#------------------------------------------------------------------------------
#$Date: 2020-06-02 01:51:43 +0300 (Tue, 02 Jun 2020) $
#$Revision: 252513 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/50/4135044.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4135044
loop_
_publ_author_name
'Ronson, Tanya K.'
'Wang, Yujia'
'Baldridge, Kim'
'Siegel, Jay S.'
'Nitschke, Jonathan R.'
_publ_section_title
;
 An S₁₀-symmetric 5-fold Interlocked [2]Catenane.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c03349
_journal_year                    2020
_chemical_formula_moiety
'C230 H130 Zn5 N30 S10, 2.5(C2 H3 N), 2(C B11 H12), 8(C2 F6 N O4 S2)'
_chemical_formula_sum            'C253 H161.5 B22 F48 N40.5 O32 S26 Zn5'
_chemical_formula_weight         6590.95
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 93.0730(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.5549(2)
_cell_length_b                   26.5080(3)
_cell_length_c                   47.3015(5)
_cell_measurement_reflns_used    9836
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      16.3242705224
_cell_measurement_theta_min      0.854902922159
_cell_volume                     30744.3(5)
_computing_cell_refinement
;
DIALS 2theta refinement, DIALS 1.7.1-g93fc14f4-release
;
_computing_data_collection       'Diamond GDA'
_computing_data_reduction
;
aimless (Evans, P. R. and Murshudov, G. N., 2013)
ccp4 (Winn, M. D. et al., 2011)
DIALS 1.7.1-g93fc14f4-release
pointless (Evans, P., 2006)
XIA2 0.5.432-ga4ad5612-dials-1.7 (Winter, G., 2010)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Photon counting pixel array'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'Fixed χ 3-circle diffractometer'
_diffrn_measurement_device_type  'Fluid Film Devices'
_diffrn_measurement_method       'shutterless scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMount'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_source         'Diamond Light Source Beamline I19-1'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.6889
_diffrn_reflns_av_R_equivalents  0.0766
_diffrn_reflns_av_unetI/netI     0.0943
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            69371
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        17.429
_diffrn_reflns_theta_max         17.429
_diffrn_reflns_theta_min         0.887
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.601
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.990961230145
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
CCP4 7.0.062: AIMLESS, version 0.7.2 : 27/05/18
Scaling & analysis of unmerged intensities, absorption correction using spherical harmonics
;
_exptl_crystal_colour            'light orange'
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_description       block
_exptl_crystal_F_000             13308
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.783
_refine_diff_density_min         -0.482
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3580
_refine_ls_number_reflns         21123
_refine_ls_number_restraints     7987
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1878
_refine_ls_R_factor_gt           0.1263
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²+75.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3435
_refine_ls_wR_factor_ref         0.3866
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10356
_reflns_number_total             21123
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c03349_si_008.cif
_cod_data_source_block           tkr1325_sq
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C253 H161.50 B22 F48 N40.50 O32 S26 Zn5'
_cod_database_code               4135044
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.988
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.34759(10) 0.40189(10) 0.54875(5) 0.1379(9) Uani 1 1 d . . . . .
Zn2 Zn 0.65356(9) 0.41691(9) 0.77136(6) 0.1378(9) Uani 1 1 d . . . . .
Zn3 Zn 0.44137(11) 0.35902(13) 0.94668(6) 0.1722(12) Uani 1 1 d . . . . .
Zn4 Zn -0.04045(9) 0.37984(8) 0.90706(5) 0.1228(8) Uani 1 1 d . . . . .
Zn5 Zn -0.11330(10) 0.39425(11) 0.62965(6) 0.1525(10) Uani 1 1 d . . . . .
S1 S 0.1771(2) 0.5115(2) 0.65578(12) 0.156(2) Uani 1 1 d D U . . .
S2 S 0.4003(2) 0.5072(3) 0.69299(15) 0.172(2) Uani 1 1 d D U . . .
S3 S 0.4063(2) 0.5122(3) 0.81483(15) 0.173(3) Uani 1 1 d D U . . .
S4 S 0.1892(3) 0.5123(3) 0.84789(13) 0.167(2) Uani 1 1 d D U . . .
S5 S 0.0477(2) 0.5064(3) 0.75067(13) 0.161(2) Uani 1 1 d D U . . .
N1 N 0.4252(5) 0.3785(4) 0.5287(3) 0.152(6) Uani 1 1 d D U . . .
N2 N 0.3356(4) 0.3268(4) 0.5398(2) 0.127(5) Uani 1 1 d D U . . .
N3 N 0.2696(5) 0.3783(5) 0.5692(3) 0.134(5) Uani 1 1 d D U . . .
N4 N 0.7219(5) 0.4025(4) 0.8064(3) 0.149(6) Uani 1 1 d D U . . .
N5 N 0.6703(4) 0.3426(4) 0.7684(3) 0.131(5) Uani 1 1 d D U . . .
N6 N 0.5926(5) 0.3889(5) 0.7389(3) 0.139(5) Uani 1 1 d D U . . .
N7 N 0.4144(7) 0.3266(6) 0.9846(3) 0.219(8) Uani 1 1 d D U . . .
N8 N 0.4569(6) 0.2869(4) 0.9400(3) 0.167(6) Uani 1 1 d D U . . .
N9 N 0.4596(5) 0.3533(5) 0.9008(3) 0.144(5) Uani 1 1 d D U . . .
N10 N -0.1281(5) 0.3555(5) 0.9195(3) 0.151(5) Uani 1 1 d D U . . .
N11 N -0.0391(4) 0.3033(4) 0.9097(3) 0.136(5) Uani 1 1 d D U . . .
N12 N 0.0418(5) 0.3608(4) 0.8967(3) 0.123(5) Uani 1 1 d D U . . .
N13 N -0.1410(6) 0.3728(5) 0.5841(3) 0.174(6) Uani 1 1 d D U . . .
N14 N -0.1315(6) 0.3205(4) 0.6319(2) 0.161(6) Uani 1 1 d D U . . .
N15 N -0.0845(5) 0.3715(5) 0.6731(3) 0.142(5) Uani 1 1 d D U . . .
C1 C 0.4693(6) 0.4044(5) 0.5235(4) 0.182(8) Uani 1 1 d D U . . .
H1 H 0.472725 0.437856 0.530608 0.218 Uiso 1 1 calc R U . . .
C2 C 0.5111(6) 0.3847(6) 0.5081(4) 0.182(8) Uani 1 1 d D U . . .
H2 H 0.541719 0.405017 0.504337 0.219 Uiso 1 1 calc R U . . .
C3 C 0.5081(6) 0.3360(6) 0.4983(4) 0.174(8) Uani 1 1 d D U . . .
H3 H 0.536962 0.322109 0.488178 0.209 Uiso 1 1 calc R U . . .
C4 C 0.4619(5) 0.3069(5) 0.5035(3) 0.150(6) Uani 1 1 d D U . . .
C5 C 0.4209(4) 0.3305(4) 0.5187(3) 0.138(6) Uani 1 1 d D U . . .
C6 C 0.3724(4) 0.3030(4) 0.5244(3) 0.135(5) Uani 1 1 d D U . . .
C7 C 0.3651(5) 0.2528(4) 0.5149(3) 0.155(6) Uani 1 1 d D U . . .
C8 C 0.4076(6) 0.2306(6) 0.4998(4) 0.182(8) Uani 1 1 d D U . . .
H8 H 0.403871 0.196806 0.493366 0.218 Uiso 1 1 calc R U . . .
C9 C 0.4532(6) 0.2566(5) 0.4945(3) 0.171(7) Uani 1 1 d D U . . .
H9 H 0.480490 0.240494 0.484186 0.205 Uiso 1 1 calc R U . . .
C10 C 0.3169(6) 0.2285(5) 0.5222(3) 0.172(7) Uani 1 1 d D U . . .
H10 H 0.309879 0.194936 0.515976 0.206 Uiso 1 1 calc R U . . .
C11 C 0.2796(6) 0.2529(5) 0.5382(3) 0.154(7) Uani 1 1 d D U . . .
H11 H 0.247327 0.236470 0.543401 0.185 Uiso 1 1 calc R U . . .
C12 C 0.2909(4) 0.3023(4) 0.5464(3) 0.128(5) Uani 1 1 d D U . . .
C13 C 0.2560(6) 0.3322(6) 0.5642(3) 0.138(6) Uani 1 1 d D U . . .
H13 H 0.224465 0.318014 0.571837 0.166 Uiso 1 1 calc R U . . .
C14 C 0.2451(5) 0.4081(5) 0.5896(3) 0.133(6) Uani 1 1 d D U . . .
C15 C 0.2357(6) 0.4590(5) 0.5843(3) 0.139(6) Uani 1 1 d D U . . .
H15 H 0.242614 0.472582 0.566215 0.166 Uiso 1 1 calc R U . . .
C16 C 0.2164(6) 0.4899(5) 0.6050(3) 0.139(6) Uani 1 1 d D U . . .
H16 H 0.210848 0.524848 0.601390 0.167 Uiso 1 1 calc R U . . .
C17 C 0.2052(5) 0.4699(5) 0.6311(3) 0.146(6) Uani 1 1 d D U . . .
C18 C 0.2140(6) 0.4192(5) 0.6364(3) 0.147(7) Uani 1 1 d D U . . .
H18 H 0.206171 0.405580 0.654269 0.177 Uiso 1 1 calc R U . . .
C19 C 0.2340(6) 0.3882(5) 0.6160(3) 0.142(6) Uani 1 1 d D U . . .
H19 H 0.240144 0.353415 0.619816 0.171 Uiso 1 1 calc R U . . .
C21 C 0.7462(6) 0.4313(5) 0.8258(3) 0.171(8) Uani 1 1 d D U . . .
H21 H 0.734657 0.465478 0.826800 0.205 Uiso 1 1 calc R U . . .
C22 C 0.7877(7) 0.4153(6) 0.8449(3) 0.177(8) Uani 1 1 d D U . . .
H22 H 0.803959 0.438012 0.858407 0.213 Uiso 1 1 calc R U . . .
C23 C 0.8043(6) 0.3666(6) 0.8438(3) 0.170(7) Uani 1 1 d D U . . .
H23 H 0.832884 0.355129 0.856509 0.204 Uiso 1 1 calc R U . . .
C24 C 0.7795(5) 0.3323(5) 0.8238(3) 0.163(7) Uani 1 1 d D U . . .
C25 C 0.7380(5) 0.3534(4) 0.8057(3) 0.147(6) Uani 1 1 d D U . . .
C26 C 0.7100(4) 0.3207(4) 0.7853(2) 0.144(6) Uani 1 1 d D U . . .
C27 C 0.7235(5) 0.2689(4) 0.7840(3) 0.175(7) Uani 1 1 d D U . . .
C28 C 0.7669(6) 0.2496(6) 0.8022(4) 0.186(8) Uani 1 1 d D U . . .
H28 H 0.777316 0.215253 0.800781 0.223 Uiso 1 1 calc R U . . .
C29 C 0.7931(6) 0.2800(6) 0.8214(4) 0.185(8) Uani 1 1 d D U . . .
H29 H 0.821269 0.266331 0.833667 0.222 Uiso 1 1 calc R U . . .
C30 C 0.6924(6) 0.2396(5) 0.7641(4) 0.187(8) Uani 1 1 d D U . . .
H30 H 0.698959 0.204401 0.762630 0.224 Uiso 1 1 calc R U . . .
C31 C 0.6526(6) 0.2623(5) 0.7469(4) 0.181(8) Uani 1 1 d D U . . .
H31 H 0.632150 0.243085 0.733116 0.217 Uiso 1 1 calc R U . . .
C32 C 0.6426(5) 0.3136(4) 0.7499(3) 0.144(6) Uani 1 1 d D U . . .
C33 C 0.5984(5) 0.3414(5) 0.7347(3) 0.145(6) Uani 1 1 d D U . . .
H33 H 0.574131 0.324223 0.721651 0.174 Uiso 1 1 calc R U . . .
C34 C 0.5463(5) 0.4146(5) 0.7264(3) 0.140(6) Uani 1 1 d D U . . .
C35 C 0.5511(5) 0.4657(5) 0.7209(3) 0.143(6) Uani 1 1 d D U . . .
H35 H 0.585504 0.481866 0.723745 0.172 Uiso 1 1 calc R U . . .
C36 C 0.5060(5) 0.4936(5) 0.7111(3) 0.142(6) Uani 1 1 d D U . . .
H36 H 0.509576 0.528708 0.707640 0.171 Uiso 1 1 calc R U . . .
C37 C 0.4560(5) 0.4706(5) 0.7064(3) 0.152(6) Uani 1 1 d D U . . .
C38 C 0.4510(5) 0.4197(5) 0.7119(4) 0.161(7) Uani 1 1 d D U . . .
H38 H 0.416530 0.403715 0.708778 0.193 Uiso 1 1 calc R U . . .
C39 C 0.4957(5) 0.3915(5) 0.7218(4) 0.156(7) Uani 1 1 d D U . . .
H39 H 0.491732 0.356517 0.725451 0.188 Uiso 1 1 calc R U . . .
C41 C 0.3919(9) 0.3470(7) 1.0068(4) 0.264(11) Uani 1 1 d D U . . .
H41 H 0.376362 0.379680 1.004832 0.317 Uiso 1 1 calc R U . . .
C42 C 0.3900(9) 0.3227(9) 1.0325(4) 0.274(12) Uani 1 1 d D U . . .
H42 H 0.374226 0.339064 1.047980 0.328 Uiso 1 1 calc R U . . .
C43 C 0.4107(9) 0.2752(9) 1.0358(3) 0.278(12) Uani 1 1 d D U . . .
H43 H 0.410075 0.258725 1.053638 0.333 Uiso 1 1 calc R U . . .
C44 C 0.4332(7) 0.2507(7) 1.0127(3) 0.243(9) Uani 1 1 d D U . . .
C45 C 0.4348(6) 0.2791(6) 0.9877(3) 0.206(8) Uani 1 1 d D U . . .
C46 C 0.4567(6) 0.2565(5) 0.9629(2) 0.189(7) Uani 1 1 d D U . . .
