7(4) . . ?
C408 C407 H40E 120.2 . . ?
C406 C407 H40E 120.2 . . ?
C407 C408 C409 119.3(4) . . ?
C407 C408 H40F 120.3 . . ?
C409 C408 H40F 120.3 . . ?
C410 C409 C408 117.9(4) . . ?
C410 C409 N403 119.2(4) . . ?
C408 C409 N403 122.8(4) . . ?
N402 C410 C409 123.1(4) . . ?
N402 C410 H41B 118.5 . . ?
C409 C410 H41B 118.5 . . ?
O401 C411 N403 121.5(4) . . ?
O401 C411 C412 120.7(4) . . ?
N403 C411 C412 117.8(4) . . ?
C413 C412 C417 118.3(5) . . ?
C413 C412 C411 122.8(4) . . ?
C417 C412 C411 118.9(4) . . ?
C412 C413 C414 119.9(5) . . ?
C412 C413 H41C 120.0 . . ?
C414 C413 H41C 120.0 . . ?
C415 C414 C413 120.6(5) . . ?
C415 C414 H41D 119.7 . . ?
C413 C414 H41D 119.7 . . ?
C414 C415 C416 117.9(5) . . ?
C414 C415 C40G 119.3(5) . . ?
C416 C415 C40G 122.8(5) . . ?
C417 C416 C415 122.7(5) . . ?
C417 C416 H41E 118.6 . . ?
C415 C416 H41E 118.6 . . ?
C416 C417 C412 120.5(5) . . ?
C416 C417 H41F 119.7 . . ?
C412 C417 H41F 119.7 . . ?
C422 N404 C418 119.2(7) . . ?
C422 N404 Zn8 119.4(5) . . ?
C418 N404 Zn8 121.2(6) . . ?
C423 N405 C427 117.2(7) . . ?
C423 N405 Zn8 116.1(5) . . ?
C427 N405 Zn8 126.6(5) . . ?
N404 C418 C419 117.8(8) . . ?
N404 C418 H41G 121.1 . . ?
C419 C418 H41G 121.1 . . ?
C420 C419 C418 123.4(9) . . ?
C420 C419 H41H 118.3 . . ?
C418 C419 H41H 118.3 . . ?
C419 C420 C421 118.0(9) . . ?
C419 C420 H42B 121.0 . . ?
C421 C420 H42B 121.0 . . ?
C420 C421 C422 117.5(8) . . ?
C420 C421 H42C 121.2 . . ?
C422 C421 H42C 121.2 . . ?
N404 C422 C421 122.9(7) . . ?
N404 C422 C423 116.2(7) . . ?
C421 C422 C423 119.8(7) . . ?
N405 C423 C424 122.8(7) . . ?
N405 C423 C422 114.3(7) . . ?
C424 C423 C422 122.8(8) . . ?
C423 C424 C425 118.5(8) . . ?
C423 C424 H42D 120.7 . . ?
C425 C424 H42D 120.8 . . ?
C426 C425 C424 118.2(8) . . ?
C426 C425 H42E 120.9 . . ?
C424 C425 H42E 120.9 . . ?
C427 C426 C425 121.1(8) . . ?
C427 C426 N406 118.4(7) . . ?
C425 C426 N406 119.7(7) . . ?
C426 C427 N405 121.8(8) . . ?
C426 C427 H42F 119.1 . . ?
N405 C427 H42F 119.1 . . ?
C428 N406 C426 123.8(7) . . ?
C428 N406 H40I 118.1 . . ?
C426 N406 H40I 118.1 . . ?
O402 C428 N406 127.4(8) . . ?
O402 C428 C429 120.1(7) . . ?
N406 C428 C429 110.6(7) . . ?
C429 C430 C431 117.2(7) . . ?
C429 C430 H43A 121.4 . . ?
C431 C430 H43A 121.4 . . ?
C430 C429 C434 121.9(7) . . ?
C430 C429 C428 123.2(7) . . ?
C434 C429 C428 114.8(7) . . ?
C432 C431 C430 121.2(8) . . ?
C432 C431 H43B 119.4 . . ?
C430 C431 H43B 119.4 . . ?
C431 C432 C433 120.3(7) . . ?
C431 C432 C41G 117.4(7) . . ?
C433 C432 C41G 122.4(6) . . ?
C432 C433 C434 120.8(7) . . ?
C432 C433 H43C 119.6 . . ?
C434 C433 H43C 119.6 . . ?
C433 C434 C429 118.3(7) . . ?
C433 C434 H43D 120.8 . . ?
C429 C434 H43D 120.8 . . ?
C22D N04D C18D 120.5(12) . . ?
C22D N04D Zn8 111.0(9) . . ?
C18D N04D Zn8 127.7(9) . . ?
C27D N05D C23D 115.2(11) . . ?
C27D N05D Zn8 124.8(9) . . ?
C23D N05D Zn8 118.6(8) . . ?
C26D N06D C28D 141.4(13) . . ?
C26D N06D H06A 109.3 . . ?
C28D N06D H06A 109.3 . . ?
N04D C22D C21D 121.3(13) . . ?
N04D C22D C23D 122.2(13) . . ?
C21D C22D C23D 111.0(12) . . ?
N04D C18D C19D 118.7(14) . . ?
N04D C18D H18A 120.6 . . ?
C19D C18D H18A 120.6 . . ?
C20D C19D C18D 123.3(16) . . ?
C20D C19D H19A 118.4 . . ?
C18D C19D H19A 118.4 . . ?
C19D C20D C21D 117.1(16) . . ?
C19D C20D H20J 121.4 . . ?
C21D C20D H20J 121.4 . . ?
C24D C23D N05D 122.9(13) . . ?
C24D C23D C22D 129.6(14) . . ?
N05D C23D C22D 107.4(12) . . ?
C22D C21D C20D 113.6(14) . . ?
C22D C21D H21I 123.2 . . ?
C20D C21D H21I 123.2 . . ?
C27D C26D C25D 118.8(14) . . ?
C27D C26D N06D 126.4(14) . . ?
C25D C26D N06D 114.5(13) . . ?
C23D C24D C25D 117.9(13) . . ?
C23D C24D H24G 121.1 . . ?
C25D C24D H24G 121.1 . . ?
C26D C27D N05D 126.2(13) . . ?
C26D C27D H27A 116.9 . . ?
N05D C27D H27A 116.9 . . ?
C26D C25D C24D 118.0(13) . . ?
C26D C25D H25I 121.0 . . ?
C24D C25D H25I 121.0 . . ?
O02D C28D N06D 117.2(13) . . ?
O02D C28D C30D 117.9(13) . . ?
N06D C28D C30D 124.2(13) . . ?
C29D C30D C31D 124.6(11) . . ?
C29D C30D C28D 121.3(11) . . ?
C31D C30D C28D 113.4(11) . . ?
C30D C29D C34D 114.3(11) . . ?
C30D C29D H29A 122.8 . . ?
C34D C29D H29A 122.8 . . ?
C30D C31D C32D 113.4(11) . . ?
C30D C31D H31L 123.3 . . ?
C32D C31D H31L 123.3 . . ?
C33D C32D C31D 126.7(11) . . ?
C33D C32D H32F 116.6 . . ?
C31D C32D H32F 116.6 . . ?
C34D C33D C32D 113.7(11) . . ?
C34D C33D C41G 122.3(9) . . ?
C32D C33D C41G 122.0(10) . . ?
C33D C34D C29D 125.1(11) . . ?
C33D C34D H34G 117.5 . . ?
C29D C34D H34G 117.4 . . ?
O03D O403 C445 64.6(13) . . ?
O403 O03D C445 81.6(14) . . ?
C439 N407 C435 121.4(5) . . ?
C439 N407 Zn7 114.9(4) . . ?
C435 N407 Zn7 123.6(4) . . ?
C440 N408 C444 118.6(5) . . ?
C440 N408 Zn7 117.1(4) . . ?
C444 N408 Zn7 123.9(4) . . ?
C445 N409 C443 126.0(6) . . ?
C445 N409 H40H 117.0 . . ?
C443 N409 H40H 117.0 . . ?
N407 C435 C436 120.0(6) . . ?
N407 C435 H43E 120.0 . . ?
C436 C435 H43E 120.0 . . ?
C435 C436 C437 121.5(7) . . ?
C435 C436 H43F 119.2 . . ?
C437 C436 H43F 119.2 . . ?
C436 C437 C438 114.9(7) . . ?
C436 C437 H43G 122.6 . . ?
C438 C437 H43G 122.6 . . ?
C439 C438 C437 119.4(7) . . ?
C439 C438 H43H 120.3 . . ?
C437 C438 H43H 120.3 . . ?
N407 C439 C438 122.1(6) . . ?
N407 C439 C440 118.3(5) . . ?
C438 C439 C440 119.4(6) . . ?
N408 C440 C441 120.5(6) . . ?
N408 C440 C439 114.3(5) . . ?
C441 C440 C439 125.2(6) . . ?
C440 C441 C442 123.5(6) . . ?
C440 C441 H44B 118.2 . . ?
C442 C441 H44B 118.2 . . ?
C443 C442 C441 113.4(6) . . ?
C443 C442 H44C 123.3 . . ?
C441 C442 H44C 123.3 . . ?
C444 C443 C442 121.5(6) . . ?
C444 C443 N409 116.8(6) . . ?
C442 C443 N409 121.7(6) . . ?
C443 C444 N408 122.5(5) . . ?
C443 C444 H44D 118.8 . . ?
N408 C444 H44D 118.8 . . ?
O03D C445 N409 123.6(9) . . ?
O03D C445 O403 33.8(7) . . ?
N409 C445 O403 123.7(9) . . ?
O03D C445 C446 114.1(9) . . ?
N409 C445 C446 119.6(7) . . ?
O403 C445 C446 113.6(8) . . ?
C447 C446 C451 128.4(7) . . ?
C447 C446 C445 116.4(7) . . ?
C451 C446 C445 115.2(6) . . ?
C446 C447 C448 116.0(8) . . ?