C47 C 0.4748(7) 0.2061(5) 0.9629(3) 0.220(9) Uani 1 1 d D U . . .
C48 C 0.4718(8) 0.1792(7) 0.9891(4) 0.242(10) Uani 1 1 d D U . . .
H48 H 0.483938 0.145148 0.990025 0.290 Uiso 1 1 calc R U . . .
C49 C 0.4524(8) 0.2004(7) 1.0125(4) 0.240(10) Uani 1 1 d D U . . .
H49 H 0.451563 0.180966 1.029288 0.288 Uiso 1 1 calc R U . . .
C50 C 0.4928(8) 0.1889(6) 0.9365(4) 0.233(10) Uani 1 1 d D U . . .
H50 H 0.505545 0.155252 0.934932 0.280 Uiso 1 1 calc R U . . .
C51 C 0.4922(8) 0.2200(6) 0.9133(3) 0.225(10) Uani 1 1 d D U . . .
H51 H 0.503823 0.208020 0.895653 0.270 Uiso 1 1 calc R U . . .
C52 C 0.4743(6) 0.2692(5) 0.9160(3) 0.167(7) Uani 1 1 d D U . . .
C53 C 0.4702(7) 0.3085(5) 0.8940(3) 0.159(7) Uani 1 1 d D U . . .
H53 H 0.475495 0.300148 0.874806 0.191 Uiso 1 1 calc R U . . .
C54 C 0.4437(6) 0.3902(5) 0.8811(3) 0.151(7) Uani 1 1 d D U . . .
C55 C 0.4091(6) 0.3798(5) 0.8577(3) 0.161(7) Uani 1 1 d D U . . .
H55 H 0.394914 0.346670 0.855013 0.193 Uiso 1 1 calc R U . . .
C56 C 0.3950(6) 0.4170(5) 0.8381(3) 0.159(7) Uani 1 1 d D U . . .
H56 H 0.369168 0.410156 0.822860 0.191 Uiso 1 1 calc R U . . .
C57 C 0.4189(6) 0.4646(5) 0.8408(3) 0.149(6) Uani 1 1 d D U . . .
C58 C 0.4552(6) 0.4746(5) 0.8637(3) 0.155(7) Uani 1 1 d D U . . .
H58 H 0.472115 0.506780 0.865376 0.185 Uiso 1 1 calc R U . . .
C59 C 0.4668(6) 0.4383(5) 0.8840(3) 0.156(7) Uani 1 1 d D U . . .
H59 H 0.490453 0.445970 0.899984 0.187 Uiso 1 1 calc R U . . .
C61 C -0.1709(6) 0.3826(5) 0.9258(4) 0.176(8) Uani 1 1 d D U . . .
H61 H -0.170201 0.417977 0.922717 0.212 Uiso 1 1 calc R U . . .
C62 C -0.2170(7) 0.3611(7) 0.9369(5) 0.222(10) Uani 1 1 d D U . . .
H62 H -0.246475 0.382036 0.941794 0.267 Uiso 1 1 calc R U . . .
C63 C -0.2198(6) 0.3105(7) 0.9408(4) 0.219(9) Uani 1 1 d D U . . .
H63 H -0.251467 0.295829 0.948053 0.263 Uiso 1 1 calc R U . . .
C64 C -0.1757(5) 0.2796(5) 0.9339(3) 0.199(8) Uani 1 1 d D U . . .
C65 C -0.1301(5) 0.3050(5) 0.9240(3) 0.168(7) Uani 1 1 d D U . . .
C66 C -0.0820(4) 0.2767(4) 0.9182(3) 0.156(6) Uani 1 1 d D U . . .
C67 C -0.0805(6) 0.2237(4) 0.9218(4) 0.195(8) Uani 1 1 d D U . . .
C68 C -0.1282(7) 0.2004(6) 0.9315(4) 0.217(9) Uani 1 1 d D U . . .
H68 H -0.128374 0.164880 0.934140 0.260 Uiso 1 1 calc R U . . .
C69 C -0.1733(7) 0.2269(6) 0.9372(4) 0.221(9) Uani 1 1 d D U . . .
H69 H -0.204210 0.209490 0.943578 0.265 Uiso 1 1 calc R U . . .
C70 C -0.0314(6) 0.1998(5) 0.9156(4) 0.188(8) Uani 1 1 d D U . . .
H70 H -0.028454 0.164204 0.917334 0.225 Uiso 1 1 calc R U . . .
C71 C 0.0118(6) 0.2268(5) 0.9071(4) 0.162(7) Uani 1 1 d D U . . .
H71 H 0.044873 0.210531 0.902966 0.195 Uiso 1 1 calc R U . . .
C72 C 0.0066(4) 0.2786(4) 0.9047(3) 0.136(6) Uani 1 1 d D U . . .
C73 C 0.0496(5) 0.3128(5) 0.8964(3) 0.130(6) Uani 1 1 d D U . . .
H73 H 0.083334 0.299543 0.890721 0.157 Uiso 1 1 calc R U . . .
C74 C 0.0794(5) 0.3947(4) 0.8856(3) 0.120(5) Uani 1 1 d D U . . .
C75 C 0.1105(5) 0.3817(5) 0.8629(3) 0.125(5) Uani 1 1 d D U . . .
H75 H 0.108607 0.348518 0.855370 0.150 Uiso 1 1 calc R U . . .
C76 C 0.1441(6) 0.4170(5) 0.8513(3) 0.143(6) Uani 1 1 d D U . . .
H76 H 0.165124 0.408069 0.835809 0.172 Uiso 1 1 calc R U . . .
C77 C 0.1471(5) 0.4655(5) 0.8623(3) 0.143(6) Uani 1 1 d D U . . .
C78 C 0.1162(6) 0.4785(5) 0.8849(3) 0.136(6) Uani 1 1 d D U . . .
H78 H 0.118391 0.511773 0.892407 0.163 Uiso 1 1 calc R U . . .
C79 C 0.0825(6) 0.4437(5) 0.8966(3) 0.123(5) Uani 1 1 d D U . . .
H79 H 0.061347 0.452782 0.912078 0.148 Uiso 1 1 calc R U . . .
C81 C -0.1426(7) 0.3979(6) 0.5599(3) 0.192(8) Uani 1 1 d D U . . .
H81 H -0.126939 0.430678 0.559632 0.231 Uiso 1 1 calc R U . . .
C82 C -0.1661(8) 0.3785(7) 0.5349(3) 0.208(9) Uani 1 1 d D U . . .
H82 H -0.165871 0.397717 0.517928 0.250 Uiso 1 1 calc R U . . .
C83 C -0.1895(7) 0.3321(7) 0.5346(3) 0.203(9) Uani 1 1 d D U . . .
H83 H -0.205905 0.318887 0.517503 0.243 Uiso 1 1 calc R U . . .
C84 C -0.1892(6) 0.3034(6) 0.5598(3) 0.187(8) Uani 1 1 d D U . . .
C85 C -0.1638(5) 0.3264(5) 0.5840(2) 0.162(6) Uani 1 1 d D U . . .
C86 C -0.1590(5) 0.2980(5) 0.6099(2) 0.171(7) Uani 1 1 d D U . . .
C87 C -0.1801(6) 0.2486(5) 0.6111(3) 0.207(8) Uani 1 1 d D U . . .
C88 C -0.2068(7) 0.2274(6) 0.5865(3) 0.210(9) Uani 1 1 d D U . . .
H88 H -0.222057 0.194515 0.587157 0.252 Uiso 1 1 calc R U . . .
C89 C -0.2105(7) 0.2540(6) 0.5620(4) 0.207(9) Uani 1 1 d D U . . .
H89 H -0.227976 0.239012 0.545679 0.249 Uiso 1 1 calc R U . . .
C90 C -0.1700(8) 0.2230(6) 0.6372(3) 0.223(9) Uani 1 1 d D U . . .
H90 H -0.183083 0.189567 0.639377 0.267 Uiso 1 1 calc R U . . .
C91 C -0.1419(8) 0.2458(5) 0.6592(3) 0.206(9) Uani 1 1 d D U . . .
H91 H -0.134781 0.228366 0.676509 0.247 Uiso 1 1 calc R U . . .
C92 C -0.1237(6) 0.2949(5) 0.6559(3) 0.170(7) Uani 1 1 d D U . . .
C93 C -0.0945(7) 0.3248(6) 0.6781(3) 0.166(7) Uani 1 1 d D U . . .
H93 H -0.083425 0.309973 0.695812 0.200 Uiso 1 1 calc R U . . .
C94 C -0.0533(5) 0.4014(5) 0.6929(3) 0.139(6) Uani 1 1 d D U . . .
C95 C -0.0640(5) 0.4528(5) 0.6944(3) 0.144(6) Uani 1 1 d D U . . .
H95 H -0.093564 0.466714 0.683256 0.173 Uiso 1 1 calc R U . . .
C96 C -0.0323(5) 0.4840(5) 0.7120(3) 0.135(6) Uani 1 1 d D U . . .
H96 H -0.040382 0.518923 0.713042 0.162 Uiso 1 1 calc R U . . .
C97 C 0.0112(5) 0.4640(5) 0.7279(2) 0.128(6) Uani 1 1 d D U . . .
C98 C 0.0232(5) 0.4128(5) 0.7261(3) 0.132(6) Uani 1 1 d D U . . .
H98 H 0.054019 0.399427 0.736519 0.158 Uiso 1 1 calc R U . . .
C99 C -0.0095(6) 0.3813(5) 0.7093(3) 0.137(6) Uani 1 1 d D U . . .
H99 H -0.002294 0.346087 0.708902 0.165 Uiso 1 1 calc R U . . .
C101 C 0.1867(7) 0.4799(8) 0.6895(4) 0.145(6) Uani 1 1 d D U . . .
C102 C 0.2430(7) 0.4696(8) 0.7007(4) 0.145(6) Uani 1 1 d D U . . .
C103 C 0.2951(7) 0.4813(7) 0.6896(4) 0.141(6) Uani 1 1 d D U . . .
H103 H 0.297292 0.488347 0.670011 0.169 Uiso 1 1 calc R U . . .
C104 C 0.3428(8) 0.4826(8) 0.7075(4) 0.151(6) Uani 1 1 d D U . . .
C105 C 0.3408(7) 0.4690(8) 0.7377(4) 0.143(6) Uani 1 1 d D U . . .
C106 C 0.3781(7) 0.4845(8) 0.7606(4) 0.150(6) Uani 1 1 d D U . . .
H106 H 0.413678 0.495374 0.756601 0.180 Uiso 1 1 calc R U . . .
C107 C 0.3631(7) 0.4839(8) 0.7884(4) 0.151(6) Uani 1 1 d D U . . .
C108 C 0.3057(8) 0.4701(8) 0.7944(4) 0.151(6) Uani 1 1 d D U . . .
C109 C 0.2774(7) 0.4845(8) 0.8190(4) 0.158(7) Uani 1 1 d D U . . .
H109 H 0.297921 0.494351 0.835734 0.189 Uiso 1 1 calc R U . . .
C110 C 0.2204(8) 0.4842(9) 0.8189(4) 0.156(6) Uani 1 1 d D U . . .
C111 C 0.1876(8) 0.4696(9) 0.7936(4) 0.152(6) Uani 1 1 d D U . . .
C112 C 0.1315(7) 0.4809(8) 0.7854(4) 0.153(7) Uani 1 1 d D U . . .
H112 H 0.106997 0.488145 0.799770 0.183 Uiso 1 1 calc R U . . .
C113 C 0.1125(7) 0.4816(9) 0.7582(4) 0.150(6) Uani 1 1 d D U . . .
C114 C 0.1486(7) 0.4674(8) 0.7348(4) 0.137(6) Uani 1 1 d D U . . .
C115 C 0.1420(7) 0.4793(8) 0.7067(4) 0.140(6) Uani 1 1 d D U . . .
H115 H 0.106694 0.487202 0.698764 0.168 Uiso 1 1 calc R U . . .
C116 C 0.2445(7) 0.4486(8) 0.7271(4) 0.138(6) Uani 1 1 d D U . . .
C117 C 0.2927(7) 0.4487(8) 0.7461(4) 0.143(6) Uani 1 1 d D U . . .
C118 C 0.2755(7) 0.4477(9) 0.7740(4) 0.150(6) Uani 1 1 d D U . . .
C119 C 0.2184(7) 0.4463(8) 0.7725(4) 0.148(6) Uani 1 1 d D U . . .
C120 C 0.1983(7) 0.4498(8) 0.7438(4) 0.139(6) Uani 1 1 d D U . . .
S6 S 0.0428(2) 0.2721(2) 0.76654(12) 0.150(2) Uani 1 1 d D U . . .
S7 S 0.2064(2) 0.2628(2) 0.85569(11) 0.1359(18) Uani 1 1 d D U . . .
S8 S 0.4140(2) 0.2634(2) 0.80564(14) 0.157(2) Uani 1 1 d D U . . .
S9 S 0.3766(3) 0.2705(3) 0.68731(15) 0.198(3) Uani 1 1 d D U . . .
S10 S 0.1487(3) 0.2716(3) 0.66364(14) 0.182(3) Uani 1 1 d D U . . .
N101 N -0.0328(6) 0.4088(5) 0.9512(2) 0.122(5) Uani 1 1 d D U . . .
N102 N -0.0633(5) 0.4533(4) 0.9024(2) 0.113(4) Uani 1 1 d D U . . .
N103 N -0.0486(6) 0.3975(5) 0.8581(3) 0.120(5) Uani 1 1 d D U . . .
N104 N 0.5252(6) 0.3801(5) 0.9657(4) 0.162(6) Uani 1 1 d D U . . .
N105 N 0.4436(7) 0.4412(6) 0.9490(5) 0.216(8) Uani 1 1 d D U . . .
N106 N 0.3585(7) 0.3904(7) 0.9285(5) 0.241(9) Uani 1 1 d D U . . .
N107 N 0.7133(6) 0.4517(5) 0.7446(3) 0.151(6) Uani 1 1 d D U . . .