C446 C447 H44E 122.0 . . ?
C448 C447 H44E 122.0 . . ?
C447 C448 C449 121.4(6) . . ?
C447 C448 H44F 119.3 . . ?
C449 C448 H44F 119.3 . . ?
C450 C449 C41G 122.5(6) . . ?
C450 C449 C448 117.3(6) . . ?
C41G C449 C448 120.2(5) . . ?
C449 C450 C451 122.2(6) . . ?
C449 C450 H45A 118.9 . . ?
C451 C450 H45A 118.9 . . ?
C446 C451 C450 114.6(6) . . ?
C446 C451 H45B 122.7 . . ?
C450 C451 H45B 122.7 . . ?
C41G C40G C415 124.4(5) . . ?
C41G C40G C67D 118.4(6) . . ?
C415 C40G C67D 117.1(6) . . ?
C41G C40G C466 119.0(6) . . ?
C415 C40G C466 112.5(6) . . ?
C40G C41G C449 125.1(6) . . ?
C40G C41G C33D 119.8(8) . . ?
C449 C41G C33D 113.3(7) . . ?
C40G C41G C432 117.0(6) . . ?
C449 C41G C432 117.9(6) . . ?
C452 N410 C456 118.4(5) . . ?
C452 N410 Zn6 128.0(4) . . ?
C456 N410 Zn6 113.4(3) . . ?
C461 N411 C457 120.6(5) . . ?
C461 N411 Zn6 124.3(3) . . ?
C457 N411 Zn6 115.0(3) . . ?
C62D N412 C460 127.0(8) . . ?
C462 N412 C460 131.0(7) . . ?
C62D N412 H41J 116.4 . . ?
C460 N412 H41J 116.5 . . ?
C462 N412 H41I 114.6 . . ?
C460 N412 H41I 114.3 . . ?
N410 C452 C453 124.4(6) . . ?
N410 C452 H45C 117.8 . . ?
C453 C452 H45C 117.8 . . ?
C452 C453 C454 117.2(6) . . ?
C452 C453 H45D 121.4 . . ?
C454 C453 H45D 121.4 . . ?
C453 C454 C455 122.3(6) . . ?
C453 C454 H45E 118.9 . . ?
C455 C454 H45E 118.9 . . ?
C454 C455 C456 113.8(6) . . ?
C454 C455 H45F 123.1 . . ?
C456 C455 H45F 123.1 . . ?
N410 C456 C455 123.4(5) . . ?
N410 C456 C457 117.4(5) . . ?
C455 C456 C457 118.9(6) . . ?
N411 C457 C458 122.2(5) . . ?
N411 C457 C456 116.3(5) . . ?
C458 C457 C456 121.5(6) . . ?
C457 C458 C459 117.8(6) . . ?
C457 C458 H45G 121.1 . . ?
C459 C458 H45G 121.1 . . ?
C460 C459 C458 116.9(7) . . ?
C460 C459 H45H 121.5 . . ?
C458 C459 H45H 121.5 . . ?
C459 C460 C461 120.0(5) . . ?
C459 C460 N412 118.8(6) . . ?
C461 C460 N412 121.2(5) . . ?
N411 C461 C460 122.0(5) . . ?
N411 C461 H46A 119.0 . . ?
C460 C461 H46A 119.0 . . ?
C468 C463 C464 149.6(12) . . ?
C464 C463 C68D 98.3(7) . . ?
C468 C463 C462 108.5(11) . . ?
C464 C463 C462 101.8(7) . . ?
C464 C463 H46E 129.7 . . ?
C68D C463 H46E 132.0 . . ?
C65D C464 C463 155.5(10) . . ?
C463 C464 C465 97.7(7) . . ?
C65D C464 C62D 105.4(9) . . ?
C463 C464 C62D 99.1(7) . . ?
C463 C464 H46F 129.4 . . ?
C465 C464 H46F 132.9 . . ?
O04' O404 C462 45.5(14) . . ?
O404 O04' C462 98.7(19) . . ?
O04' C462 N412 123.0(12) . . ?
O04' C462 O404 35.8(10) . . ?
N412 C462 O404 118.8(12) . . ?
O04' C462 C463 119.0(11) . . ?
N412 C462 C463 118.0(9) . . ?
O404 C462 C463 111.9(11) . . ?
C466 C465 C464 113.8(10) . . ?
C466 C465 H46B 123.1 . . ?
C464 C465 H46B 123.1 . . ?
C467 C466 C465 121.9(12) . . ?
C467 C466 C40G 124.3(10) . . ?
C465 C466 C40G 106.5(9) . . ?
C468 C467 C466 114.0(12) . . ?
C468 C467 H46C 123.0 . . ?
C466 C467 H46C 123.0 . . ?
C463 C468 C467 120.9(15) . . ?
C463 C468 H46D 119.5 . . ?
C467 C468 H46D 119.5 . . ?
N412 C62D O4D 130.5(12) . . ?
N412 C62D C464 116.8(10) . . ?
O4D C62D C464 112.1(10) . . ?
C464 C65D C66D 105.3(12) . . ?
C464 C65D H65B 127.3 . . ?
C66D C65D H65B 127.3 . . ?
C65D C66D C67D 125.0(11) . . ?
C65D C66D H66B 117.5 . . ?
C67D C66D H66B 117.5 . . ?
C68D C67D C66D 118.4(10) . . ?
C68D C67D C40G 117.6(8) . . ?
C66D C67D C40G 123.9(8) . . ?
C67D C68D C463 117.2(9) . . ?
C67D C68D H68B 121.4 . . ?
C463 C68D H68B 121.4 . . ?
C505 N501 C501 119.7(4) . . ?
C505 N501 Zn2 116.4(3) . . ?
C501 N501 Zn2 123.9(4) . . ?
C506 N502 C510 117.0(4) . . ?
C506 N502 Zn2 118.1(3) . . ?
C510 N502 Zn2 124.8(3) . . ?
C511 N503 C509 128.9(5) . . ?
C511 N503 H50I 115.6 . . ?
C509 N503 H50I 115.6 . . ?
N501 C501 C502 118.6(5) . . ?
N501 C501 H50C 120.7 . . ?
C502 C501 H50C 120.7 . . ?
C503 C502 C501 120.4(6) . . ?
C503 C502 H50D 119.8 . . ?
C501 C502 H50D 119.8 . . ?
C502 C503 C504 121.3(6) . . ?
C502 C503 H50E 119.3 . . ?
C504 C503 H50E 119.3 . . ?
C505 C504 C503 115.2(5) . . ?
C505 C504 H50F 122.4 . . ?
C503 C504 H50F 122.4 . . ?
N501 C505 C504 124.8(5) . . ?
N501 C505 C506 116.5(4) . . ?
C504 C505 C506 118.7(5) . . ?
C507 C506 N502 121.7(5) . . ?
C507 C506 C505 125.3(5) . . ?
N502 C506 C505 113.0(4) . . ?
C506 C507 C508 123.8(5) . . ?
C506 C507 H50G 118.1 . . ?
C508 C507 H50G 118.1 . . ?
C507 C508 C509 114.7(5) . . ?
C507 C508 H50H 122.6 . . ?
C509 C508 H50H 122.6 . . ?
C510 C509 N503 120.1(4) . . ?
C510 C509 C508 119.4(5) . . ?
N503 C509 C508 120.5(4) . . ?
C509 C510 N502 123.2(4) . . ?
C509 C510 H51A 118.4 . . ?
N502 C510 H51A 118.4 . . ?
N503 C511 O501 124.4(6) . . ?
N503 C511 C512 118.7(5) . . ?
O501 C511 C512 116.5(6) . . ?
C517 C512 C513 119.2(6) . . ?
C517 C512 C511 121.8(6) . . ?
C513 C512 C511 119.0(6) . . ?
C516 C515 C514 118.9(7) . . ?
C516 C515 C50G 135.3(8) . . ?
C514 C515 C50G 105.6(7) . . ?
C516 C515 C51H 94.8(8) . . ?
C514 C515 C51H 145.1(8) . . ?
C50G C515 C51H 42.8(6) . . ?
C514 C513 C512 117.5(7) . . ?
C514 C513 H51B 121.3 . . ?
C512 C513 H51B 121.3 . . ?
C515 C514 C513 125.1(7) . . ?
C515 C514 H51C 117.4 . . ?
C513 C514 H51C 117.4 . . ?
C515 C516 C517 121.3(8) . . ?
C515 C516 H51D 119.4 . . ?
C517 C516 H51D 119.4 . . ?
C512 C517 C516 118.0(6) . . ?
C512 C517 H51E 121.0 . . ?
C516 C517 H51E 121.0 . . ?
C518 N504 C522 120.2(4) . . ?
C518 N504 Zn1 125.6(3) . . ?
C522 N504 Zn1 114.2(3) . . ?
C527 N505 C523 117.0(4) . . ?
C527 N505 Zn1 126.0(3) . . ?
C523 N505 Zn1 117.0(3) . . ?
C528 N506 C526 134.3(5) . . ?
C528 N506 H50J 112.9 . . ?
C526 N506 H50J 112.9 . . ?
N504 C518 C519 122.5(4) . . ?
N504 C518 H51F 118.7 . . ?
C519 C518 H51F 118.7 . . ?
C520 C519 C518 119.4(5) . . ?
C520 C519 H51G 120.3 . . ?
C518 C519 H51G 120.3 . . ?
C519 C520 C521 120.3(5) . . ?
C519 C520 H52C 119.8 . . ?
C521 C520 H52C 119.8 . . ?
C520 C521 C522 118.2(4) . . ?
C520 C521 H52D 120.9 . . ?
C522 C521 H52D 120.9 . . ?
N504 C522 C521 119.3(4) . . ?
N504 C522 C523 118.7(4) . . ?
C521 C522 C523 122.0(4) . . ?
C524 C523 N505 120.5(4) . . ?
C524 C523 C522 126.1(4) . . ?
N505 C523 C522 113.4(4) . . ?
C525 C524 C523 121.6(4) . . ?
C525 C524 H52E 119.2 . . ?
C523 C524 H52E 119.2 . . ?
C524 C525 C526 119.8(4) . . ?
C524 C525 H52F 120.1 . . ?
C526 C525 H52F 120.1 . . ?
C525 C526 N506 124.3(4) . . ?
C525 C526 C527 116.3(4) . . ?
N506 C526 C527 119.4(4) . . ?
N505 C527 C526 124.7(4) . . ?
N505 C527 H52G 117.7 . . ?
C526 C527 H52G 117.7 . . ?
N506 C528 O502 121.6(6) . . ?
N506 C528 C529 119.5(5) . . ?
O502 C528 C529 118.6(6) . . ?
C534 C529 C530 133.4(6) . . ?
C534 C529 C528 114.2(6) . . ?
C530 C529 C528 112.3(6) . . ?
C533 C532 C531 126.0(7) . . ?
C533 C532 C50G 115.6(6) . . ?
C531 C532 C50G 118.4(6) . . ?
C533 C532 C50H 114.3(9) . . ?
C531 C532 C50H 106.9(8) . . ?
C50G C532 C50H 38.0(7) . . ?
C531 C530 C529 109.2(7) . . ?
C531 C530 H53C 125.4 . . ?
C529 C530 H53C 125.4 . . ?
C530 C531 C532 123.3(7) . . ?
C530 C531 H53D 118.3 . . ?
C532 C531 H53D 118.3 . . ?
C532 C533 C534 107.9(6) . . ?
C532 C533 H53E 126.0 . . ?
C534 C533 H53E 126.0 . . ?
C529 C534 C533 117.0(6) . . ?
C529 C534 H53F 121.5 . . ?
C533 C534 H53F 121.5 . . ?
C539 N507 C535 121.8(5) . . ?
C539 N507 Zn6 117.0(4) . . ?
C535 N507 Zn6 121.1(4) . . ?
C540 N508 C544 122.4(5) . . ?
C540 N508 Zn6 114.9(4) . . ?
C544 N508 Zn6 122.6(4) . . ?
C545 N509 C543 127.3(6) . . ?
C545 N509 H50K 116.4 . . ?
C543 N509 H50K 116.4 . . ?
N507 C535 C536 111.6(6) . . ?
N507 C535 H53G 124.2 . . ?
C536 C535 H53G 124.2 . . ?
C537 C536 C535 127.8(7) . . ?
C537 C536 H53H 116.1 . . ?
C535 C536 H53H 116.1 . . ?
C536 C537 C538 117.4(7) . . ?
C536 C537 H53I 121.3 . . ?
C538 C537 H53I 121.3 . . ?
C537 C538 C539 122.2(7) . . ?
C537 C538 H53J 118.9 . . ?
C539 C538 H53J 118.9 . . ?
N507 C539 C538 119.1(6) . . ?
N507 C539 C540 116.0(5) . . ?
C538 C539 C540 124.9(6) . . ?
N508 C540 C541 118.1(5) . . ?
N508 C540 C539 118.3(6) . . ?
C541 C540 C539 123.6(6) . . ?
C542 C541 C540 120.7(6) . . ?
C542 C541 H54C 119.6 . . ?
C540 C541 H54C 119.6 . . ?
C541 C542 C543 121.2(7) . . ?
C541 C542 H54D 119.4 . . ?
C543 C542 H54D 119.4 . . ?
N509 C543 C542 120.7(6) . . ?
N509 C543 C544 122.7(6) . . ?
C542 C543 C544 116.5(6) . . ?
N508 C544 C543 120.9(5) . . ?
N508 C544 H54E 119.5 . . ?
C543 C544 H54E 119.5 . . ?
O03E C545 N509 123.4(8) . . ?
O03E C545 C546 119.0(7) . . ?
N509 C545 C546 113.9(6) . . ?
N509 C545 O503 106.2(6) . . ?
C546 C545 O503 121.8(7) . . ?
C546 C547 C548 119.0(7) . . ?
C546 C547 H54F 120.5 . . ?
C548 C547 H54F 120.5 . . ?
C549 C548 C547 116.0(7) . . ?
C549 C548 H54G 122.0 . . ?
C547 C548 H54G 122.0 . . ?
C550 C549 C548 127.8(7) . . ?
C550 C549 C51G 111.7(6) . . ?
C548 C549 C51G 118.6(6) . . ?
C550 C549 C50H 144.0(9) . . ?
C548 C549 C50H 87.9(8) . . ?
C51G C549 C50H 37.4(6) . . ?
C549 C550 C551 115.1(7) . . ?
C549 C550 H55C 122.5 . . ?
C551 C550 H55C 122.5 . . ?
C547 C546 C551 121.5(7) . . ?
C547 C546 C545 119.9(6) . . ?
C551 C546 C545 117.6(6) . . ?
C546 C551 C550 120.2(7) . . ?
C546 C551 H55D 119.9 . . ?
C550 C551 H55D 119.9 . . ?
C50H C50G C51H 79.6(14) . . ?
C50H C50G C51G 52.0(11) . . ?
C51H C50G C51G 46.6(9) . . ?
C50H C50G C515 146.1(14) . . ?
C51H C50G C515 73.3(10) . . ?
C51G C50G C515 115.4(8) . . ?
C50H C50G C532 71.2(11) . . ?
C51H C50G C532 143.4(12) . . ?
C51G C50G C532 120.2(9) . . ?
C515 C50G C532 122.4(7) . . ?
C51H C51G C50H 85.6(14) . . ?
C51H C51G C50G 56.0(10) . . ?
C50H C51G C50G 51.3(11) . . ?
C51H C51G C566 76.3(10) . . ?
C50H C51G C566 156.6(13) . . ?
C50G C51G C566 124.3(8) . . ?
C51H C51G C549 151.2(13) . . ?
C50H C51G C549 74.8(12) . . ?
C50G C51G C549 120.3(8) . . ?
C566 C51G C549 115.4(6) . . ?
C50G C50H C51G 76.7(15) . . ?
C50G C50H C51H 52.2(11) . . ?
C51G C50H C51H 44.6(10) . . ?
C50G C50H C532 70.9(12) . . ?
C51G C50H C532 142.2(17) . . ?
C51H C50H C532 119.3(14) . . ?
C50G C50H C549 135.4(16) . . ?
C51G C50H C549 67.8(11) . . ?
C51H C50H C549 109.7(13) . . ?
C532 C50H C549 126.3(11) . . ?
C51G C51H C50G 77.4(12) . . ?
C51G C51H C50H 49.8(11) . . ?
C50G C51H C50H 48.3(10) . . ?
C51G C51H C515 133.8(15) . . ?
C50G C51H C515 63.9(9) . . ?
C50H C51H C515 109.6(12) . . ?
C51G C51H C566 67.6(10) . . ?
C50G C51H C566 134.2(13) . . ?
C50H C51H C566 115.8(13) . . ?
C515 C51H C566 124.4(10) . . ?
C556 N510 C552 118.8(5) . . ?
C556 N510 Zn3 115.5(4) . . ?
C552 N510 Zn3 124.8(4) . . ?
C557 N511 C561 119.8(5) . . ?
C557 N511 Zn3 116.0(4) . . ?
C561 N511 Zn3 124.1(4) . . ?
C553 C552 N510 123.2(6) . . ?
C553 C552 H55E 118.4 . . ?
N510 C552 H55E 118.4 . . ?
C552 C553 C554 120.0(6) . . ?
C552 C553 H55F 120.0 . . ?
C554 C553 H55F 120.0 . . ?
C555 C554 C553 121.0(7) . . ?
C555 C554 H55G 119.5 . . ?
C553 C554 H55G 119.5 . . ?
C554 C555 C556 114.9(6) . . ?
C554 C555 H55H 122.5 . . ?
C556 C555 H55H 122.5 . . ?
N510 C556 C555 121.8(5) . . ?
N510 C556 C557 117.4(5) . . ?
C555 C556 C557 120.8(6) . . ?
N511 C557 C558 121.7(5) . . ?
N511 C557 C556 115.4(5) . . ?
C558 C557 C556 122.5(6) . . ?
C559 C558 C557 119.2(6) . . ?
C559 C558 H55I 120.4 . . ?
C557 C558 H55I 120.4 . . ?
C558 C559 C560 119.8(6) . . ?
C558 C559 H55J 120.1 . . ?
C560 C559 H55J 120.1 . . ?
C561 C560 C559 116.2(6) . . ?
C561 C560 N12E 120.4(7) . . ?
C559 C560 N12E 122.8(7) . . ?
C561 C560 N512 118.5(7) . . ?
C559 C560 N512 124.2(7) . . ?
N511 C561 C560 123.1(6) . . ?
N511 C561 H56A 118.5 . . ?
C560 C561 H56A 118.5 . . ?
C67E C566 C65E 123.0(7) . . ?
C567 C566 C565 118.1(6) . . ?
C567 C566 C51G 131.1(7) . . ?
C67E C566 C51G 98.7(6) . . ?
C65E C566 C51G 131.7(7) . . ?
C565 C566 C51G 110.7(6) . . ?
C567 C566 C51H 124.8(8) . . ?
C67E C566 C51H 107.7(7) . . ?
C65E C566 C51H 128.2(8) . . ?
C565 C566 C51H 105.3(7) . . ?
C51G C566 C51H 36.1(6) . . ?
O4EE O04E C62E 64.7(10) . . ?
O04E O4EE C62E 75.5(12) . . ?
O4EE C62E N12E 143.4(11) . . ?
O4EE C62E O04E 39.7(8) . . ?
N12E C62E O04E 130.0(12) . . ?
O4EE C62E C63E 112.0(9) . . ?
N12E C62E C63E 103.9(9) . . ?
O04E C62E C63E 97.3(9) . . ?
C560 N12E C62E 117.8(10) . . ?
C560 N12E H12H 121.1 . . ?
C62E N12E H12H 121.1 . . ?
C566 C67E C68E 117.3(9) . . ?
C566 C67E H67A 121.4 . . ?
C68E C67E H67A 121.4 . . ?