N108 N 0.6496(6) 0.4907(5) 0.7817(3) 0.147(5) Uani 1 1 d D U . . .
N109 N 0.5830(5) 0.4235(5) 0.7983(3) 0.139(5) Uani 1 1 d D U . . .
N110 N 0.3117(7) 0.4329(5) 0.5071(3) 0.161(6) Uani 1 1 d D U . . .
N111 N 0.3588(6) 0.4804(5) 0.5509(3) 0.130(5) Uani 1 1 d D U . . .
N112 N 0.3817(6) 0.4191(5) 0.5933(3) 0.137(5) Uani 1 1 d D U . . .
N113 N -0.1996(6) 0.4207(6) 0.6366(4) 0.179(6) Uani 1 1 d D U . . .
N114 N -0.1122(5) 0.4691(5) 0.6198(3) 0.153(5) Uani 1 1 d D U . . .
N115 N -0.0266(5) 0.4126(6) 0.6236(3) 0.143(5) Uani 1 1 d D U . . .
C201 C -0.0174(8) 0.3858(6) 0.9751(3) 0.140(6) Uani 1 1 d D U . . .
H201 H -0.000126 0.353760 0.974294 0.168 Uiso 1 1 calc R U . . .
C202 C -0.0258(8) 0.4074(7) 1.0015(3) 0.144(6) Uani 1 1 d D U . . .
H202 H -0.014421 0.389694 1.018242 0.172 Uiso 1 1 calc R U . . .
C203 C -0.0503(8) 0.4540(7) 1.0035(3) 0.157(7) Uani 1 1 d D U . . .
H203 H -0.056328 0.468514 1.021458 0.188 Uiso 1 1 calc R U . . .
C204 C -0.0662(8) 0.4796(6) 0.9783(3) 0.141(6) Uani 1 1 d D U . . .
C205 C -0.0565(7) 0.4550(5) 0.9526(3) 0.129(5) Uani 1 1 d D U . . .
C206 C -0.0720(7) 0.4791(5) 0.9264(3) 0.128(5) Uani 1 1 d D U . . .
C207 C -0.0949(8) 0.5280(6) 0.9262(3) 0.138(6) Uani 1 1 d D U . . .
C208 C -0.1056(8) 0.5509(7) 0.9526(3) 0.151(7) Uani 1 1 d D U . . .
H208 H -0.124177 0.582284 0.952953 0.181 Uiso 1 1 calc R U . . .
C209 C -0.0895(8) 0.5283(6) 0.9771(4) 0.152(7) Uani 1 1 d D U . . .
H209 H -0.094124 0.545795 0.994309 0.182 Uiso 1 1 calc R U . . .
C210 C -0.1096(9) 0.5486(7) 0.8996(3) 0.160(7) Uani 1 1 d D U . . .
H210 H -0.128323 0.579925 0.898336 0.191 Uiso 1 1 calc R U . . .
C211 C -0.0971(9) 0.5237(6) 0.8751(3) 0.153(7) Uani 1 1 d D U . . .
H211 H -0.103369 0.539027 0.857081 0.183 Uiso 1 1 calc R U . . .
C212 C -0.0750(8) 0.4755(6) 0.8778(3) 0.135(6) Uani 1 1 d D U . . .
C213 C -0.0621(8) 0.4440(6) 0.8536(3) 0.135(6) Uani 1 1 d D U . . .
H213 H -0.063685 0.457482 0.834989 0.162 Uiso 1 1 calc R U . . .
C214 C -0.0271(7) 0.3689(5) 0.8361(3) 0.116(5) Uani 1 1 d D U . . .
C215 C -0.0376(6) 0.3176(5) 0.8339(3) 0.119(5) Uani 1 1 d D U . . .
H215 H -0.061592 0.302222 0.846430 0.143 Uiso 1 1 calc R U . . .
C216 C -0.0136(6) 0.2886(6) 0.8135(3) 0.120(5) Uani 1 1 d D U . . .
H216 H -0.019943 0.253214 0.812861 0.144 Uiso 1 1 calc R U . . .
C217 C 0.0195(7) 0.3108(5) 0.7942(3) 0.121(5) Uani 1 1 d D U . . .
C218 C 0.0301(6) 0.3618(5) 0.7965(3) 0.120(5) Uani 1 1 d D U . . .
H218 H 0.054204 0.377148 0.784018 0.144 Uiso 1 1 calc R U . . .
C219 C 0.0063(6) 0.3909(5) 0.8165(3) 0.113(5) Uani 1 1 d D U . . .
H219 H 0.012734 0.426207 0.817083 0.136 Uiso 1 1 calc R U . . .
C221 C 0.5694(7) 0.3527(6) 0.9685(4) 0.150(7) Uani 1 1 d D U . . .
H221 H 0.567423 0.318930 0.961765 0.180 Uiso 1 1 calc R U . . .
C222 C 0.6193(7) 0.3693(7) 0.9808(5) 0.174(8) Uani 1 1 d D U . . .
H222 H 0.646956 0.346066 0.986828 0.209 Uiso 1 1 calc R U . . .
C223 C 0.6269(9) 0.4196(7) 0.9836(7) 0.229(10) Uani 1 1 d D U . . .
H223 H 0.660935 0.431773 0.991266 0.275 Uiso 1 1 calc R U . . .
C224 C 0.5850(8) 0.4548(6) 0.9755(6) 0.216(9) Uani 1 1 d D U . . .
C225 C 0.5352(7) 0.4315(6) 0.9662(6) 0.202(8) Uani 1 1 d D U . . .
C226 C 0.4898(7) 0.4649(5) 0.9591(6) 0.193(7) Uani 1 1 d D U . . .
C227 C 0.4961(7) 0.5183(6) 0.9619(5) 0.174(7) Uani 1 1 d D U . . .
C228 C 0.5462(8) 0.5392(7) 0.9736(5) 0.179(8) Uani 1 1 d D U . . .
H228 H 0.548228 0.573695 0.979005 0.214 Uiso 1 1 calc R U . . .
C229 C 0.5906(8) 0.5090(7) 0.9770(6) 0.203(9) Uani 1 1 d D U . . .
H229 H 0.625706 0.523563 0.980310 0.244 Uiso 1 1 calc R U . . .
C230 C 0.4469(8) 0.5456(7) 0.9579(6) 0.201(8) Uani 1 1 d D U . . .
H230 H 0.444545 0.579625 0.964068 0.241 Uiso 1 1 calc R U . . .
C231 C 0.4021(9) 0.5219(7) 0.9448(6) 0.233(10) Uani 1 1 d D U . . .
H231 H 0.371006 0.541291 0.938982 0.279 Uiso 1 1 calc R U . . .
C232 C 0.4018(8) 0.4700(7) 0.9400(7) 0.227(9) Uani 1 1 d D U . . .
C233 C 0.3553(8) 0.4392(8) 0.9295(6) 0.244(10) Uani 1 1 d D U . . .
H233 H 0.322176 0.455351 0.923404 0.292 Uiso 1 1 calc R U . . .
C234 C 0.3187(9) 0.3614(7) 0.9124(5) 0.206(9) Uani 1 1 d D U . . .
C235 C 0.3151(7) 0.3098(7) 0.9167(4) 0.167(7) Uani 1 1 d D U . . .
H235 H 0.335961 0.294793 0.931919 0.201 Uiso 1 1 calc R U . . .
C236 C 0.2814(7) 0.2795(7) 0.8991(4) 0.163(7) Uani 1 1 d D U . . .
H236 H 0.278976 0.244303 0.902656 0.196 Uiso 1 1 calc R U . . .
C237 C 0.2516(7) 0.3007(6) 0.8767(4) 0.153(7) Uani 1 1 d D U . . .
C238 C 0.2569(9) 0.3516(7) 0.8714(5) 0.196(9) Uani 1 1 d D U . . .
H238 H 0.238091 0.366015 0.855339 0.235 Uiso 1 1 calc R U . . .
C239 C 0.2893(10) 0.3823(7) 0.8892(5) 0.226(10) Uani 1 1 d D U . . .
H239 H 0.291477 0.417448 0.885582 0.271 Uiso 1 1 calc R U . . .
C241 C 0.7428(8) 0.4317(7) 0.7249(4) 0.166(7) Uani 1 1 d D U . . .
H241 H 0.736375 0.397702 0.719333 0.200 Uiso 1 1 calc R U . . .
C242 C 0.7827(9) 0.4587(8) 0.7120(4) 0.185(8) Uani 1 1 d D U . . .
H242 H 0.804056 0.442644 0.698476 0.222 Uiso 1 1 calc R U . . .
C243 C 0.7918(10) 0.5081(7) 0.7185(5) 0.198(9) Uani 1 1 d D U . . .
H243 H 0.819414 0.526348 0.709534 0.237 Uiso 1 1 calc R U . . .
C244 C 0.7602(9) 0.5319(7) 0.7385(5) 0.193(8) Uani 1 1 d D U . . .
C245 C 0.7194(8) 0.5020(6) 0.7497(4) 0.166(7) Uani 1 1 d D U . . .
C246 C 0.6875(8) 0.5224(6) 0.7719(5) 0.181(7) Uani 1 1 d D U . . .
C247 C 0.7003(11) 0.5698(8) 0.7843(6) 0.233(9) Uani 1 1 d D U . . .
C248 C 0.7423(11) 0.5984(8) 0.7718(6) 0.243(11) Uani 1 1 d D U . . .
H248 H 0.750372 0.631350 0.778734 0.292 Uiso 1 1 calc R U . . .
C249 C 0.7708(11) 0.5800(8) 0.7504(6) 0.228(10) Uani 1 1 d D U . . .
H249 H 0.798847 0.600093 0.743116 0.274 Uiso 1 1 calc R U . . .
C250 C 0.6643(11) 0.5848(8) 0.8053(6) 0.247(10) Uani 1 1 d D U . . .
H250 H 0.671198 0.615124 0.815489 0.297 Uiso 1 1 calc R U . . .
C251 C 0.6193(10) 0.5560(7) 0.8110(6) 0.233(10) Uani 1 1 d D U . . .
H251 H 0.591563 0.569287 0.822051 0.279 Uiso 1 1 calc R U . . .
C252 C 0.6154(8) 0.5073(6) 0.8003(5) 0.172(7) Uani 1 1 d D U . . .
C253 C 0.5763(7) 0.4679(6) 0.8073(5) 0.157(7) Uani 1 1 d D U . . .
H253 H 0.546285 0.475657 0.818396 0.188 Uiso 1 1 calc R U . . .
C254 C 0.5428(6) 0.3869(5) 0.8004(4) 0.137(6) Uani 1 1 d D U . . .
C255 C 0.5562(6) 0.3388(6) 0.8101(4) 0.136(6) Uani 1 1 d D U . . .
H255 H 0.593048 0.331168 0.815661 0.163 Uiso 1 1 calc R U . . .
C256 C 0.5168(5) 0.3019(6) 0.8118(4) 0.134(6) Uani 1 1 d D U . . .
H256 H 0.526280 0.269664 0.819312 0.161 Uiso 1 1 calc R U . . .
C257 C 0.4631(5) 0.3122(5) 0.8025(5) 0.146(6) Uani 1 1 d D U . . .
C258 C 0.4503(6) 0.3589(6) 0.7904(5) 0.167(8) Uani 1 1 d D U . . .
H258 H 0.414708 0.364792 0.782133 0.200 Uiso 1 1 calc R U . . .
C259 C 0.4891(6) 0.3967(6) 0.7903(5) 0.158(7) Uani 1 1 d D U . . .
H259 H 0.479322 0.429330 0.783491 0.189 Uiso 1 1 calc R U . . .
C261 C 0.2863(8) 0.4087(7) 0.4858(4) 0.213(10) Uani 1 1 d D U . . .
H261 H 0.279926 0.373467 0.487459 0.255 Uiso 1 1 calc R U . . .
C262 C 0.2687(11) 0.4336(8) 0.4610(4) 0.254(11) Uani 1 1 d D U . . .
H262 H 0.250716 0.415229 0.446040 0.305 Uiso 1 1 calc R U . . .
C263 C 0.2771(13) 0.4838(8) 0.4581(4) 0.250(11) Uani 1 1 d D U . . .
H263 H 0.264185 0.500509 0.441225 0.300 Uiso 1 1 calc R U . . .
C264 C 0.3047(11) 0.5112(6) 0.4798(4) 0.200(8) Uani 1 1 d D U . . .
C265 C 0.3183(8) 0.4835(5) 0.5045(3) 0.154(6) Uani 1 1 d D U . . .
C266 C 0.3430(7) 0.5093(5) 0.5286(3) 0.138(6) Uani 1 1 d D U . . .
C267 C 0.3513(8) 0.5622(5) 0.5286(4) 0.157(6) Uani 1 1 d D U . . .
C268 C 0.3334(10) 0.5879(7) 0.5034(4) 0.184(8) Uani 1 1 d D U . . .
H268 H 0.337743 0.623497 0.502601 0.221 Uiso 1 1 calc R U . . .
C269 C 0.3105(11) 0.5640(7) 0.4805(4) 0.192(8) Uani 1 1 d D U . . .
H269 H 0.298000 0.583278 0.464534 0.230 Uiso 1 1 calc R U . . .
C270 C 0.3764(10) 0.5823(7) 0.5533(4) 0.188(8) Uani 1 1 d D U . . .
H270 H 0.383173 0.617575 0.554208 0.226 Uiso 1 1 calc R U . . .
C271 C 0.3915(9) 0.5534(6) 0.5760(4) 0.169(7) Uani 1 1 d D U . . .
H271 H 0.407844 0.567957 0.592731 0.203 Uiso 1 1 calc R U . . .
C272 C 0.3822(7) 0.5024(6) 0.5740(3) 0.138(6) Uani 1 1 d D U . . .
C273 C 0.3909(8) 0.4664(6) 0.5971(3) 0.145(6) Uani 1 1 d D U . . .
H273 H 0.403555 0.478108 0.615220 0.174 Uiso 1 1 calc R U . . .
C274 C 0.3811(8) 0.3845(6) 0.6158(3) 0.149(6) Uani 1 1 d D U . . .