C63E C64E C65E 121.9(8) . . ?
C63E C64E H64A 119.1 . . ?
C65E C64E H64A 119.1 . . ?
C566 C65E C64E 118.8(9) . . ?
C566 C65E H65C 120.6 . . ?
C64E C65E H65C 120.6 . . ?
C64E C63E C68E 117.7(8) . . ?
C64E C63E C62E 123.2(8) . . ?
C68E C63E C62E 119.0(10) . . ?
C67E C68E C63E 121.4(11) . . ?
C67E C68E H68C 119.3 . . ?
C63E C68E H68C 119.3 . . ?
N512 C562 O504 129.5(13) . . ?
N512 C562 C563 109.1(10) . . ?
O504 C562 C563 115.5(11) . . ?
C562 N512 C560 111.3(10) . . ?
C562 N512 H51H 124.3 . . ?
C560 N512 H51H 124.3 . . ?
C566 C567 C568 119.2(9) . . ?
C566 C567 H56B 120.4 . . ?
C568 C567 H56B 120.4 . . ?
C568 C563 C564 123.9(8) . . ?
C568 C563 C562 117.2(8) . . ?
C564 C563 C562 118.2(9) . . ?
C565 C564 C563 115.4(9) . . ?
C565 C564 H56C 122.3 . . ?
C563 C564 H56C 122.3 . . ?
C564 C565 C566 122.4(8) . . ?
C564 C565 H56D 118.8 . . ?
C566 C565 H56D 118.8 . . ?
C563 C568 C567 117.7(8) . . ?
C563 C568 H56E 121.2 . . ?
C567 C568 H56E 121.2 . . ?
C605 N601 C601 118.7(5) . . ?
C605 N601 Zn4 114.9(4) . . ?
C601 N601 Zn4 126.2(4) . . ?
C602 C601 N601 121.6(5) . . ?
C602 C601 H60A 119.2 . . ?
N601 C601 H60A 119.2 . . ?
C603 C602 C601 119.4(6) . . ?
C603 C602 H60B 120.3 . . ?
C601 C602 H60B 120.3 . . ?
C602 C603 C604 122.3(6) . . ?
C602 C603 H60C 118.9 . . ?
C604 C603 H60C 118.9 . . ?
C605 C604 C603 115.2(5) . . ?
C605 C604 H60D 122.4 . . ?
C603 C604 H60D 122.4 . . ?
N601 C605 C604 122.9(5) . . ?
N601 C605 C06F 109.0(9) . . ?
C604 C605 C06F 126.2(9) . . ?
N601 C605 C606 120.8(6) . . ?
C604 C605 C606 116.2(6) . . ?
C06F N602 C10F 124.5(12) . . ?
C606 N602 C610 111.6(6) . . ?
C06F N602 Zn4 109.2(8) . . ?
C606 N602 Zn4 121.6(5) . . ?
C10F N602 Zn4 114.8(8) . . ?
C610 N602 Zn4 126.5(5) . . ?
C611 N603 C609 128.4(8) . . ?
C611 N603 H60H 115.8 . . ?
C609 N603 H60H 115.8 . . ?
C607 C606 N602 126.0(8) . . ?
C607 C606 C605 126.7(8) . . ?
N602 C606 C605 106.8(6) . . ?
C606 C607 C608 120.2(9) . . ?
C606 C607 H60E 119.9 . . ?
C608 C607 H60E 119.9 . . ?
C609 C608 C607 115.5(9) . . ?
C609 C608 H60F 122.2 . . ?
C607 C608 H60F 122.2 . . ?
C608 C609 C610 122.3(9) . . ?
C608 C609 N603 123.6(8) . . ?
C610 C609 N603 113.6(8) . . ?
C609 C610 N602 122.8(8) . . ?
C609 C610 H61B 118.6 . . ?
N602 C610 H61B 118.6 . . ?
C613 C612 C617 117.5(6) . . ?
C613 C612 C611 121.3(6) . . ?
C617 C612 C611 118.5(6) . . ?
C612 C613 C614 122.5(6) . . ?
C612 C613 H61C 118.7 . . ?
C614 C613 H61C 118.7 . . ?
C613 C614 C615 115.2(6) . . ?
C613 C614 H61D 122.4 . . ?
C615 C614 H61D 122.4 . . ?
C615 C616 C617 116.6(6) . . ?
C615 C616 H61E 121.7 . . ?
C617 C616 H61E 121.7 . . ?
C616 C617 C612 122.8(6) . . ?
C616 C617 H61F 118.6 . . ?
C612 C617 H61F 118.6 . . ?
C611 N03F C09F 124.0(13) . . ?
C611 N03F H03A 118.0 . . ?
C09F N03F H03A 118.0 . . ?
N602 C06F C605 120.2(14) . . ?
N602 C06F C07F 118.5(15) . . ?
C605 C06F C07F 117.0(15) . . ?
C08F C07F C06F 113.0(16) . . ?
C08F C07F H07A 123.5 . . ?
C06F C07F H07A 123.5 . . ?
C09F C08F C07F 117.6(17) . . ?
C09F C08F H08A 121.2 . . ?
C07F C08F H08A 121.2 . . ?
C10F C09F C08F 123.7(18) . . ?
C10F C09F N03F 116.0(17) . . ?
C08F C09F N03F 115.7(16) . . ?
C09F C10F N602 112.6(16) . . ?
C09F C10F H10M 123.7 . . ?
N602 C10F H10M 123.7 . . ?
C13F C12F C17F 128.1(8) . . ?
C13F C12F C611 100.0(6) . . ?
C17F C12F C611 131.3(7) . . ?
C12F C13F C14F 111.9(7) . . ?
C12F C13F H13J 124.1 . . ?
C14F C13F H13J 124.1 . . ?
C615 C14F C13F 127.1(8) . . ?
C615 C14F H14H 116.5 . . ?
C13F C14F H14H 116.5 . . ?
C17F C16F C615 126.0(8) . . ?
C17F C16F H16G 117.0 . . ?
C615 C16F H16G 117.0 . . ?
C12F C17F C16F 110.4(8) . . ?
C12F C17F H17B 124.8 . . ?
C16F C17F H17B 124.8 . . ?
O601 C611 N603 119.4(6) . . ?
O601 C611 N03F 122.2(8) . . ?
O601 C611 C12F 122.6(7) . . ?
N03F C611 C12F 107.2(8) . . ?
O601 C611 C612 115.1(5) . . ?
N603 C611 C612 122.1(6) . . ?
C616 C615 C614 124.9(5) . . ?
C14F C615 C16F 106.6(6) . . ?
C616 C615 C60G 93.3(6) . . ?
C14F C615 C60G 120.2(7) . . ?
C614 C615 C60G 140.5(6) . . ?
C16F C615 C60G 109.9(7) . . ?
C616 C615 C60H 124.4(6) . . ?
C14F C615 C60H 139.0(6) . . ?
C614 C615 C60H 109.7(5) . . ?
C16F C615 C60H 113.7(6) . . ?
C60G C615 C60H 37.6(6) . . ?
C622 N604 C618 122.8(6) . . ?
C622 N604 Zn7 114.7(4) . . ?
C618 N604 Zn7 122.5(5) . . ?
C627 N605 C623 117.7(5) . . ?
C627 N605 Zn7 127.8(4) . . ?
C623 N605 Zn7 114.2(4) . . ?
C28F N606 C626 133.4(8) . . ?
C628 N606 C626 133.0(6) . . ?
C28F N606 H60J 113.8 . . ?
C626 N606 H60J 112.5 . . ?
C628 N606 H60I 113.4 . . ?
C626 N606 H60I 113.6 . . ?
N604 C618 C619 117.6(7) . . ?
N604 C618 H61G 121.2 . . ?
C619 C618 H61G 121.2 . . ?
C620 C619 C618 122.1(7) . . ?
C620 C619 H61H 118.9 . . ?
C618 C619 H61H 118.9 . . ?
C619 C620 C621 116.7(7) . . ?
C619 C620 H62A 121.7 . . ?
C621 C620 H62A 121.7 . . ?
C620 C621 C622 119.3(7) . . ?
C620 C621 H62B 120.4 . . ?
C622 C621 H62B 120.4 . . ?
N604 C622 C621 120.8(6) . . ?
N604 C622 C623 120.3(6) . . ?
C621 C622 C623 118.8(6) . . ?
C624 C623 N605 120.0(6) . . ?
C624 C623 C622 126.1(6) . . ?
N605 C623 C622 113.6(5) . . ?
C623 C624 C625 120.1(6) . . ?
C623 C624 H62C 119.9 . . ?
C625 C624 H62C 119.9 . . ?
C626 C625 C624 119.6(6) . . ?
C626 C625 H62D 120.2 . . ?
C624 C625 H62D 120.2 . . ?
C625 C626 C627 119.0(6) . . ?
C625 C626 N606 122.2(6) . . ?
C627 C626 N606 118.7(5) . . ?
N605 C627 C626 123.3(6) . . ?
N605 C627 H62E 118.4 . . ?
C626 C627 H62E 118.4 . . ?
C633 C632 C631 121.9(7) . . ?
C31F C632 C61H 104.4(11) . . ?
C633 C632 C61H 104.1(7) . . ?
C631 C632 C61H 121.8(8) . . ?
C31F C632 C60G 135.2(12) . . ?
C633 C632 C60G 120.0(7) . . ?
C631 C632 C60G 118.1(7) . . ?
C61H C632 C60G 39.3(6) . . ?
C31F C632 C33F 121.5(12) . . ?
C61H C632 C33F 133.5(8) . . ?
C60G C632 C33F 100.8(8) . . ?
O602 O62' C628 55.8(12) . . ?
O62' O602 C628 87.3(15) . . ?
N606 C628 O602 115.8(10) . . ?
N606 C628 O62' 117.6(9) . . ?
O602 C628 O62' 36.9(8) . . ?
N606 C628 C629 121.5(8) . . ?
O602 C628 C629 120.7(11) . . ?
O62' C628 C629 116.1(9) . . ?
C629 C630 C631 116.1(8) . . ?
C629 C630 H63A 122.0 . . ?
C631 C630 H63A 122.0 . . ?
C629 C634 C633 115.7(9) . . ?
C629 C634 H63B 122.2 . . ?
C633 C634 H63B 122.2 . . ?
C634 C629 C630 127.1(9) . . ?
C634 C629 C628 116.8(8) . . ?
C630 C629 C628 115.3(8) . . ?
C630 C631 C632 112.2(8) . . ?
C630 C631 H63C 123.9 . . ?
C632 C631 H63C 123.9 . . ?
C634 C633 C632 121.7(9) . . ?
C634 C633 H63D 119.2 . . ?
C632 C633 H63D 119.2 . . ?
N606 C28F O02F 117.1(12) . . ?
N606 C28F C29F 100.8(11) . . ?
O02F C28F C29F 135.8(12) . . ?
C34F C29F C30F 107.4(12) . . ?
C34F C29F C28F 105.7(12) . . ?
C30F C29F C28F 136.7(13) . . ?
C34F C33F C632 109.4(11) . . ?
C34F C33F H33J 125.3 . . ?
C632 C33F H33J 125.3 . . ?
C31F C30F C29F 123.5(15) . . ?
C31F C30F H30L 118.2 . . ?
C29F C30F H30L 118.2 . . ?
C632 C31F C30F 124.3(16) . . ?
C632 C31F H31M 117.9 . . ?
C30F C31F H31M 117.9 . . ?
C29F C34F C33F 124.1(14) . . ?
C29F C34F H34H 117.9 . . ?
C33F C34F H34H 117.9 . . ?
N607 C635 C636 119.5(8) . . ?
N607 C635 H63E 120.3 . . ?
C636 C635 H63E 120.3 . . ?
C637 C636 C635 119.7(8) . . ?
C637 C636 H63F 120.1 . . ?
C635 C636 H63F 120.1 . . ?
C636 C637 C638 119.6(8) . . ?
C636 C637 H63G 120.2 . . ?
C638 C637 H63G 120.2 . . ?
C639 C638 C637 118.6(8) . . ?
C639 C638 H63H 120.7 . . ?
C637 C638 H63H 120.7 . . ?
C638 C639 N607 123.1(7) . . ?
C638 C639 C640 124.3(7) . . ?
N607 C639 C640 112.6(7) . . ?
C641 C640 N608 122.8(8) . . ?
C641 C640 C639 120.6(8) . . ?
N608 C640 C639 116.6(7) . . ?
C640 C641 C642 119.9(9) . . ?
C640 C641 H64B 120.1 . . ?
C642 C641 H64B 120.1 . . ?
C643 C642 C641 118.9(9) . . ?
C643 C642 H64C 120.5 . . ?
C641 C642 H64C 120.5 . . ?
C642 C643 C644 119.5(9) . . ?
C642 C643 N609 124.8(8) . . ?
C644 C643 N609 115.6(8) . . ?
N608 C644 C643 123.5(9) . . ?
N608 C644 H64D 118.3 . . ?
C643 C644 H64D 118.3 . . ?
C639 N607 C635 118.3(7) . . ?
C639 N607 Zn8 111.0(5) . . ?
C635 N607 Zn8 130.3(6) . . ?
C644 N608 C640 115.3(7) . . ?
C644 N608 Zn8 132.2(6) . . ?
C640 N608 Zn8 112.2(6) . . ?
N07F C35F C36F 117.2(8) . . ?
N07F C35F H35I 121.4 . . ?
C36F C35F H35I 121.4 . . ?
C37F C36F C35F 120.4(9) . . ?
C37F C36F H36G 119.8 . . ?
C35F C36F H36G 119.8 . . ?
N07F C39F C38F 122.6(9) . . ?
N07F C39F C40F 115.0(8) . . ?
C38F C39F C40F 122.5(8) . . ?
C36F C37F C38F 119.8(9) . . ?
C36F C37F H37A 120.1 . . ?
C38F C37F H37A 120.1 . . ?
C39F C38F C37F 116.8(8) . . ?
C39F C38F H38A 121.6 . . ?
C37F C38F H38A 121.6 . . ?
C41F C40F N08F 123.3(10) . . ?
C41F C40F C39F 121.1(10) . . ?
N08F C40F C39F 115.6(9) . . ?
C43F C42F C41F 108.1(10) . . ?
C43F C42F H42G 126.0 . . ?
C41F C42F H42G 126.0 . . ?
C44F C43F C42F 129.0(12) . . ?
C44F C43F N09F 118.5(11) . . ?
C42F C43F N09F 112.3(10) . . ?
C43F C44F N08F 124.4(11) . . ?
C43F C44F H44G 117.8 . . ?
N08F C44F H44G 117.8 . . ?
C40F C41F C42F 122.0(11) . . ?
C40F C41F H41K 119.0 . . ?
C42F C41F H41K 119.0 . . ?
C39F N07F C35F 122.2(8) . . ?
C39F N07F Zn8 123.3(6) . . ?
C35F N07F Zn8 114.5(5) . . ?
C40F N08F C44F 112.9(9) . . ?
C40F N08F Zn8 120.2(7) . . ?
C44F N08F Zn8 126.8(7) . . ?
C48F C649 C50F 129.1(11) . . ?
C48F C649 C61H 125.3(9) . . ?
C50F C649 C61H 104.3(9) . . ?
C650 C649 C61H 125.9(9) . . ?
C650 C649 C648 122.9(9) . . ?
C61H C649 C648 110.2(8) . . ?
C48F C649 C61G 119.6(9) . . ?
C50F C649 C61G 107.6(9) . . ?
C650 C649 C61G 100.7(8) . . ?
C61H C649 C61G 34.1(5) . . ?
C648 C649 C61G 134.7(8) . . ?
C647 C646 C651 128.6(10) . . ?
C47F C646 C51F 119.5(10) . . ?
C47F C646 C45F 133.2(10) . . ?
C51F C646 C45F 99.9(8) . . ?
C647 C646 C645 112.1(9) . . ?
C651 C646 C645 110.3(8) . . ?
N609 C645 O603 134.3(13) . . ?
N609 C645 C646 119.2(11) . . ?
O603 C645 C646 106.5(10) . . ?
C645 N609 C643 128.1(11) . . ?
C645 N609 H60G 115.9 . . ?
C643 N609 H60G 115.9 . . ?
C646 C647 C648 115.0(12) . . ?
C646 C647 H64E 122.5 . . ?
C648 C647 H64E 122.5 . . ?
C647 C648 C649 113.1(11) . . ?
C647 C648 H64F 123.5 . . ?
C649 C648 H64F 123.5 . . ?
C649 C650 C651 113.4(12) . . ?
C649 C650 H65D 123.3 . . ?
C651 C650 H65D 123.3 . . ?
C646 C651 C650 121.0(12) . . ?
C646 C651 H65E 119.5 . . ?
C650 C651 H65E 119.5 . . ?
C43F N09F C45F 120.6(9) . . ?
C43F N09F H09B 119.7 . . ?
C45F N09F H09B 119.7 . . ?
O3F C45F N09F 135.9(11) . . ?
O3F C45F C646 125.4(11) . . ?
N09F C45F C646 94.9(7) . . ?
C646 C47F C48F 124.3(13) . . ?
C646 C47F H47C 117.9 . . ?
C48F C47F H47C 117.9 . . ?
C649 C48F C47F 119.8(12) . . ?
C649 C48F H48A 120.1 . . ?
C47F C48F H48A 120.1 . . ?
C649 C50F C51F 114.0(13) . . ?
C649 C50F H50L 123.0 . . ?
C51F C50F H50L 123.0 . . ?
C50F C51F C646 111.3(11) . . ?
C50F C51F H51I 124.4 . . ?
C646 C51F H51I 124.4 . . ?
C60H C60G C61H 67.8(11) . . ?
C60H C60G C61G 37.7(8) . . ?
C61H C60G C61G 44.6(9) . . ?
C60H C60G C615 81.8(10) . . ?
C61H C60G C615 144.9(13) . . ?
C61G C60G C615 115.8(9) . . ?
C60H C60G C632 133.8(12) . . ?
C61H C60G C632 70.2(9) . . ?
C61G C60G C632 113.1(9) . . ?
C615 C60G C632 127.7(8) . . ?
C60H C61G C61H 84.2(15) . . ?
C60H C61G C60G 51.1(11) . . ?
C61H C61G C60G 53.7(10) . . ?
C60H C61G C666 71.5(11) . . ?
C61H C61G C666 146.9(13) . . ?
C60G C61G C666 118.3(9) . . ?
C60H C61G C649 145.6(14) . . ?
C61H C61G C649 71.2(10) . . ?
C60G C61G C649 121.6(9) . . ?
C666 C61G C649 118.3(7) . . ?
C61G C60H C60G 91.1(15) . . ?
C61G C60H C61H 52.6(11) . . ?
C60G C60H C61H 58.0(10) . . ?
C61G C60H C666 77.6(12) . . ?
C60G C60H C666 153.4(12) . . ?
C61H C60H C666 125.8(11) . . ?
C61G C60H C615 142.8(15) . . ?
C60G C60H C615 60.5(9) . . ?
C61H C60H C615 116.2(11) . . ?
C666 C60H C615 116.5(7) . . ?
C61G C61H C60G 81.6(13) . . ?
C61G C61H C60H 43.2(9) . . ?
C60G C61H C60H 54.2(9) . . ?
C61G C61H C649 74.7(11) . . ?
C60G C61H C649 148.8(13) . . ?
C60H C61H C649 114.1(11) . . ?
C61G C61H C632 147.5(15) . . ?
C60G C61H C632 70.5(10) . . ?
C60H C61H C632 121.6(11) . . ?
C649 C61H C632 123.2(8) . . ?
C656 N610 C652 121.4(6) . . ?
C656 N610 Zn5 115.7(4) . . ?
C652 N610 Zn5 122.5(4) . . ?
C657 N611 C661 118.0(5) . . ?