C275 C 0.3958(8) 0.3342(6) 0.6117(3) 0.149(6) Uani 1 1 d D U . . .
H275 H 0.405550 0.323128 0.593500 0.179 Uiso 1 1 calc R U . . .
C276 C 0.3962(8) 0.3008(7) 0.6337(3) 0.161(7) Uani 1 1 d D U . . .
H276 H 0.410507 0.267823 0.631564 0.193 Uiso 1 1 calc R U . . .
C277 C 0.3756(9) 0.3151(6) 0.6593(3) 0.172(7) Uani 1 1 d D U . . .
C278 C 0.3570(8) 0.3642(6) 0.6630(4) 0.168(7) Uani 1 1 d D U . . .
H278 H 0.341255 0.373376 0.680192 0.201 Uiso 1 1 calc R U . . .
C279 C 0.3615(8) 0.3996(6) 0.6418(3) 0.153(7) Uani 1 1 d D U . . .
H279 H 0.351390 0.433675 0.644742 0.183 Uiso 1 1 calc R U . . .
C281 C -0.2430(7) 0.3972(7) 0.6456(5) 0.196(8) Uani 1 1 d D U . . .
H281 H -0.239671 0.362714 0.650912 0.236 Uiso 1 1 calc R U . . .
C282 C -0.2933(7) 0.4210(9) 0.6475(6) 0.219(9) Uani 1 1 d D U . . .
H282 H -0.322343 0.403820 0.655872 0.262 Uiso 1 1 calc R U . . .
C283 C -0.3010(7) 0.4686(9) 0.6374(6) 0.221(9) Uani 1 1 d D U . . .
H283 H -0.336403 0.483104 0.636329 0.265 Uiso 1 1 calc R U . . .
C284 C -0.2557(7) 0.4963(7) 0.6287(6) 0.213(8) Uani 1 1 d D U . . .
C285 C -0.2054(6) 0.4699(6) 0.6294(5) 0.182(7) Uani 1 1 d D U . . .
C286 C -0.1593(6) 0.4953(6) 0.6187(5) 0.175(7) Uani 1 1 d D U . . .
C287 C -0.1622(7) 0.5465(6) 0.6100(5) 0.184(7) Uani 1 1 d D U . . .
C288 C -0.2138(8) 0.5717(8) 0.6098(6) 0.207(8) Uani 1 1 d D U . . .
H288 H -0.217039 0.605763 0.603728 0.248 Uiso 1 1 calc R U . . .
C289 C -0.2579(8) 0.5465(8) 0.6184(6) 0.219(9) Uani 1 1 d D U . . .
H289 H -0.292087 0.563268 0.617458 0.263 Uiso 1 1 calc R U . . .
C290 C -0.1123(8) 0.5688(7) 0.6028(5) 0.203(8) Uani 1 1 d D U . . .
H290 H -0.111544 0.603535 0.597898 0.243 Uiso 1 1 calc R U . . .
C291 C -0.0656(7) 0.5415(7) 0.6029(5) 0.184(8) Uani 1 1 d D U . . .
H291 H -0.033005 0.555829 0.596544 0.221 Uiso 1 1 calc R U . . .
C292 C -0.0668(6) 0.4920(6) 0.6125(5) 0.165(7) Uani 1 1 d D U . . .
C293 C -0.0193(7) 0.4588(7) 0.6163(5) 0.154(7) Uani 1 1 d D U . . .
H293 H 0.016305 0.471110 0.613473 0.185 Uiso 1 1 calc R U . . .
C294 C 0.0167(7) 0.3808(6) 0.6336(4) 0.145(6) Uani 1 1 d D U . . .
C295 C 0.0155(7) 0.3300(6) 0.6262(4) 0.155(7) Uani 1 1 d D U . . .
H295 H -0.013812 0.317682 0.614241 0.186 Uiso 1 1 calc R U . . .
C296 C 0.0556(7) 0.2971(6) 0.6359(4) 0.157(7) Uani 1 1 d D U . . .
H296 H 0.054762 0.262632 0.630336 0.188 Uiso 1 1 calc R U . . .
C297 C 0.0970(6) 0.3152(6) 0.6538(4) 0.155(7) Uani 1 1 d D U . . .
C298 C 0.0998(7) 0.3662(6) 0.6611(4) 0.143(6) Uani 1 1 d D U . . .
H298 H 0.128876 0.378111 0.673379 0.172 Uiso 1 1 calc R U . . .
C299 C 0.0606(6) 0.3994(6) 0.6505(4) 0.144(6) Uani 1 1 d D U . . .
H299 H 0.063331 0.434446 0.654589 0.172 Uiso 1 1 calc R U . . .
C301 C 0.1911(9) 0.2985(10) 0.6907(4) 0.171(7) Uani 1 1 d D U . . .
C302 C 0.1663(8) 0.3116(8) 0.7179(4) 0.145(6) Uani 1 1 d D U . . .
C303 C 0.1136(8) 0.3002(8) 0.7275(4) 0.156(7) Uani 1 1 d D U . . .
H303 H 0.083923 0.294064 0.714214 0.187 Uiso 1 1 calc R U . . .
C304 C 0.1057(7) 0.2980(8) 0.7572(4) 0.140(6) Uani 1 1 d D U . . .
C305 C 0.1485(7) 0.3109(7) 0.7786(4) 0.130(5) Uani 1 1 d D U . . .
C306 C 0.1536(7) 0.2929(7) 0.8077(4) 0.134(6) Uani 1 1 d D U . . .
H306 H 0.122098 0.282125 0.816853 0.161 Uiso 1 1 calc R U . . .
C307 C 0.2040(7) 0.2914(8) 0.8221(4) 0.135(5) Uani 1 1 d D U . . .
C308 C 0.2542(7) 0.3074(8) 0.8072(4) 0.132(6) Uani 1 1 d D U . . .
C309 C 0.3092(7) 0.2910(8) 0.8147(4) 0.141(6) Uani 1 1 d D U . . .
H309 H 0.317862 0.279232 0.833349 0.169 Uiso 1 1 calc R U . . .
C310 C 0.3500(7) 0.2918(9) 0.7952(4) 0.148(6) Uani 1 1 d D U . . .
C311 C 0.3377(8) 0.3048(9) 0.7658(4) 0.162(7) Uani 1 1 d D U . . .
C312 C 0.3653(8) 0.2946(9) 0.7406(4) 0.172(7) Uani 1 1 d D U . . .
H312 H 0.402463 0.284502 0.742682 0.207 Uiso 1 1 calc R U . . .
C313 C 0.3425(8) 0.2982(10) 0.7142(5) 0.175(7) Uani 1 1 d D U . . .
C314 C 0.2829(8) 0.3113(10) 0.7101(4) 0.169(7) Uani 1 1 d D U . . .
C315 C 0.2474(8) 0.3009(9) 0.6873(4) 0.174(7) Uani 1 1 d D U . . .
H315 H 0.261161 0.295421 0.669128 0.209 Uiso 1 1 calc R U . . .
C316 C 0.2036(7) 0.3303(8) 0.7375(4) 0.145(6) Uani 1 1 d D U . . .
C317 C 0.1954(7) 0.3296(8) 0.7681(4) 0.135(5) Uani 1 1 d D U . . .
C318 C 0.2469(7) 0.3283(8) 0.7818(4) 0.143(6) Uani 1 1 d D U . . .
C319 C 0.2862(7) 0.3298(8) 0.7613(4) 0.148(6) Uani 1 1 d D U . . .
C320 C 0.2609(7) 0.3308(8) 0.7335(4) 0.146(6) Uani 1 1 d D U . . .
B1 B 0.2455(10) 0.7016(9) 0.7501(5) 0.173(6) Uani 1 1 d D U . . .
H1A H 0.242249 0.743691 0.749260 0.207 Uiso 1 1 calc R U . . .
B2 B 0.2514(10) 0.5787(9) 0.7523(5) 0.170(6) Uani 1 1 d D U . . .
H2A H 0.252446 0.536446 0.752903 0.204 Uiso 1 1 calc R U . . .
B3 B 0.2040(10) 0.6655(9) 0.7705(5) 0.176(6) Uani 1 1 d D U . . .
H3A H 0.173304 0.683389 0.784091 0.211 Uiso 1 1 calc R U . . .
B4 B 0.2737(10) 0.6679(9) 0.7800(5) 0.180(6) Uani 1 1 d D U . . .
H4 H 0.289468 0.688544 0.799364 0.216 Uiso 1 1 calc R U . . .
B5 B 0.3118(10) 0.6673(9) 0.7498(5) 0.180(6) Uani 1 1 d D U . . .
H5 H 0.352508 0.685988 0.748750 0.216 Uiso 1 1 calc R U . . .
B6 B 0.2632(10) 0.6642(9) 0.7201(5) 0.173(6) Uani 1 1 d D U . . .
H6 H 0.272998 0.681224 0.699351 0.207 Uiso 1 1 calc R U . . .
B7 B 0.1949(10) 0.6662(9) 0.7330(5) 0.171(6) Uani 1 1 d D U . . .
H7 H 0.159547 0.684014 0.720884 0.206 Uiso 1 1 calc R U . . .
B8 B 0.1890(10) 0.6106(9) 0.7530(5) 0.171(6) Uani 1 1 d D U . . .
H8A H 0.148283 0.591751 0.753767 0.205 Uiso 1 1 calc R U . . .
B9 B 0.2388(10) 0.6109(9) 0.7826(5) 0.180(6) Uani 1 1 d D U . . .
H9A H 0.231693 0.591506 0.803148 0.216 Uiso 1 1 calc R U . . .
B10 B 0.3031(10) 0.6155(10) 0.7694(5) 0.182(6) Uani 1 1 d D U . . .
H10A H 0.339624 0.600068 0.781696 0.218 Uiso 1 1 calc R U . . .
B11 B 0.2929(10) 0.6099(9) 0.7321(5) 0.176(6) Uani 1 1 d D U . . .
H11A H 0.321597 0.588842 0.718774 0.211 Uiso 1 1 calc R U . . .
B12 B 0.2290(10) 0.6102(9) 0.7240(5) 0.168(6) Uani 1 1 d D U . . .
H12 H 0.214119 0.589253 0.704531 0.201 Uiso 1 1 calc R U . . .
B13 B 0.1340(9) 0.3473(9) 0.9670(5) 0.170(6) Uani 1 1 d D U . . .
H13A H 0.116899 0.381587 0.955873 0.204 Uiso 1 1 calc R U . . .
B14 B 0.1831(9) 0.2489(10) 1.0011(5) 0.172(6) Uani 1 1 d D U . . .
H14 H 0.199694 0.215542 1.013253 0.206 Uiso 1 1 calc R U . . .
B15 B 0.1788(9) 0.3519(9) 0.9964(5) 0.176(6) Uani 1 1 d D U . . .
H15A H 0.193102 0.389463 1.004726 0.211 Uiso 1 1 calc R U . . .
B16 B 0.2028(9) 0.3272(10) 0.9651(5) 0.171(6) Uani 1 1 d D U . . .
H16A H 0.231963 0.348890 0.952336 0.206 Uiso 1 1 calc R U . . .
B17 B 0.1535(9) 0.2889(9) 0.9480(5) 0.173(6) Uani 1 1 d D U . . .
H17 H 0.149454 0.283798 0.924524 0.207 Uiso 1 1 calc R U . . .
B18 B 0.0959(9) 0.2896(9) 0.9699(5) 0.155(6) Uani 1 1 d D U . . .
H18A H 0.053651 0.284585 0.960134 0.186 Uiso 1 1 calc R U . . .
B19 B 0.1105(9) 0.3319(9) 0.9995(5) 0.165(6) Uani 1 1 d D U . . .
H19A H 0.078215 0.354537 1.009587 0.198 Uiso 1 1 calc R U . . .
B20 B 0.1657(9) 0.3042(9) 1.0190(5) 0.168(6) Uani 1 1 d D U . . .
H20 H 0.169231 0.309152 1.042582 0.201 Uiso 1 1 calc R U . . .
B21 B 0.2243(9) 0.3004(9) 0.9975(5) 0.177(6) Uani 1 1 d D U . . .
H21A H 0.267272 0.301956 1.006694 0.212 Uiso 1 1 calc R U . . .
B22 B 0.2063(9) 0.2650(10) 0.9676(5) 0.172(6) Uani 1 1 d D U . . .
H22A H 0.237883 0.243763 0.956205 0.206 Uiso 1 1 calc R U . . .
B23 B 0.1405(8) 0.2407(9) 0.9733(5) 0.159(6) Uani 1 1 d D U . . .
H23A H 0.127384 0.201671 0.966815 0.190 Uiso 1 1 calc R U . . .
B24 B 0.1187(9) 0.2657(9) 1.0012(5) 0.158(6) Uani 1 1 d D U . . .
H24 H 0.089728 0.243220 1.013654 0.190 Uiso 1 1 calc R U . . .