C657 N611 Zn5 116.6(4) . . ?
C661 N611 Zn5 125.3(4) . . ?
C62F N612 C660 131.7(10) . . ?
C662 N612 C660 130.3(8) . . ?
C62F N612 H61J 113.9 . . ?
C660 N612 H61J 114.3 . . ?
C662 N612 H61I 114.5 . . ?
C660 N612 H61I 115.2 . . ?
N610 C652 C653 118.0(7) . . ?
N610 C652 H65F 121.0 . . ?
C653 C652 H65F 121.0 . . ?
C654 C653 C652 118.6(8) . . ?
C654 C653 H65G 120.7 . . ?
C652 C653 H65G 120.7 . . ?
C653 C654 C655 120.3(9) . . ?
C653 C654 H65H 119.9 . . ?
C655 C654 H65H 119.9 . . ?
C656 C655 C654 120.2(8) . . ?
C656 C655 H65I 119.9 . . ?
C654 C655 H65I 119.9 . . ?
N610 C656 C655 121.4(7) . . ?
N610 C656 C657 117.2(6) . . ?
C655 C656 C657 121.4(6) . . ?
N611 C657 C658 122.5(6) . . ?
N611 C657 C656 114.4(5) . . ?
C658 C657 C656 122.6(6) . . ?
C657 C658 C659 118.5(6) . . ?
C657 C658 H65J 120.8 . . ?
C659 C658 H65J 120.8 . . ?
C660 C659 C658 118.8(6) . . ?
C660 C659 H65K 120.6 . . ?
C658 C659 H65K 120.6 . . ?
C661 C660 C659 118.0(6) . . ?
C661 C660 N612 121.1(5) . . ?
C659 C660 N612 120.9(5) . . ?
N611 C661 C660 123.9(5) . . ?
N611 C661 H66C 118.1 . . ?
C660 C661 H66C 118.1 . . ?
C667 C666 C665 120.8(6) . . ?
C65F C666 C67F 121.3(7) . . ?
C65F C666 C60H 98.1(7) . . ?
C667 C666 C60H 121.2(7) . . ?
C665 C666 C60H 115.4(7) . . ?
C67F C666 C60H 135.4(8) . . ?
C65F C666 C61G 128.1(7) . . ?
C667 C666 C61G 124.3(7) . . ?
C665 C666 C61G 112.9(6) . . ?
C67F C666 C61G 109.5(7) . . ?
C60H C666 C61G 30.9(5) . . ?
O64' O604 C662 103(2) . . ?
O604 O64' C662 51(2) . . ?
N612 C662 O604 118.4(15) . . ?
N612 C662 O64' 133.9(11) . . ?
O604 C662 O64' 25.9(10) . . ?
N612 C662 C663 119.7(10) . . ?
O604 C662 C663 121.3(13) . . ?
O64' C662 C663 104.9(10) . . ?
C664 C663 C668 119.3(9) . . ?
C664 C663 C662 119.2(8) . . ?
C668 C663 C662 120.8(8) . . ?
C665 C664 C663 120.0(9) . . ?
C665 C664 H66D 120.0 . . ?
C663 C664 H66D 120.0 . . ?
C664 C665 C666 121.2(8) . . ?
C664 C665 H66E 119.4 . . ?
C666 C665 H66E 119.4 . . ?
C666 C667 C668 116.0(8) . . ?
C666 C667 H66F 122.0 . . ?
C668 C667 H66F 122.0 . . ?
C663 C668 C667 120.6(9) . . ?
C663 C668 H66G 119.7 . . ?
C667 C668 H66G 119.7 . . ?
N612 C62F O04F 129.1(16) . . ?
N612 C62F C63F 120.0(13) . . ?
O04F C62F C63F 110.2(13) . . ?
C65F C64F C63F 120.1(10) . . ?
C65F C64F H64G 120.0 . . ?
C63F C64F H64G 120.0 . . ?
C68F C63F C64F 118.5(10) . . ?
C68F C63F C62F 117.1(9) . . ?
C64F C63F C62F 124.3(10) . . ?
C666 C65F C64F 119.9(10) . . ?
C666 C65F H65L 120.1 . . ?
C64F C65F H65L 120.1 . . ?
C68F C67F C666 117.6(9) . . ?
C68F C67F H67B 121.2 . . ?
C666 C67F H67B 121.2 . . ?
C63F C68F C67F 121.4(10) . . ?
C63F C68F H68D 119.3 . . ?
C67F C68F H68D 119.3 . . ?
F13 B1 F11 94.0(8) . . ?
F13 B1 F12' 118.9(8) . . ?
F13 B1 F14 110.3(6) . . ?
F11 B1 F14 130.7(8) . . ?
F12' B1 F14 103.8(7) . . ?
F13 B1 F11' 117.3(8) . . ?
F12' B1 F11' 105.0(7) . . ?
F14 B1 F11' 99.1(7) . . ?
F13 B1 F12 85.9(8) . . ?
F11 B1 F12 107.7(9) . . ?
F14 B1 F12 116.0(9) . . ?
F24 B2 F25 165.2(15) . . ?
F24 B2 F27 36.1(6) . . ?
F25 B2 F27 129.1(12) . . ?
F24 B2 F28 98.8(8) . . ?
F25 B2 F28 93.1(11) . . ?
F27 B2 F28 125.2(10) . . ?
F24 B2 F21 113.4(8) . . ?
F25 B2 F21 64.8(8) . . ?
F27 B2 F21 104.2(9) . . ?
F28 B2 F21 127.0(12) . . ?
F24 B2 F22 111.4(12) . . ?
F25 B2 F22 56.2(7) . . ?
F27 B2 F22 79.3(10) . . ?
F28 B2 F22 107.0(7) . . ?
F21 B2 F22 99.1(7) . . ?
F24 B2 F26 94.6(7) . . ?
F25 B2 F26 93.4(11) . . ?
F27 B2 F26 113.4(8) . . ?
F28 B2 F26 93.7(9) . . ?
F21 B2 F26 45.1(5) . . ?
F22 B2 F26 143.1(8) . . ?
F24 B2 F23 117.0(8) . . ?
F25 B2 F23 76.5(9) . . ?
F27 B2 F23 146.2(9) . . ?
F28 B2 F23 21.0(5) . . ?
F21 B2 F23 107.4(10) . . ?
F22 B2 F23 106.9(7) . . ?
F26 B2 F23 82.0(8) . . ?
F26 F21 B2 77.1(8) . . ?
F26 F21 F25 107.5(9) . . ?
B2 F21 F25 52.9(7) . . ?
F25 F22 B2 55.4(8) . . ?
F28 F23 B2 51.3(11) . . ?
F27 F24 B2 81.9(11) . . ?
B2 F25 F22 68.4(10) . . ?
B2 F25 F21 62.3(8) . . ?
F22 F25 F21 105.2(10) . . ?
F21 F26 B2 57.9(6) . . ?
F24 F27 B2 62.0(9) . . ?
F23 F28 B2 107.7(14) . . ?
F32 B3 F33 113.5(6) . . ?
F32 B3 F34 110.9(6) . . ?
F33 B3 F34 110.6(6) . . ?
F32 B3 F31 90.9(7) . . ?
F33 B3 F31 126.2(7) . . ?
F34 B3 F31 102.8(6) . . ?
F32 B3 F31' 115.2(8) . . ?
F33 B3 F31' 101.4(7) . . ?
F34 B3 F31' 104.4(6) . . ?
F31 B3 F31' 28.0(6) . . ?
F31' F31 B3 81.0(13) . . ?
F31 F31' B3 71.0(13) . . ?
F41 B4 F46 123.7(11) . . ?
F41 B4 F44 68.5(8) . . ?
F46 B4 F44 100.9(10) . . ?
F41 B4 F45 151.6(11) . . ?
F46 B4 F45 28.2(8) . . ?
F44 B4 F45 111.0(10) . . ?
F41 B4 F48 102.1(10) . . ?
F46 B4 F48 134.2(12) . . ?
F44 B4 F48 94.6(9) . . ?
F45 B4 F48 106.2(10) . . ?
F41 B4 F42 110.2(11) . . ?
F46 B4 F42 117.8(11) . . ?
F44 B4 F42 127.7(10) . . ?
F45 B4 F42 92.6(9) . . ?
F48 B4 F42 33.1(7) . . ?
F41 B4 F43 61.5(8) . . ?
F46 B4 F43 98.3(10) . . ?
F44 B4 F43 128.9(10) . . ?
F45 B4 F43 108.1(10) . . ?
F48 B4 F43 104.8(10) . . ?
F42 B4 F43 80.9(8) . . ?
F41 B4 F47 52.7(8) . . ?
F46 B4 F47 79.4(9) . . ?
F44 B4 F47 102.9(9) . . ?
F45 B4 F47 102.3(10) . . ?
F48 B4 F47 138.3(11) . . ?
F42 B4 F47 117.1(10) . . ?
F43 B4 F47 36.3(7) . . ?
F47 F41 B4 73.1(10) . . ?
F47 F41 F43 40.1(8) . . ?
B4 F41 F43 66.3(8) . . ?
F47 F41 F44 109.5(12) . . ?
B4 F41 F44 57.9(7) . . ?
F43 F41 F44 123.3(11) . . ?
F48 F42 B4 71.2(12) . . ?
F47 F43 F41 60.1(12) . . ?
F47 F43 B4 73.3(11) . . ?
F41 F43 B4 52.2(7) . . ?
B4 F44 F41 53.7(7) . . ?
F46 F45 B4 72.1(16) . . ?
F45 F46 B4 79.7(16) . . ?
F45 F46 F47 124(2) . . ?
B4 F46 F47 55.1(7) . . ?
F43 F47 F41 79.7(14) . . ?
F43 F47 B4 70.4(11) . . ?
F41 F47 B4 54.2(8) . . ?
F43 F47 F46 96.0(14) . . ?
F41 F47 F46 94.8(10) . . ?
B4 F47 F46 45.5(6) . . ?
F42 F48 B4 75.6(12) . . ?
F52 B5 F51 37.7(8) . . ?