S1A S 0.5457(6) 0.4313(5) 0.5972(3) 0.182(4) Uani 0.5 1 d D U P A 1
S2A S 0.5510(6) 0.5355(5) 0.5791(3) 0.178(4) Uani 0.5 1 d D U P A 1
F1A F 0.4919(9) 0.4360(11) 0.6423(5) 0.191(6) Uani 0.5 1 d D U P A 1
F2A F 0.5638(11) 0.3912(10) 0.6474(5) 0.203(7) Uani 0.5 1 d D U P A 1
F3A F 0.5677(10) 0.4759(10) 0.6463(5) 0.195(6) Uani 0.5 1 d D U P A 1
F4A F 0.5684(10) 0.4919(9) 0.5310(5) 0.175(6) Uani 0.5 1 d D U P A 1
F5A F 0.5786(11) 0.5734(9) 0.5328(5) 0.196(7) Uani 0.5 1 d D U P A 1
F6A F 0.4964(10) 0.5346(11) 0.5314(6) 0.193(7) Uani 0.5 1 d D U P A 1
O1A O 0.6029(8) 0.4284(11) 0.5924(6) 0.186(8) Uani 0.5 1 d D U P A 1
O2A O 0.5103(10) 0.3900(8) 0.5892(6) 0.180(8) Uani 0.5 1 d D U P A 1
O3A O 0.6069(8) 0.5373(12) 0.5880(6) 0.195(8) Uani 0.5 1 d D U P A 1
O4A O 0.5188(11) 0.5785(9) 0.5866(6) 0.190(8) Uani 0.5 1 d D U P A 1
N1A N 0.5181(9) 0.4838(6) 0.5858(6) 0.172(5) Uani 0.5 1 d D U P A 1
C1A C 0.5440(11) 0.4336(10) 0.6360(3) 0.187(5) Uani 0.5 1 d D U P A 1
C2A C 0.5490(11) 0.5347(10) 0.5402(3) 0.182(5) Uani 0.5 1 d D U P A 1
S1G S 0.5257(10) 0.5373(11) 0.5627(5) 0.179(5) Uani 0.25 1 d D U P B 2
S2G S 0.5304(11) 0.5010(8) 0.6218(5) 0.183(5) Uani 0.25 1 d D U P B 2
F4G F 0.5028(16) 0.4071(14) 0.6238(10) 0.179(8) Uiso 0.25 1 d D U P B 2
O3G O 0.5787(15) 0.5297(16) 0.6269(11) 0.193(12) Uiso 0.25 1 d D U P B 2
O4G O 0.4842(15) 0.5085(18) 0.6386(9) 0.182(12) Uiso 0.25 1 d D U P B 2
F3G F 0.5970(18) 0.4755(14) 0.5445(10) 0.178(11) Uiso 0.25 1 d D U P B 2
F2G F 0.6303(16) 0.5268(19) 0.5751(9) 0.184(11) Uiso 0.25 1 d D U P B 2
C1G C 0.5952(11) 0.5227(14) 0.5531(8) 0.184(6) Uiso 0.25 1 d D U P B 2
O1G O 0.526(2) 0.5885(12) 0.5716(11) 0.183(11) Uiso 0.25 1 d D U P B 2
F5G F 0.5843(18) 0.4155(16) 0.6132(10) 0.187(9) Uiso 0.25 1 d D U P B 2
O2G O 0.4912(18) 0.522(2) 0.5389(8) 0.178(11) Uiso 0.25 1 d D U P B 2
C2G C 0.5473(15) 0.4348(9) 0.6296(8) 0.186(6) Uiso 0.25 1 d D U P B 2
N1G N 0.5105(17) 0.4987(15) 0.5882(5) 0.176(6) Uiso 0.25 1 d D U P B 2
F1G F 0.6129(17) 0.5545(17) 0.5342(9) 0.188(10) Uiso 0.25 1 d D U P B 2
F6G F 0.5630(19) 0.4285(18) 0.6563(7) 0.180(9) Uiso 0.25 1 d D U P B 2
S1B S 0.4544(5) 0.6981(6) 0.9415(3) 0.215(5) Uani 0.6 1 d D U P . .
S2B S 0.5094(6) 0.6743(6) 0.8946(3) 0.220(5) Uani 0.6 1 d D U P . .
F2B F 0.3582(11) 0.7257(10) 0.9483(6) 0.258(11) Uani 0.6 1 d D U P . .
F4B F 0.5728(14) 0.6198(11) 0.8666(5) 0.286(13) Uani 0.6 1 d D U P . .
F5B F 0.5750(12) 0.6114(11) 0.9132(5) 0.261(11) Uani 0.6 1 d D U P . .
F1B F 0.3733(10) 0.7132(11) 0.9044(5) 0.248(11) Uani 0.6 1 d D U P . .
F6B F 0.5116(12) 0.5809(10) 0.8873(8) 0.318(15) Uani 0.6 1 d D U P . .
F3B F 0.3666(11) 0.6483(9) 0.9328(5) 0.240(10) Uani 0.6 1 d D U P . .
O2B O 0.4566(12) 0.6830(12) 0.9704(4) 0.239(13) Uani 0.6 1 d D U P . .
O4B O 0.4656(11) 0.6654(14) 0.8742(6) 0.274(15) Uani 0.6 1 d D U P . .
O1B O 0.4683(14) 0.7485(9) 0.9325(6) 0.281(15) Uani 0.6 1 d D U P . .
O3B O 0.5510(10) 0.7106(9) 0.8956(5) 0.193(10) Uani 0.6 1 d D U P . .
N1B N 0.4877(12) 0.6566(9) 0.9250(5) 0.233(10) Uani 0.6 1 d D U P . .
C1B C 0.3820(7) 0.6959(10) 0.9303(5) 0.212(10) Uani 0.6 1 d D U P . .
C2B C 0.5481(11) 0.6161(8) 0.8890(6) 0.230(11) Uani 0.6 1 d D U P . .
S1C S 0.6252(3) 0.4696(3) 0.8917(3) 0.204(3) Uani 1 1 d D U . . .
F1C F 0.5830(6) 0.3819(6) 0.8825(4) 0.259(8) Uani 1 1 d D U . . .
F2C F 0.6595(8) 0.3907(6) 0.8651(4) 0.262(7) Uani 1 1 d D U . . .
F3C F 0.6525(8) 0.3793(6) 0.9087(4) 0.257(7) Uani 1 1 d D U . . .
O1C O 0.5932(7) 0.4751(7) 0.9155(3) 0.228(8) Uani 1 1 d D U . . .
O2C O 0.5979(8) 0.4890(7) 0.8659(4) 0.254(9) Uani 1 1 d D U . . .
N1C N 0.6850(5) 0.4861(7) 0.8876(4) 0.235(8) Uani 1 1 d D U . . .
C1C C 0.6291(9) 0.4017(5) 0.8860(5) 0.196(8) Uani 1 1 d D U . . .
S2C S 0.7252(5) 0.4982(5) 0.9151(3) 0.189(6) Uani 0.623(13) 1 d D U P C 1
O3C O 0.7796(8) 0.4875(13) 0.9082(7) 0.202(17) Uiso 0.623(13) 1 d D U P C 1
O4C O 0.7040(14) 0.4758(12) 0.9400(5) 0.286(18) Uiso 0.623(13) 1 d D U P C 1
F4C F 0.7395(13) 0.5911(10) 0.8999(6) 0.259(12) Uiso 0.623(13) 1 d D U P C 1
F5C F 0.6698(11) 0.5789(11) 0.9257(7) 0.268(15) Uiso 0.623(13) 1 d D U P C 1
F6C F 0.7491(13) 0.5753(11) 0.9453(6) 0.284(14) Uiso 0.623(13) 1 d D U P C 1
C2C C 0.7213(12) 0.5663(6) 0.9217(6) 0.222(12) Uiso 0.623(13) 1 d D U P C 1
S2H S 0.7376(7) 0.5197(7) 0.8907(6) 0.212(8) Uani 0.377(13) 1 d D U P C 2
F6H F 0.6926(19) 0.6034(15) 0.8948(10) 0.29(2) Uiso 0.377(13) 1 d D U P C 2
F5H F 0.7721(12) 0.5969(11) 0.9189(8) 0.179(13) Uiso 0.377(13) 1 d D U P C 2
F4H F 0.699(2) 0.5698(19) 0.9354(9) 0.30(2) Uiso 0.377(13) 1 d D U P C 2
O3H O 0.7772(15) 0.4915(18) 0.9075(10) 0.20(3) Uiso 0.377(13) 1 d D U P C 2
O4H O 0.749(2) 0.5402(18) 0.8637(7) 0.34(3) Uiso 0.377(13) 1 d D U P C 2
C2H C 0.7248(13) 0.5760(10) 0.9119(7) 0.233(17) Uiso 0.377(13) 1 d D U P C 2
S1D S 0.0847(9) 0.6130(8) 0.9182(4) 0.346(10) Uani 0.6 1 d D U P . .
S2D S 0.1641(8) 0.5852(8) 0.9598(4) 0.318(8) Uani 0.6 1 d D U P . .
F2D F 0.0109(18) 0.6705(17) 0.8926(9) 0.46(2) Uani 0.6 1 d D U P . .
F5D F 0.2439(13) 0.6341(11) 0.9408(8) 0.326(15) Uani 0.6 1 d D U P . .
F6D F 0.2632(14) 0.5578(15) 0.9542(10) 0.396(18) Uani 0.6 1 d D U P . .
F4D F 0.2174(17) 0.5748(16) 0.9147(7) 0.382(18) Uani 0.6 1 d D U P . .
F3D F 0.0201(18) 0.6847(16) 0.9373(8) 0.41(2) Uani 0.6 1 d D U P . .
F1D F 0.0857(17) 0.7075(13) 0.9128(7) 0.399(18) Uani 0.6 1 d D U P . .
O4D O 0.1792(16) 0.6002(13) 0.9883(5) 0.323(17) Uani 0.6 1 d D U P . .
O1D O 0.0439(13) 0.5761(11) 0.9244(6) 0.257(14) Uani 0.6 1 d D U P . .
O2D O 0.1201(14) 0.6100(13) 0.8952(7) 0.294(16) Uani 0.6 1 d D U P . .
O3D O 0.1482(16) 0.5337(10) 0.9534(7) 0.312(16) Uani 0.6 1 d D U P . .
N1D N 0.1222(12) 0.6272(11) 0.9468(6) 0.302(12) Uani 0.6 1 d D U P . .
C1D C 0.0470(13) 0.6727(10) 0.9141(7) 0.348(15) Uani 0.6 1 d D U P . .
C2D C 0.2277(10) 0.5880(13) 0.9415(7) 0.324(15) Uani 0.6 1 d D U P . .
S1E S -0.1259(7) 0.7385(7) 0.5929(3) 0.181(4) Uani 0.4 1 d D U P D 1
S2E S -0.1480(9) 0.7338(7) 0.5259(4) 0.222(5) Uani 0.4 1 d D U P D 1
F2E F -0.1395(11) 0.7345(10) 0.6461(5) 0.154(6) Uani 0.4 1 d D U P D 1
F6E F -0.1755(17) 0.6613(13) 0.4941(6) 0.237(9) Uani 0.4 1 d D U P D 1
F1E F -0.1982(11) 0.7864(10) 0.6200(7) 0.184(8) Uani 0.4 1 d D U P D 1
F4E F -0.2100(14) 0.6705(14) 0.5373(7) 0.233(8) Uani 0.4 1 d D U P D 1
F3E F -0.2150(11) 0.7129(10) 0.6228(7) 0.190(7) Uani 0.4 1 d D U P D 1
F5E F -0.1276(15) 0.6388(12) 0.5313(9) 0.247(9) Uani 0.4 1 d D U P D 1
O2E O -0.1096(13) 0.6867(9) 0.5969(7) 0.186(8) Uani 0.4 1 d D U P D 1
O1E O -0.0874(12) 0.7784(11) 0.5979(7) 0.185(9) Uani 0.4 1 d D U P D 1
O3E O -0.1888(13) 0.7608(12) 0.5094(7) 0.190(9) Uani 0.4 1 d D U P D 1
O4E O -0.0934(11) 0.7314(14) 0.5166(8) 0.208(9) Uani 0.4 1 d D U P D 1
N1E N -0.1478(15) 0.7474(13) 0.5597(4) 0.195(6) Uani 0.4 1 d D U P D 1
C1E C -0.1711(10) 0.7439(12) 0.6224(5) 0.186(6) Uani 0.4 1 d D U P D 1
C2E C -0.1682(14) 0.6674(8) 0.5216(7) 0.218(6) Uani 0.4 1 d D U P D 1
S2F S -0.1775(11) 0.6985(12) 0.5432(5) 0.198(6) Uani 0.25 1 d D U P E 2
S1F S -0.1794(11) 0.7182(11) 0.6047(5) 0.194(5) Uani 0.25 1 d D U P E 2
F1F F -0.1401(19) 0.7338(19) 0.6611(7) 0.181(11) Uiso 0.25 1 d D U P E 2
O1F O -0.205(2) 0.7673(15) 0.6071(10) 0.186(10) Uiso 0.25 1 d D U P E 2
C1F C -0.1310(14) 0.7161(15) 0.6354(6) 0.188(7) Uiso 0.25 1 d D U P E 2
F3F F -0.1160(18) 0.6704(14) 0.6449(9) 0.186(12) Uiso 0.25 1 d D U P E 2
F4F F -0.108(2) 0.7099(18) 0.5040(10) 0.212(12) Uiso 0.25 1 d D U P E 2
O3F O -0.210(2) 0.7332(19) 0.5266(10) 0.208(10) Uiso 0.25 1 d D U P E 2
F5F F -0.0874(19) 0.652(2) 0.5351(10) 0.232(15) Uiso 0.25 1 d D U P E 2
F2F F -0.0865(15) 0.7429(16) 0.6304(8) 0.171(9) Uiso 0.25 1 d D U P E 2
O2F O -0.212(2) 0.6740(16) 0.6023(11) 0.214(13) Uiso 0.25 1 d D U P E 2
N1F N -0.1516(16) 0.7213(19) 0.5736(5) 0.195(6) Uiso 0.25 1 d D U P E 2
O4F O -0.203(2) 0.6545(16) 0.5546(11) 0.220(12) Uiso 0.25 1 d D U P E 2
F6F F -0.144(2) 0.6391(19) 0.5011(10) 0.229(11) Uiso 0.25 1 d D U P E 2
C2F C -0.1271(15) 0.6740(15) 0.5196(7) 0.217(7) Uiso 0.25 1 d D U P E 2
C2S C 0.2106(17) 0.6696(13) 0.8570(8) 0.34(2) Uani 1 1 d D U . . .
H2S1 H 0.193460 0.642353 0.867400 0.506 Uiso 1 1 calc R U . . .
H2S2 H 0.241920 0.656131 0.847441 0.506 Uiso 1 1 calc R U . . .
H2S3 H 0.184101 0.683662 0.842949 0.506 Uiso 1 1 calc R U . . .
N1S N 0.2359(10) 0.7475(10) 0.8885(6) 0.214(10) Uani 1 1 d D U . . .
C1S C 0.2292(18) 0.7094(13) 0.8770(8) 0.283(18) Uani 1 1 d D U . . .
C5S C 0.0805(17) 0.1812(15) 0.8345(8) 0.149(14) Uiso 0.5 1 d D U P . .
C6S C 0.084(2) 0.1479(18) 0.8106(10) 0.22(2) Uiso 0.5 1 d D U P . .
H6S1 H 0.097990 0.166709 0.794646 0.331 Uiso 0.5 1 calc R U P . .
H6S2 H 0.047897 0.134447 0.805232 0.331 Uiso 0.5 1 calc R U P . .
H6S3 H 0.109008 0.120075 0.815666 0.331 Uiso 0.5 1 calc R U P . .
N3S N 0.0791(13) 0.2118(13) 0.8515(7) 0.141(11) Uiso 0.5 1 d D U P . .
C3S C 0.3385(17) 0.5811(14) 0.8703(9) 0.151(14) Uiso 0.5 1 d D U P . .
N2S N 0.347(2) 0.6162(15) 0.8550(10) 0.234(19) Uiso 0.5 1 d D U P . .
C4S C 0.3288(13) 0.5360(13) 0.8844(7) 0.106(10) Uiso 0.5 1 d D U P . .
N4S N 0.0191(12) 0.5261(12) 0.8316(6) 0.129(10) Uiso 0.5 1 d D U P . .
C7S C 0.0400(14) 0.5643(13) 0.8305(7) 0.119(12) Uiso 0.5 1 d D U P . .
C8S C 0.075(2) 0.6079(16) 0.8259(11) 0.21(2) Uiso 0.5 1 d D U P . .
H8S1 H 0.065916 0.635122 0.838862 0.314 Uiso 0.5 1 calc R U P . .
H8S2 H 0.069302 0.619560 0.806314 0.314 Uiso 0.5 1 calc R U P . .
H8S3 H 0.113279 0.598222 0.829492 0.314 Uiso 0.5 1 calc R U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0032 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1203 0.1179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.3032 1.3627 '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'
F F 0.0168 0.0099 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Zn1 N111 170.9(5) . . ?
N2 Zn1 N1 76.3(4) . . ?
N111 Zn1 N1 100.4(5) . . ?
N2 Zn1 N110 97.3(5) . . ?
N111 Zn1 N110 74.2(5) . . ?
N1 Zn1 N110 91.8(6) . . ?
N2 Zn1 N112 115.3(5) . . ?
N111 Zn1 N112 73.5(5) . . ?
N1 Zn1 N112 99.7(5) . . ?
N110 Zn1 N112 147.1(5) . . ?
N2 Zn1 N3 72.9(4) . . ?
N111 Zn1 N3 111.2(5) . . ?
N1 Zn1 N3 148.2(5) . . ?
N110 Zn1 N3 99.9(6) . . ?
N112 Zn1 N3 86.4(5) . . ?
N5 Zn2 N108 167.0(6) . . ?
N5 Zn2 N107 103.1(5) . . ?
N108 Zn2 N107 76.9(5) . . ?
N5 Zn2 N109 106.6(5) . . ?
N108 Zn2 N109 74.6(5) . . ?
N107 Zn2 N109 150.3(5) . . ?
N5 Zn2 N6 76.0(4) . . ?
N108 Zn2 N6 116.9(6) . . ?
N107 Zn2 N6 100.9(6) . . ?
N109 Zn2 N6 84.6(6) . . ?
N5 Zn2 N4 75.3(4) . . ?
N108 Zn2 N4 91.6(6) . . ?
N107 Zn2 N4 90.0(6) . . ?
N109 Zn2 N4 99.2(5) . . ?
N6 Zn2 N4 151.0(4) . . ?
N8 Zn3 N7 79.4(5) . . ?
N8 Zn3 N105 165.5(7) . . ?
N7 Zn3 N105 111.7(8) . . ?
N8 Zn3 N9 74.3(5) . . ?
N7 Zn3 N9 151.1(5) . . ?
N105 Zn3 N9 96.3(8) . . ?
N8 Zn3 N104 97.1(6) . . ?
N7 Zn3 N104 94.6(7) . . ?
N105 Zn3 N104 73.4(5) . . ?
N9 Zn3 N104 100.2(6) . . ?
N8 Zn3 N106 117.4(6) . . ?
N7 Zn3 N106 98.7(8) . . ?
N105 Zn3 N106 71.3(6) . . ?
N9 Zn3 N106 83.2(7) . . ?
N104 Zn3 N106 144.7(6) . . ?
N11 Zn4 N102 164.9(5) . . ?
N11 Zn4 N12 76.6(4) . . ?
N102 Zn4 N12 117.0(5) . . ?
N11 Zn4 N101 106.7(5) . . ?
N102 Zn4 N101 77.3(5) . . ?
N12 Zn4 N101 105.1(5) . . ?
N11 Zn4 N10 74.0(4) . . ?
N102 Zn4 N10 92.2(5) . . ?
N12 Zn4 N10 150.5(4) . . ?
N101 Zn4 N10 83.8(5) . . ?
N11 Zn4 N103 105.0(5) . . ?
N102 Zn4 N103 72.3(4) . . ?
N12 Zn4 N103 81.7(5) . . ?
N101 Zn4 N103 148.4(5) . . ?
N10 Zn4 N103 105.6(5) . . ?
N14 Zn5 N114 164.8(6) . . ?
N14 Zn5 N115 116.0(6) . . ?
N114 Zn5 N115 74.5(5) . . ?
N14 Zn5 N15 75.3(5) . . ?
N114 Zn5 N15 117.9(6) . . ?
N115 Zn5 N15 85.3(6) . . ?
N14 Zn5 N113 94.7(6) . . ?
N114 Zn5 N113 75.9(5) . . ?
N115 Zn5 N113 149.3(6) . . ?
N15 Zn5 N113 101.8(6) . . ?
N14 Zn5 N13 75.8(5) . . ?
N114 Zn5 N13 91.9(6) . . ?
N115 Zn5 N13 99.8(6) . . ?
N15 Zn5 N13 149.9(5) . . ?
N113 Zn5 N13 88.9(6) . . ?
C17 S1 C101 104.8(9) . . ?
C104 S2 C37 106.4(8) . . ?
C107 S3 C57 105.3(9) . . ?
C110 S4 C77 106.7(9) . . ?
C113 S5 C97 108.2(9) . . ?
C1 N1 C5 118.3(8) . . ?
C1 N1 Zn1 130.9(8) . . ?
C5 N1 Zn1 110.5(7) . . ?
C12 N2 C6 119.0(7) . . ?
C12 N2 Zn1 122.6(7) . . ?
C6 N2 Zn1 118.1(6) . . ?
C13 N3 C14 123.0(11) . . ?
C13 N3 Zn1 113.4(8) . . ?
C14 N3 Zn1 122.4(9) . . ?
C21 N4 C25 116.8(9) . . ?
C21 N4 Zn2 133.3(9) . . ?
C25 N4 Zn2 109.8(7) . . ?
C32 N5 C26 117.9(7) . . ?
C32 N5 Zn2 120.8(7) . . ?
C26 N5 Zn2 121.3(7) . . ?
C33 N6 C34 119.8(12) . . ?
C33 N6 Zn2 111.1(8) . . ?
C34 N6 Zn2 128.4(10) . . ?
C41 N7 C45 117.3(9) . . ?
C41 N7 Zn3 131.6(10) . . ?
C45 N7 Zn3 109.6(8) . . ?
C52 N8 C46 119.6(8) . . ?
C52 N8 Zn3 123.6(7) . . ?
C46 N8 Zn3 116.1(7) . . ?
C53 N9 C54 122.9(11) . . ?
C53 N9 Zn3 111.5(9) . . ?
C54 N9 Zn3 122.5(9) . . ?
C61 N10 C65 117.7(9) . . ?
C61 N10 Zn4 131.1(9) . . ?
C65 N10 Zn4 110.6(7) . . ?
C72 N11 C66 118.3(7) . . ?
C72 N11 Zn4 119.5(7) . . ?
C66 N11 Zn4 122.0(7) . . ?
C73 N12 C74 121.6(10) . . ?
C73 N12 Zn4 112.1(8) . . ?
C74 N12 Zn4 125.0(8) . . ?
C81 N13 C85 117.7(9) . . ?
C81 N13 Zn5 132.9(9) . . ?
C85 N13 Zn5 109.2(8) . . ?
C92 N14 C86 118.6(7) . . ?
C92 N14 Zn5 121.5(7) . . ?
C86 N14 Zn5 119.3(7) . . ?
C93 N15 C94 121.1(12) . . ?
C93 N15 Zn5 112.2(8) . . ?
C94 N15 Zn5 126.4(10) . . ?
N1 C1 C2 122.5(10) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C3 C2 C1 120.2(10) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 119.0(10) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C3 C4 C5 116.8(8) . . ?
C3 C4 C9 125.0(10) . . ?
C5 C4 C9 118.2(9) . . ?
N1 C5 C4 123.1(8) . . ?
N1 C5 C6 117.5(8) . . ?
C4 C5 C6 119.4(7) . . ?
N2 C6 C7 122.4(7) . . ?
N2 C6 C5 116.8(7) . . ?
C7 C6 C5 120.8(7) . . ?
C10 C7 C6 116.5(8) . . ?
C10 C7 C8 125.7(9) . . ?
C6 C7 C8 117.7(9) . . ?
C9 C8 C7 121.4(11) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C4 122.5(11) . . ?
C8 C9 H9 118.8 . . ?
C4 C9 H9 118.8 . . ?
C11 C10 C7 120.8(10) . . ?
C11 C10 H10 119.6 . . ?
C7 C10 H10 119.6 . . ?
C10 C11 C12 117.9(9) . . ?
C10 C11 H11 121.0 . . ?
C12 C11 H11 121.0 . . ?
N2 C12 C11 123.4(8) . . ?
N2 C12 C13 112.6(8) . . ?
C11 C12 C13 123.9(9) . . ?
N3 C13 C12 117.9(10) . . ?
N3 C13 H13 121.1 . . ?
C12 C13 H13 121.1 . . ?
C15 C14 C19 119.5(8) . . ?
C15 C14 N3 119.6(11) . . ?
C19 C14 N3 120.7(11) . . ?
C16 C15 C14 120.4(9) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 119.8(9) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C16 119.8(8) . . ?
C18 C17 S1 123.3(10) . . ?
C16 C17 S1 116.8(9) . . ?
C19 C18 C17 120.8(9) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C18 C19 C14 119.6(9) . . ?
C18 C19 H19 120.2 . . ?
C14 C19 H19 120.2 . . ?
N4 C21 C22 124.5(10) . . ?
N4 C21 H21 117.8 . . ?
C22 C21 H21 117.8 . . ?
C23 C22 C21 118.4(11) . . ?
C23 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
C22 C23 C24 121.0(11) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C25 C24 C23 114.8(9) . . ?
C25 C24 C29 119.9(10) . . ?
C23 C24 C29 125.2(10) . . ?
N4 C25 C24 124.4(8) . . ?
N4 C25 C26 117.4(8) . . ?
C24 C25 C26 118.2(8) . . ?
N5 C26 C27 123.6(7) . . ?
N5 C26 C25 116.0(8) . . ?
C27 C26 C25 120.4(7) . . ?
C30 C27 C26 116.3(8) . . ?
C30 C27 C28 124.3(10) . . ?
C26 C27 C28 119.4(9) . . ?
C29 C28 C27 120.3(11) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C24 121.7(11) . . ?
C28 C29 H29 119.2 . . ?
C24 C29 H29 119.2 . . ?
C31 C30 C27 119.6(10) . . ?
C31 C30 H30 120.2 . . ?
C27 C30 H30 120.2 . . ?
C30 C31 C32 119.4(10) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
N5 C32 C31 123.2(8) . . ?
N5 C32 C33 111.8(9) . . ?
C31 C32 C33 124.9(9) . . ?
N6 C33 C32 120.1(11) . . ?
N6 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C39 118.9(8) . . ?
C35 C34 N6 118.1(11) . . ?
C39 C34 N6 122.7(11) . . ?
C34 C35 C36 120.5(9) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C37 C36 C35 120.3(9) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C36 C37 C38 119.4(8) . . ?
C36 C37 S2 118.6(10) . . ?
C38 C37 S2 122.0(10) . . ?
C37 C38 C39 120.8(9) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
C38 C39 C34 120.0(9) . . ?
C38 C39 H39 120.0 . . ?
C34 C39 H39 120.0 . . ?
N7 C41 C42 122.9(11) . . ?
N7 C41 H41 118.6 . . ?
C42 C41 H41 118.6 . . ?
C43 C42 C41 120.0(11) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 119.7(11) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C45 C44 C43 115.8(9) . . ?
C45 C44 C49 118.4(10) . . ?
C43 C44 C49 125.8(11) . . ?
N7 C45 C44 124.2(8) . . ?
N7 C45 C46 116.4(8) . . ?
C44 C45 C46 119.3(8) . . ?
N8 C46 C47 123.6(7) . . ?
N8 C46 C45 115.0(8) . . ?
C47 C46 C45 121.4(8) . . ?
C46 C47 C50 114.5(8) . . ?
C46 C47 C48 116.3(9) . . ?
C50 C47 C48 129.2(10) . . ?
C49 C48 C47 122.4(12) . . ?
C49 C48 H48 118.8 . . ?
C47 C48 H48 118.8 . . ?
C48 C49 C44 122.2(12) . . ?
C48 C49 H49 118.9 . . ?
C44 C49 H49 118.9 . . ?
C51 C50 C47 121.3(10) . . ?
C51 C50 H50 119.3 . . ?
C47 C50 H50 119.3 . . ?
C50 C51 C52 118.8(10) . . ?
C50 C51 H51 120.6 . . ?
C52 C51 H51 120.6 . . ?
N8 C52 C51 122.1(8) . . ?
N8 C52 C53 110.2(9) . . ?
C51 C52 C53 127.7(9) . . ?
N9 C53 C52 119.5(11) . . ?
N9 C53 H53 120.2 . . ?
C52 C53 H53 120.2 . . ?
C55 C54 N9 122.2(10) . . ?
C55 C54 C59 119.2(8) . . ?