F52 B5 F56 130.3(17) . . ?
F51 B5 F56 107.9(15) . . ?
F52 B5 F57 116.1(14) . . ?
F51 B5 F57 127.7(14) . . ?
F56 B5 F57 113.6(11) . . ?
F52 B5 F53 103.1(12) . . ?
F51 B5 F53 101.1(13) . . ?
F56 B5 F53 121.9(15) . . ?
F57 B5 F53 28.8(5) . . ?
F52 B5 F54 142.0(16) . . ?
F51 B5 F54 106.8(15) . . ?
F56 B5 F54 27.5(7) . . ?
F57 B5 F54 96.5(10) . . ?
F53 B5 F54 96.4(13) . . ?
F52 B5 F58 81.1(18) . . ?
F51 B5 F58 86.1(15) . . ?
F56 B5 F58 57.0(13) . . ?
F57 B5 F58 143.6(17) . . ?
F53 B5 F58 172.4(17) . . ?
F54 B5 F58 83.7(14) . . ?
F52 B5 F55 93.2(12) . . ?
F51 B5 F55 59.6(10) . . ?
F56 B5 F55 87.9(13) . . ?
F57 B5 F55 91.1(12) . . ?
F53 B5 F55 65.3(10) . . ?
F54 B5 F55 65.8(9) . . ?
F58 B5 F55 121.1(15) . . ?
F52 F51 B5 54.2(14) . . ?
F52 F51 F55 126.1(15) . . ?
B5 F51 F55 80.1(13) . . ?
F51 F52 B5 88.1(17) . . ?
F51 F52 F58 93.8(16) . . ?
B5 F52 F58 63.6(15) . . ?
F57 F53 B5 74.8(11) . . ?
F56 F54 B5 57.8(14) . . ?
F51 F55 B5 40.3(6) . . ?
F54 F56 B5 94.7(17) . . ?
F54 F56 F58 160(2) . . ?
B5 F56 F58 71.3(16) . . ?
F53 F57 B5 76.4(11) . . ?
F56 F58 B5 51.7(13) . . ?
F56 F58 F52 83.9(16) . . ?
B5 F58 F52 35.3(8) . . ?
F63 B6 F62 104.9(10) . . ?
F63 B6 F66 128.8(10) . . ?
F62 B6 F66 118.4(9) . . ?
F63 B6 F68 115.7(8) . . ?
F62 B6 F68 82.0(8) . . ?
F66 B6 F68 51.1(6) . . ?
F63 B6 F64 115.5(8) . . ?
F62 B6 F64 122.8(9) . . ?
F66 B6 F64 62.4(7) . . ?
F68 B6 F64 111.9(8) . . ?
F63 B6 F65 54.1(6) . . ?
F62 B6 F65 126.5(10) . . ?
F66 B6 F65 110.0(9) . . ?
F68 B6 F65 150.2(10) . . ?
F64 B6 F65 62.8(6) . . ?
F63 B6 F67 47.1(8) . . ?
F62 B6 F67 100.7(10) . . ?
F66 B6 F67 96.5(11) . . ?
F68 B6 F67 68.6(8) . . ?
F64 B6 F67 136.4(11) . . ?
F65 B6 F67 94.9(9) . . ?
F63 B6 F61 107.3(8) . . ?
F62 B6 F61 28.7(6) . . ?
F66 B6 F61 123.9(7) . . ?
F68 B6 F61 106.0(7) . . ?
F64 B6 F61 98.4(7) . . ?
F65 B6 F61 103.8(7) . . ?
F67 B6 F61 124.0(10) . . ?
F62 F61 B6 53.3(10) . . ?
F61 F62 B6 98.0(13) . . ?
F61 F62 F68 137.1(14) . . ?
B6 F62 F68 51.3(6) . . ?
F67 F63 F65 132.7(14) . . ?
F67 F63 B6 77.9(11) . . ?
F65 F63 B6 70.1(7) . . ?
B6 F64 F66 56.8(6) . . ?
B6 F64 F65 59.8(6) . . ?
F66 F64 F65 103.5(7) . . ?
F63 F65 B6 55.8(6) . . ?
F63 F65 F64 112.0(8) . . ?
B6 F65 F64 57.5(5) . . ?
F68 F66 B6 65.3(8) . . ?
F68 F66 F64 124.2(11) . . ?
B6 F66 F64 60.9(7) . . ?
F63 F67 B6 54.9(9) . . ?
F63 F67 F68 106.4(14) . . ?
B6 F67 F68 51.5(7) . . ?
F66 F68 B6 63.6(8) . . ?
F66 F68 F67 98.3(10) . . ?
B6 F68 F67 60.0(8) . . ?
F66 F68 F62 99.8(9) . . ?
B6 F68 F62 46.6(6) . . ?
F67 F68 F62 79.5(8) . . ?
F85 B8 F84 101.1(12) . . ?
F85 B8 F81 170.3(17) . . ?
F84 B8 F81 70.8(14) . . ?
F85 B8 F82 121.8(14) . . ?
F84 B8 F82 134.5(12) . . ?
F81 B8 F82 67.5(14) . . ?
F85 B8 F88 96.1(19) . . ?
F84 B8 F88 140(2) . . ?
F81 B8 F88 87(2) . . ?
F82 B8 F88 55.0(14) . . ?
F85 B8 F86 64.4(11) . . ?
F84 B8 F86 37.2(7) . . ?
F81 B8 F86 106.8(15) . . ?
F82 B8 F86 169.7(13) . . ?
F88 B8 F86 134.6(17) . . ?
F85 B8 F87 86.3(12) . . ?
F84 B8 F87 163.8(12) . . ?
F81 B8 F87 102.9(14) . . ?
F82 B8 F87 35.5(6) . . ?
F88 B8 F87 51.8(17) . . ?
F86 B8 F87 149.7(10) . . ?
F85 B8 F83 71.1(11) . . ?
F84 B8 F83 167.4(12) . . ?
F81 B8 F83 117.8(14) . . ?
F82 B8 F83 50.9(7) . . ?
F88 B8 F83 52.4(18) . . ?
F86 B8 F83 135.4(10) . . ?
F87 B8 F83 15.7(5) . . ?
B8 F81 F82 56.4(10) . . ?
B8 F81 F84 53.9(10) . . ?
F82 F81 F84 108.1(14) . . ?
F87 F82 F83 9.4(7) . . ?
F87 F82 F88 67(2) . . ?
F83 F82 F88 60(2) . . ?
F87 F82 B8 74.5(10) . . ?
F83 F82 B8 66.1(8) . . ?
F88 F82 B8 62.5(12) . . ?
F87 F82 F81 130.3(14) . . ?
F83 F82 F81 121.4(13) . . ?
F88 F82 F81 85(2) . . ?
B8 F82 F81 56.1(10) . . ?
F82 F83 F88 63.1(15) . . ?
F82 F83 B8 63.0(8) . . ?
F88 F83 B8 62.4(13) . . ?
F82 F83 F85 114.5(11) . . ?
F88 F83 F85 89.8(15) . . ?
B8 F83 F85 51.8(8) . . ?
F86 F84 B8 74.4(12) . . ?
F86 F84 F81 127.7(17) . . ?
B8 F84 F81 55.3(10) . . ?
B8 F85 F86 60.2(10) . . ?
B8 F85 F83 57.1(9) . . ?
F86 F85 F83 117.2(13) . . ?
F84 F86 B8 68.4(11) . . ?
F84 F86 F85 122.8(15) . . ?
B8 F86 F85 55.3(9) . . ?
F82 F87 F88 73.4(18) . . ?
F82 F87 B8 70.0(10) . . ?
F88 F87 B8 62.7(12) . . ?
F87 F88 F83 18.1(8) . . ?
F87 F88 F82 39.9(12) . . ?
F83 F88 F82 57.2(17) . . ?
F87 F88 B8 65.5(15) . . ?
F83 F88 B8 65.2(15) . . ?
F82 F88 B8 62.4(13) . . ?
F123 B12 F124 132(2) . . ?
F123 B12 F122 110(2) . . ?
F124 B12 F122 117.6(18) . . ?
F123 B12 F121 103.2(19) . . ?
F124 B12 F121 33.7(9) . . ?
F122 B12 F121 141.1(17) . . ?
F124 F121 B12 53.8(14) . . ?
F121 F124 B12 92.4(17) . . ?
F136 B13 F133 59(2) . . ?
F136 B13 F134 94(2) . . ?
F133 B13 F134 141(2) . . ?
F136 B13 F135 118(2) . . ?
F133 B13 F135 107(2) . . ?
F134 B13 F135 58.5(16) . . ?
F136 B13 F131 133(2) . . ?
F133 B13 F131 135(2) . . ?
F134 B13 F131 44.7(10) . . ?
F135 B13 F131 29.8(13) . . ?
F136 B13 F132 39.0(16) . . ?
F133 B13 F132 48.1(14) . . ?
F134 B13 F132 126.7(16) . . ?
F135 B13 F132 149(2) . . ?
F131 B13 F132 171.2(14) . . ?
F135 F131 F134 95(3) . . ?
F135 F131 B13 71.2(19) . . ?
F134 F131 B13 64.2(11) . . ?
F136 F132 F133 78(2) . . ?
F136 F132 B13 62.4(14) . . ?
F133 F132 B13 60.4(12) . . ?
F132 F133 F136 44.0(19) . . ?
F132 F133 B13 71.5(14) . . ?
F136 F133 B13 59.6(15) . . ?
F131 F134 F135 32.6(14) . . ?
F131 F134 B13 71.1(12) . . ?
F135 F134 B13 61.4(13) . . ?
F131 F135 F134 52(2) . . ?
F131 F135 B13 79(2) . . ?
F134 F135 B13 60.1(13) . . ?
F132 F136 F133 58(2) . . ?
F132 F136 B13 78.6(19) . . ?
F133 F136 B13 61.0(15) . . ?
C5Y O5Y C9Y 116.4(13) . . ?
O6Y C1Y C6Y 125.6(11) . . ?