N9 C54 C59 118.5(11) . . ?
C56 C55 C54 120.9(9) . . ?
C56 C55 H55 119.5 . . ?
C54 C55 H55 119.5 . . ?
C55 C56 C57 119.6(9) . . ?
C55 C56 H56 120.2 . . ?
C57 C56 H56 120.2 . . ?
C58 C57 C56 119.6(8) . . ?
C58 C57 S3 118.9(9) . . ?
C56 C57 S3 121.5(9) . . ?
C59 C58 C57 120.6(9) . . ?
C59 C58 H58 119.7 . . ?
C57 C58 H58 119.7 . . ?
C58 C59 C54 120.0(9) . . ?
C58 C59 H59 120.0 . . ?
C54 C59 H59 120.0 . . ?
N10 C61 C62 122.4(10) . . ?
N10 C61 H61 118.8 . . ?
C62 C61 H61 118.8 . . ?
C63 C62 C61 120.1(11) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C62 C63 C64 119.9(11) . . ?
C62 C63 H63 120.1 . . ?
C64 C63 H63 120.1 . . ?
C63 C64 C65 115.8(9) . . ?
C63 C64 C69 125.4(11) . . ?
C65 C64 C69 118.8(10) . . ?
N10 C65 C64 124.0(8) . . ?
N10 C65 C66 116.6(8) . . ?
C64 C65 C66 119.4(8) . . ?
N11 C66 C67 122.7(7) . . ?
N11 C66 C65 116.5(8) . . ?
C67 C66 C65 120.8(7) . . ?
C70 C67 C66 116.0(8) . . ?
C70 C67 C68 127.1(10) . . ?
C66 C67 C68 116.9(9) . . ?
C69 C68 C67 122.5(12) . . ?
C69 C68 H68 118.7 . . ?
C67 C68 H68 118.7 . . ?
C68 C69 C64 121.6(12) . . ?
C68 C69 H69 119.2 . . ?
C64 C69 H69 119.2 . . ?
C71 C70 C67 121.1(10) . . ?
C71 C70 H70 119.5 . . ?
C67 C70 H70 119.5 . . ?
C70 C71 C72 118.5(10) . . ?
C70 C71 H71 120.7 . . ?
C72 C71 H71 120.7 . . ?
N11 C72 C71 123.4(8) . . ?
N11 C72 C73 111.7(9) . . ?
C71 C72 C73 124.9(9) . . ?
N12 C73 C72 119.9(11) . . ?
N12 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C75 C74 C79 119.8(8) . . ?
C75 C74 N12 121.8(10) . . ?
C79 C74 N12 118.3(10) . . ?
C76 C75 C74 120.1(9) . . ?
C76 C75 H75 119.9 . . ?
C74 C75 H75 119.9 . . ?
C75 C76 C77 120.1(9) . . ?
C75 C76 H76 119.9 . . ?
C77 C76 H76 119.9 . . ?
C76 C77 C78 119.8(8) . . ?
C76 C77 S4 121.7(10) . . ?
C78 C77 S4 118.4(10) . . ?
C79 C78 C77 120.6(9) . . ?
C79 C78 H78 119.7 . . ?
C77 C78 H78 119.7 . . ?
C78 C79 C74 119.6(9) . . ?
C78 C79 H79 120.2 . . ?
C74 C79 H79 120.2 . . ?
N13 C81 C82 122.8(11) . . ?
N13 C81 H81 118.6 . . ?
C82 C81 H81 118.6 . . ?
C83 C82 C81 120.1(11) . . ?
C83 C82 H82 120.0 . . ?
C81 C82 H82 120.0 . . ?
C82 C83 C84 119.7(11) . . ?
C82 C83 H83 120.1 . . ?
C84 C83 H83 120.1 . . ?
C85 C84 C83 115.8(9) . . ?
C85 C84 C89 119.2(10) . . ?
C83 C84 C89 125.0(11) . . ?
N13 C85 C84 123.9(8) . . ?
N13 C85 C86 117.4(8) . . ?
C84 C85 C86 118.6(8) . . ?
N14 C86 C87 123.1(7) . . ?
N14 C86 C85 116.3(8) . . ?
C87 C86 C85 120.5(8) . . ?
C86 C87 C90 115.6(8) . . ?
C86 C87 C88 119.1(9) . . ?
C90 C87 C88 125.2(10) . . ?
C89 C88 C87 120.1(12) . . ?
C89 C88 H88 119.9 . . ?
C87 C88 H88 119.9 . . ?
C88 C89 C84 122.4(12) . . ?
C88 C89 H89 118.8 . . ?
C84 C89 H89 118.8 . . ?
C91 C90 C87 120.7(10) . . ?
C91 C90 H90 119.6 . . ?
C87 C90 H90 119.6 . . ?
C90 C91 C92 119.1(10) . . ?
C90 C91 H91 120.5 . . ?
C92 C91 H91 120.5 . . ?
N14 C92 C91 122.9(8) . . ?
N14 C92 C93 112.2(9) . . ?
C91 C92 C93 124.9(9) . . ?
N15 C93 C92 118.4(11) . . ?
N15 C93 H93 120.8 . . ?
C92 C93 H93 120.8 . . ?
C95 C94 C99 119.1(8) . . ?
C95 C94 N15 119.0(11) . . ?
C99 C94 N15 121.7(11) . . ?
C96 C95 C94 121.1(9) . . ?
C96 C95 H95 119.5 . . ?
C94 C95 H95 119.5 . . ?
C97 C96 C95 119.6(9) . . ?
C97 C96 H96 120.2 . . ?
C95 C96 H96 120.2 . . ?
C96 C97 C98 120.0(8) . . ?
C96 C97 S5 116.2(9) . . ?
C98 C97 S5 123.8(10) . . ?
C99 C98 C97 120.5(9) . . ?
C99 C98 H98 119.8 . . ?
C97 C98 H98 119.8 . . ?
C98 C99 C94 119.7(9) . . ?
C98 C99 H99 120.2 . . ?
C94 C99 H99 120.2 . . ?
C115 C101 C102 122.3(17) . . ?
C115 C101 S1 116.8(14) . . ?
C102 C101 S1 118.5(14) . . ?
C116 C102 C103 116.0(17) . . ?
C116 C102 C101 112.5(17) . . ?
C103 C102 C101 131.4(17) . . ?
C104 C103 C102 120.9(17) . . ?
C104 C103 H103 119.5 . . ?
C102 C103 H103 119.5 . . ?
C103 C104 C105 120.3(17) . . ?
C103 C104 S2 116.2(14) . . ?
C105 C104 S2 123.1(15) . . ?
C117 C105 C106 114.3(17) . . ?
C117 C105 C104 116.7(17) . . ?
C106 C105 C104 127.3(18) . . ?
C107 C106 C105 121.6(18) . . ?
C107 C106 H106 119.2 . . ?
C105 C106 H106 119.2 . . ?
C106 C107 C108 118.9(17) . . ?
C106 C107 S3 119.3(15) . . ?
C108 C107 S3 120.4(15) . . ?
C118 C108 C109 115.7(18) . . ?
C118 C108 C107 117.8(18) . . ?
C109 C108 C107 126.0(18) . . ?
C110 C109 C108 121.4(18) . . ?
C110 C109 H109 119.3 . . ?
C108 C109 H109 119.3 . . ?
C109 C110 C111 120.9(17) . . ?
C109 C110 S4 118.0(15) . . ?
C111 C110 S4 120.3(15) . . ?
C119 C111 C112 115.8(17) . . ?
C119 C111 C110 113.6(17) . . ?
C112 C111 C110 130.0(19) . . ?
C113 C112 C111 122.5(18) . . ?
C113 C112 H112 118.8 . . ?
C111 C112 H112 118.8 . . ?
C112 C113 C114 121.0(17) . . ?
C112 C113 S5 117.9(15) . . ?
C114 C113 S5 120.7(14) . . ?
C120 C114 C115 116.2(18) . . ?
C120 C114 C113 114.4(17) . . ?
C115 C114 C113 128.0(18) . . ?
C114 C115 C101 120.9(17) . . ?
C114 C115 H115 119.6 . . ?
C101 C115 H115 119.6 . . ?
C102 C116 C120 121.1(18) . . ?
C102 C116 C117 123.2(18) . . ?
C120 C116 C117 108.0(16) . . ?
C105 C117 C118 125.8(18) . . ?
C105 C117 C116 120.5(17) . . ?
C118 C117 C116 107.7(16) . . ?
C108 C118 C119 124.8(19) . . ?
C108 C118 C117 119.3(18) . . ?
C119 C118 C117 107.5(17) . . ?
C118 C119 C120 110.1(16) . . ?
C118 C119 C111 121.1(18) . . ?
C120 C119 C111 118.2(18) . . ?
C114 C120 C116 124.8(18) . . ?
C114 C120 C119 125.6(18) . . ?
C116 C120 C119 106.4(16) . . ?
C304 S6 C217 106.2(9) . . ?
C307 S7 C237 104.7(9) . . ?
C257 S8 C310 105.0(9) . . ?
C313 S9 C277 106.2(10) . . ?
C301 S10 C297 108.5(10) . . ?
C201 N101 C205 118.5(11) . . ?
C201 N101 Zn4 130.6(11) . . ?
C205 N101 Zn4 110.0(8) . . ?
C212 N102 C206 118.6(10) . . ?
C212 N102 Zn4 124.5(9) . . ?
C206 N102 Zn4 116.6(8) . . ?
C213 N103 C214 119.6(13) . . ?
C213 N103 Zn4 111.0(9) . . ?
C214 N103 Zn4 127.0(10) . . ?
C221 N104 C225 113.7(13) . . ?
C221 N104 Zn3 129.2(12) . . ?
C225 N104 Zn3 113.9(10) . . ?
C232 N105 C226 117.4(12) . . ?
C232 N105 Zn3 122.7(10) . . ?
C226 N105 Zn3 119.8(10) . . ?
C233 N106 C234 121.0(16) . . ?
C233 N106 Zn3 113.4(11) . . ?
C234 N106 Zn3 124.4(13) . . ?
C241 N107 C245 117.1(12) . . ?
C241 N107 Zn2 130.4(11) . . ?
C245 N107 Zn2 112.5(9) . . ?
C252 N108 C246 119.7(11) . . ?
C252 N108 Zn2 121.4(9) . . ?
C246 N108 Zn2 118.4(9) . . ?
C253 N109 C254 121.3(13) . . ?
C253 N109 Zn2 112.8(10) . . ?
C254 N109 Zn2 124.5(12) . . ?
C261 N110 C265 117.7(13) . . ?
C261 N110 Zn1 129.1(11) . . ?
C265 N110 Zn1 113.1(9) . . ?
C272 N111 C266 119.1(11) . . ?
C272 N111 Zn1 121.2(9) . . ?
C266 N111 Zn1 119.6(9) . . ?
C273 N112 C274 122.7(13) . . ?
C273 N112 Zn1 112.2(10) . . ?
C274 N112 Zn1 123.6(11) . . ?
C281 N113 C285 117.4(13) . . ?
C281 N113 Zn5 132.3(12) . . ?
C285 N113 Zn5 110.4(10) . . ?
C292 N114 C286 119.0(12) . . ?
C292 N114 Zn5 121.7(10) . . ?
C286 N114 Zn5 119.2(10) . . ?
C293 N115 C294 122.9(14) . . ?
C293 N115 Zn5 113.0(10) . . ?
C294 N115 Zn5 122.3(12) . . ?
N101 C201 C202 121.7(13) . . ?
N101 C201 H201 119.1 . . ?
C202 C201 H201 119.1 . . ?
C203 C202 C201 121.0(14) . . ?
C203 C202 H202 119.5 . . ?
C201 C202 H202 119.5 . . ?
C202 C203 C204 118.2(13) . . ?
C202 C203 H203 120.9 . . ?
C204 C203 H203 120.9 . . ?
C203 C204 C205 117.1(12) . . ?
C203 C204 C209 124.6(13) . . ?
C205 C204 C209 118.2(12) . . ?
N101 C205 C204 123.5(11) . . ?
N101 C205 C206 117.0(11) . . ?
C204 C205 C206 119.5(11) . . ?
N102 C206 C207 122.7(10) . . ?
N102 C206 C205 117.1(11) . . ?
C207 C206 C205 120.2(10) . . ?
C210 C207 C206 116.3(11) . . ?
C210 C207 C208 125.0(12) . . ?
C206 C207 C208 118.5(11) . . ?
C209 C208 C207 120.4(14) . . ?
C209 C208 H208 119.8 . . ?
C207 C208 H208 119.8 . . ?
C208 C209 C204 123.0(14) . . ?
C208 C209 H209 118.5 . . ?
C204 C209 H209 118.5 . . ?
C211 C210 C207 120.7(13) . . ?
C211 C210 H210 119.7 . . ?
C207 C210 H210 119.7 . . ?
C210 C211 C212 117.8(13) . . ?
C210 C211 H211 121.1 . . ?
C212 C211 H211 121.1 . . ?
N102 C212 C211 123.6(11) . . ?
N102 C212 C213 112.8(11) . . ?
C211 C212 C213 123.6(12) . . ?
N103 C213 C212 118.7(13) . . ?
N103 C213 H213 120.6 . . ?
C212 C213 H213 120.6 . . ?
C215 C214 C219 118.2(11) . . ?
C215 C214 N103 120.3(13) . . ?
C219 C214 N103 121.4(12) . . ?
C214 C215 C216 120.8(12) . . ?
C214 C215 H215 119.6 . . ?
C216 C215 H215 119.6 . . ?
C217 C216 C215 120.5(12) . . ?
C217 C216 H216 119.8 . . ?
C215 C216 H216 119.8 . . ?
C218 C217 C216 118.6(11) . . ?
C218 C217 S6 123.8(11) . . ?
C216 C217 S6 117.6(10) . . ?
C219 C218 C217 121.2(12) . . ?
C219 C218 H218 119.4 . . ?
C217 C218 H218 119.4 . . ?
C218 C219 C214 120.6(12) . . ?
C218 C219 H219 119.7 . . ?