O6Y C1Y C2Y 114.8(9) . . ?
C6Y C1Y C2Y 118.8(8) . . ?
C1Y C2Y C3Y 120.0(8) . . ?
C1Y C2Y Br1 121.7(6) . . ?
C3Y C2Y Br1 118.2(6) . . ?
C4Y C3Y C2Y 120.2(8) . . ?
C4Y C3Y H3YA 119.9 . . ?
C2Y C3Y H3YA 119.9 . . ?
C5Y C4Y C3Y 119.1(9) . . ?
C5Y C4Y C7Y 121.5(13) . . ?
C3Y C4Y C7Y 119.3(13) . . ?
O5Y C5Y C4Y 123.6(13) . . ?
O5Y C5Y C6Y 108.7(11) . . ?
C4Y C5Y C6Y 118.7(9) . . ?
C1Y C6Y C5Y 120.2(8) . . ?
C1Y C6Y Br3 120.0(6) . . ?
C5Y C6Y Br3 119.2(6) . . ?
C14Y C7Y C4Y 132(2) . . ?
C14Y C7Y C8Y 109(2) . . ?
C4Y C7Y C8Y 119.0(19) . . ?
C13Y C8Y C9Y 124.1(8) . . ?
C13Y C8Y C7Y 121.9(12) . . ?
C9Y C8Y C7Y 113.2(12) . . ?
C8Y C9Y C10Y 114.4(8) . . ?
C8Y C9Y O5Y 123.1(9) . . ?
C10Y C9Y O5Y 122.5(9) . . ?
C11Y C10Y C9Y 123.2(8) . . ?
C11Y C10Y Br2 125.4(6) . . ?
C9Y C10Y Br2 111.2(6) . . ?
O4Y C11Y C12Y 115.0(12) . . ?
O4Y C11Y C10Y 131.0(14) . . ?
C12Y C11Y C10Y 113.0(9) . . ?
C13Y C12Y C11Y 118.8(10) . . ?
C13Y C12Y Br4 114.5(7) . . ?
C11Y C12Y Br4 110.6(6) . . ?
C12Y C13Y C8Y 113.6(8) . . ?
C12Y C13Y H13K 123.2 . . ?
C8Y C13Y H13K 123.2 . . ?
C7Y C14Y C19Y 104.4(13) . . ?
C7Y C14Y C15Y 129.9(13) . . ?
C19Y C14Y C15Y 122.3(8) . . ?
C14Y C15Y C16Y 116.9(7) . . ?
C14Y C15Y C1YY 121.2(8) . . ?
C16Y C15Y C1YY 119.9(8) . . ?
C15Y C16Y C17Y 121.8(7) . . ?
C15Y C16Y H16H 119.1 . . ?
C17Y C16Y H16H 119.1 . . ?
C18Y C17Y C16Y 117.5(8) . . ?
C18Y C17Y H17C 121.2 . . ?
C16Y C17Y H17C 121.2 . . ?
C17Y C18Y C19Y 121.2(8) . . ?
C17Y C18Y H18B 119.4 . . ?
C19Y C18Y H18B 119.4 . . ?
C14Y C19Y C18Y 118.0(8) . . ?
C14Y C19Y H19B 121.0 . . ?
C18Y C19Y H19B 121.0 . . ?
O2YY C1YY O1YY 91.1(11) . . ?
O2YY C1YY C15Y 102.3(11) . . ?
O1YY C1YY C15Y 166.6(14) . . ?
O850 C853 C852 60.5(15) . . ?
C851 C852 O850 160.0(17) . . ?
C851 C852 C853 165.8(15) . . ?
O850 C852 C853 32.7(9) . . ?
C853 O850 C852 86.7(18) . . ?
C762 N760 C763 125.9(11) . . ?
C762 N760 C761 117.6(12) . . ?
C763 N760 C761 116.3(11) . . ?
O760 C763 N760 113.8(12) . . ?
C703 N700 C702 144.5(11) . . ?
C703 N700 C701 108.5(10) . . ?
C702 N700 C701 105.0(9) . . ?
O700 C703 N700 108.7(10) . . ?
C723 N720 C722 133.4(13) . . ?
C723 N720 C721 112.0(12) . . ?
C722 N720 C721 113.7(12) . . ?
O720 C723 N720 123.7(14) . . ?
O3W O730 C733 83.9(14) . . ?
O730 C733 N730 161(2) . . ?
O730 C733 O3W 39.2(9) . . ?
N730 C733 O3W 123.1(17) . . ?
C733 N730 C732 127.4(14) . . ?
C733 N730 C731 116.7(13) . . ?
C732 N730 C731 115.5(11) . . ?
O730 O3W C733 56.9(12) . . ?
C773 O770 N770 57.2(9) . . ?
C771 N770 C773 107.0(14) . . ?
C771 N770 C772 108.5(15) . . ?
C773 N770 C772 106.0(14) . . ?
C771 N770 O770 88.6(13) . . ?
C773 N770 O770 44.5(8) . . ?
C772 N770 O770 74.3(11) . . ?
O770 C773 N770 78.3(11) . . ?
C783 O780 O781 54.7(13) . . ?
C783 O781 O780 57.3(14) . . ?
C782 N780 C781 136.3(11) . . ?
C782 N780 C783 104.1(10) . . ?
C781 N780 C783 119.6(10) . . ?
O781 C783 O780 68.0(19) . . ?
O781 C783 N780 172(2) . . ?
O780 C783 N780 105.6(15) . . ?
C792 N790 C793 118.0(9) . . ?
C792 N790 C791 130.6(10) . . ?
C793 N790 C791 110.9(9) . . ?
O790 C793 N790 116.8(13) . . ?
C813 N810 C811 121.5(12) . . ?
C813 N810 C812 121.5(10) . . ?
C811 N810 C812 116.4(12) . . ?
O810 C813 N810 113.8(11) . . ?
C822 O820 C823 135.0(17) . . ?
C822 O820 C821 61.3(9) . . ?
C823 O820 C821 145(2) . . ?
O820 C821 C822 59.1(9) . . ?
O820 C822 C821 59.7(11) . . ?
O820 C822 O19W 94.8(14) . . ?
C821 C822 O19W 147.3(15) . . ?
C824 C823 O820 94.6(15) . . ?
O830 C832 C833 5.6(9) . . ?
C832 O830 C833 169.7(17) . . ?
C832 O830 C831 6.8(13) . . ?
C833 O830 C831 170.6(13) . . ?
C832 O830 C834 176.3(14) . . ?
C833 O830 C834 8.4(10) . . ?
C831 O830 C834 176.7(10) . . ?
C834 C833 O830 158(3) . . ?
C834 C833 C832 163(2) . . ?
O830 C833 C832 4.6(8) . . ?
C833 C834 O830 13.2(16) . . ?
C873 N870 C872 140.0(13) . . ?
C873 N870 C871 99.5(11) . . ?
C872 N870 C871 120.2(13) . . ?
O870 C873 N870 86.3(10) . . ?
C963 N960 C961 128.3(10) . . ?
C963 N960 C962 115.2(11) . . ?
C961 N960 C962 115.9(11) . . ?
O961 C961 N960 122.6(13) . . ?
O960 C963 N960 114.6(15) . . ?
C902 O900 C903 120.9(15) . . ?
O900 C902 C901 173.7(18) . . ?
C904 C903 O900 140(2) . . ?
C862 C861 O860 50.3(6) . . ?
C863 O860 C862 160.2(12) . . ?
C863 O860 C861 111.5(9) . . ?
C862 O860 C861 51.0(6) . . ?
O860 C863 C864 132.3(14) . . ?
O860 C862 C861 78.7(8) . . ?
O30W O910 O1G 174.5(14) . . ?
O30W O910 C913 43.6(7) . . ?
O1G O910 C913 134.4(11) . . ?
O30W C913 C914 124.7(12) . . ?
O30W C913 O910 49.3(8) . . ?
C914 C913 O910 174.0(11) . . ?
C913 C914 O31W 138.1(10) . . ?
C913 O30W O910 87.0(11) . . ?
O910 O1G C911 119.2(9) . . ?
C713 O710 C712 87(2) . . ?
C713 O710 C711 151(2) . . ?
C712 O710 C711 65.4(14) . . ?
C713 O710 N710 99(2) . . ?
C712 O710 N710 41.1(12) . . ?
C711 O710 N710 55.3(13) . . ?
O710 C713 C712 56.1(17) . . ?
O710 C713 N710 54.6(18) . . ?
C712 C713 N710 32.3(9) . . ?
C712 N710 C711 71.5(18) . . ?
C712 N710 O710 49.4(14) . . ?
C711 N710 O710 59.1(14) . . ?
C712 N710 C713 47.9(14) . . ?
C711 N710 C713 85.3(15) . . ?
O710 N710 C713 26.8(9) . . ?
N710 C712 O711 124(2) . . ?
N710 C712 O710 89.4(19) . . ?
O711 C712 O710 145(2) . . ?
N710 C712 C713 99.8(18) . . ?
O711 C712 C713 119.6(16) . . ?
O710 C712 C713 37.3(12) . . ?
N710 C712 C711 66.6(17) . . ?
O711 C712 C711 129.3(17) . . ?
O710 C712 C711 66.7(14) . . ?
C713 C712 C711 103.7(14) . . ?
N710 C711 C712 42.0(12) . . ?
N710 C711 O710 65.6(15) . . ?
C712 C711 O710 47.8(11) . . ?

_refine_diff_density_max         1.364
_refine_diff_density_min         -0.911
_refine_diff_density_rms         0.130


# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.006 -0.014 -0.014 13403 2603 ' '
2 0.041 0.151 0.600 5 1 ' '
3 0.499 0.229 0.020 7 1 ' '
4 0.118 0.496 0.112 9 2 ' '
5 0.882 0.504 0.888 9 2 ' '
6 0.326 0.569 0.271 10 7 ' '
7 0.501 0.771 0.980 8 2 ' '
8 0.959 0.849 0.400 4 0 ' '
_platon_squeeze_details          ?