C214 C219 H219 119.7 . . ?
N104 C221 C222 124.7(15) . . ?
N104 C221 H221 117.6 . . ?
C222 C221 H221 117.6 . . ?
C223 C222 C221 117.7(15) . . ?
C223 C222 H222 121.1 . . ?
C221 C222 H222 121.1 . . ?
C222 C223 C224 121.7(15) . . ?
C222 C223 H223 119.2 . . ?
C224 C223 H223 119.2 . . ?
C225 C224 C223 113.3(12) . . ?
C225 C224 C229 121.7(13) . . ?
C223 C224 C229 124.9(14) . . ?
N104 C225 C224 125.6(12) . . ?
N104 C225 C226 117.7(12) . . ?
C224 C225 C226 116.5(11) . . ?
N105 C226 C227 125.1(11) . . ?
N105 C226 C225 114.5(12) . . ?
C227 C226 C225 120.4(11) . . ?
C230 C227 C226 114.1(12) . . ?
C230 C227 C228 124.3(14) . . ?
C226 C227 C228 120.3(13) . . ?
C229 C228 C227 119.0(15) . . ?
C229 C228 H228 120.5 . . ?
C227 C228 H228 120.5 . . ?
C228 C229 C224 120.5(16) . . ?
C228 C229 H229 119.7 . . ?
C224 C229 H229 119.7 . . ?
C231 C230 C227 118.6(15) . . ?
C231 C230 H230 120.7 . . ?
C227 C230 H230 120.7 . . ?
C230 C231 C232 121.3(14) . . ?
C230 C231 H231 119.3 . . ?
C232 C231 H231 119.3 . . ?
N105 C232 C231 121.1(13) . . ?
N105 C232 C233 111.2(13) . . ?
C231 C232 C233 127.0(15) . . ?
N106 C233 C232 121.3(16) . . ?
N106 C233 H233 119.4 . . ?
C232 C233 H233 119.4 . . ?
C235 C234 C239 118.2(12) . . ?
C235 C234 N106 120.0(15) . . ?
C239 C234 N106 121.0(15) . . ?
C234 C235 C236 121.5(14) . . ?
C234 C235 H235 119.3 . . ?
C236 C235 H235 119.3 . . ?
C237 C236 C235 119.8(13) . . ?
C237 C236 H236 120.1 . . ?
C235 C236 H236 120.1 . . ?
C236 C237 C238 119.1(12) . . ?
C236 C237 S7 119.6(12) . . ?
C238 C237 S7 121.3(13) . . ?
C237 C238 C239 121.4(14) . . ?
C237 C238 H238 119.3 . . ?
C239 C238 H238 119.3 . . ?
C238 C239 C234 120.0(14) . . ?
C238 C239 H239 120.0 . . ?
C234 C239 H239 120.0 . . ?
N107 C241 C242 122.1(14) . . ?
N107 C241 H241 118.9 . . ?
C242 C241 H241 118.9 . . ?
C243 C242 C241 120.8(15) . . ?
C243 C242 H242 119.6 . . ?
C241 C242 H242 119.6 . . ?
C242 C243 C244 119.6(14) . . ?
C242 C243 H243 120.2 . . ?
C244 C243 H243 120.2 . . ?
C245 C244 C243 115.5(12) . . ?
C245 C244 C249 118.8(13) . . ?
C243 C244 C249 125.3(14) . . ?
N107 C245 C244 124.3(12) . . ?
N107 C245 C246 115.7(12) . . ?
C244 C245 C246 119.1(11) . . ?
N108 C246 C247 123.3(11) . . ?
N108 C246 C245 115.2(11) . . ?
C247 C246 C245 121.1(11) . . ?
C246 C247 C250 114.0(12) . . ?
C246 C247 C248 116.5(13) . . ?
C250 C247 C248 128.9(14) . . ?
C249 C248 C247 122.0(15) . . ?
C249 C248 H248 119.0 . . ?
C247 C248 H248 119.0 . . ?
C248 C249 C244 122.2(15) . . ?
C248 C249 H249 118.9 . . ?
C244 C249 H249 118.9 . . ?
C251 C250 C247 121.1(15) . . ?
C251 C250 H250 119.5 . . ?
C247 C250 H250 119.5 . . ?
C250 C251 C252 119.0(14) . . ?
C250 C251 H251 120.5 . . ?
C252 C251 H251 120.5 . . ?
N108 C252 C251 121.0(12) . . ?
N108 C252 C253 111.1(12) . . ?
C251 C252 C253 128.0(13) . . ?
N109 C253 C252 119.2(14) . . ?
N109 C253 H253 120.4 . . ?
C252 C253 H253 120.4 . . ?
C255 C254 N109 120.5(12) . . ?
C255 C254 C259 119.0(11) . . ?
N109 C254 C259 120.2(12) . . ?
C256 C255 C254 121.0(12) . . ?
C256 C255 H255 119.5 . . ?
C254 C255 H255 119.5 . . ?
C255 C256 C257 119.8(12) . . ?
C255 C256 H256 120.1 . . ?
C257 C256 H256 120.1 . . ?
C258 C257 C256 119.5(11) . . ?
C258 C257 S8 122.8(11) . . ?
C256 C257 S8 117.6(10) . . ?
C259 C258 C257 120.3(13) . . ?
C259 C258 H258 119.9 . . ?
C257 C258 H258 119.9 . . ?
C258 C259 C254 120.0(13) . . ?
C258 C259 H259 120.0 . . ?
C254 C259 H259 120.0 . . ?
N110 C261 C262 121.5(15) . . ?
N110 C261 H261 119.3 . . ?
C262 C261 H261 119.3 . . ?
C263 C262 C261 120.8(15) . . ?
C263 C262 H262 119.6 . . ?
C261 C262 H262 119.6 . . ?
C262 C263 C264 120.2(15) . . ?
C262 C263 H263 119.9 . . ?
C264 C263 H263 119.9 . . ?
C263 C264 C269 125.3(15) . . ?
C263 C264 C265 115.0(13) . . ?
C269 C264 C265 118.6(13) . . ?
N110 C265 C264 124.5(11) . . ?
N110 C265 C266 116.6(12) . . ?
C264 C265 C266 118.9(11) . . ?
N111 C266 C267 122.0(11) . . ?
N111 C266 C265 116.3(11) . . ?
C267 C266 C265 121.7(11) . . ?
C270 C267 C266 115.6(12) . . ?
C270 C267 C268 128.5(14) . . ?
C266 C267 C268 115.9(12) . . ?
C269 C268 C267 122.9(15) . . ?
C269 C268 H268 118.6 . . ?
C267 C268 H268 118.6 . . ?
C268 C269 C264 121.7(15) . . ?
C268 C269 H269 119.2 . . ?
C264 C269 H269 119.2 . . ?
C271 C270 C267 122.6(15) . . ?
C271 C270 H270 118.7 . . ?
C267 C270 H270 118.7 . . ?
C270 C271 C272 117.8(14) . . ?
C270 C271 H271 121.1 . . ?
C272 C271 H271 121.1 . . ?
N111 C272 C271 123.0(12) . . ?
N111 C272 C273 111.5(12) . . ?
C271 C272 C273 125.3(13) . . ?
N112 C273 C272 121.2(14) . . ?
N112 C273 H273 119.4 . . ?
C272 C273 H273 119.4 . . ?
C275 C274 C279 119.9(12) . . ?
C275 C274 N112 120.1(13) . . ?
C279 C274 N112 119.8(13) . . ?
C276 C275 C274 120.0(13) . . ?
C276 C275 H275 120.0 . . ?
C274 C275 H275 120.0 . . ?
C275 C276 C277 120.1(13) . . ?
C275 C276 H276 120.0 . . ?
C277 C276 H276 120.0 . . ?
C276 C277 C278 120.1(11) . . ?
C276 C277 S9 118.5(12) . . ?
C278 C277 S9 121.3(12) . . ?
C279 C278 C277 120.2(13) . . ?
C279 C278 H278 119.9 . . ?
C277 C278 H278 119.9 . . ?
C278 C279 C274 119.2(13) . . ?
C278 C279 H279 120.4 . . ?
C274 C279 H279 120.4 . . ?
N113 C281 C282 122.5(15) . . ?
N113 C281 H281 118.7 . . ?
C282 C281 H281 118.7 . . ?
C283 C282 C281 120.3(16) . . ?
C283 C282 H282 119.9 . . ?
C281 C282 H282 119.9 . . ?
C282 C283 C284 119.3(15) . . ?
C282 C283 H283 120.4 . . ?
C284 C283 H283 120.4 . . ?
C283 C284 C289 124.9(15) . . ?
C283 C284 C285 115.7(13) . . ?
C289 C284 C285 119.3(13) . . ?
N113 C285 C284 124.2(12) . . ?
N113 C285 C286 117.8(12) . . ?
C284 C285 C286 117.6(12) . . ?
N114 C286 C287 122.3(11) . . ?
N114 C286 C285 116.0(12) . . ?
C287 C286 C285 121.5(12) . . ?
C286 C287 C290 115.9(12) . . ?
C286 C287 C288 118.7(13) . . ?
C290 C287 C288 125.4(14) . . ?
C289 C288 C287 119.2(16) . . ?
C289 C288 H288 120.4 . . ?
C287 C288 H288 120.4 . . ?
C288 C289 C284 123.4(16) . . ?
C288 C289 H289 118.3 . . ?
C284 C289 H289 118.3 . . ?
C291 C290 C287 121.2(15) . . ?
C291 C290 H290 119.4 . . ?
C287 C290 H290 119.4 . . ?
C290 C291 C292 118.2(14) . . ?
C290 C291 H291 120.9 . . ?
C292 C291 H291 120.9 . . ?
N114 C292 C291 123.2(12) . . ?
N114 C292 C293 111.5(12) . . ?
C291 C292 C293 125.3(14) . . ?
N115 C293 C292 119.0(14) . . ?
N115 C293 H293 120.5 . . ?
C292 C293 H293 120.5 . . ?
C295 C294 C299 119.4(12) . . ?
C295 C294 N115 119.2(13) . . ?
C299 C294 N115 121.4(13) . . ?
C296 C295 C294 121.8(13) . . ?
C296 C295 H295 119.1 . . ?
C294 C295 H295 119.1 . . ?
C297 C296 C295 118.4(13) . . ?
C297 C296 H296 120.8 . . ?
C295 C296 H296 120.8 . . ?
C296 C297 C298 121.0(11) . . ?
C296 C297 S10 115.6(12) . . ?
C298 C297 S10 123.1(12) . . ?
C299 C298 C297 120.3(13) . . ?
C299 C298 H298 119.8 . . ?
C297 C298 H298 119.8 . . ?
C298 C299 C294 119.0(13) . . ?
C298 C299 H299 120.5 . . ?
C294 C299 H299 120.5 . . ?
C315 C301 C302 122.6(18) . . ?
C315 C301 S10 119.0(15) . . ?
C302 C301 S10 117.9(15) . . ?
C316 C302 C303 116.7(17) . . ?
C316 C302 C301 112.4(18) . . ?
C303 C302 C301 130.1(19) . . ?
C302 C303 C304 119.7(17) . . ?
C302 C303 H303 120.2 . . ?
C304 C303 H303 120.2 . . ?
C303 C304 C305 122.8(17) . . ?
C303 C304 S6 115.4(14) . . ?
C305 C304 S6 121.5(14) . . ?
C317 C305 C306 115.4(17) . . ?
C317 C305 C304 114.8(17) . . ?
C306 C305 C304 127.0(17) . . ?
C307 C306 C305 120.3(17) . . ?
C307 C306 H306 119.8 . . ?
C305 C306 H306 119.8 . . ?
C306 C307 C308 119.6(16) . . ?
C306 C307 S7 116.3(14) . . ?
C308 C307 S7 123.6(13) . . ?
C318 C308 C309 115.2(17) . . ?
C318 C308 C307 117.8(17) . . ?
C309 C308 C307 125.1(17) . . ?
C310 C309 C308 121.9(17) . . ?
C310 C309 H309 119.1 . . ?
C308 C309 H309 119.1 . . ?
C309 C310 C311 121.1(16) . . ?
C309 C310 S8 117.5(14) . . ?
C311 C310 S8 120.1(14) . . ?
C312 C311 C319 114.7(17) . . ?
C312 C311 C310 132.1(18) . . ?
C319 C311 C310 113.0(17) . . ?
C313 C312 C311 124.7(19) . . ?
C313 C312 H312 117.7 . . ?
C311 C312 H312 117.7 . . ?
C312 C313 C314 119.2(19) . . ?
C312 C313 S9 117.4(16) . . ?
C314 C313 S9 120.8(17) . . ?
C320 C314 C315 116.8(19) . . ?
C320 C314 C313 114.2(19) . . ?
C315 C314 C313 129(2) . . ?
C314 C315 C301 120.3(19) . . ?
C314 C315 H315 119.8 . . ?
C301 C315 H315 119.8 . . ?
C302 C316 C320 122.9(18) . . ?
C302 C316 C317 122.9(18) . . ?
C320 C316 C317 108.5(16) . . ?
C305 C317 C318 125.6(18) . . ?
C305 C317 C316 121.5(17) . . ?
C318 C317 C316 106.9(16) . . ?
C308 C318 C317 120.6(18) . . ?
C308 C318 C319 125.1(18) . . ?
C317 C318 C319 108.4(17) . . ?
C318 C319 C320 111.0(16) . . ?
C318 C319 C311 120.9(18) . . ?
C320 C319 C311 119.0(17) . . ?
C314 C320 C319 124.8(18) . . ?
C314 C320 C316 122.8(19) . . ?
C319 C320 C316 105.1(16) . . ?
B7 B1 B3 61.9(12) . . ?
B7 B1 B4 109.8(16) . . ?
B3 B1 B4 59.7(12) . . ?
B7 B1 B6 62.0(12) . . ?
B3 B1 B6 108.1(16) . . ?
B4 B1 B6 104.4(16) . . ?
B7 B1 B5 109.8(16) . . ?
B3 B1 B5 106.0(16) . . ?
B4 B1 B5 57.2(11) . . ?
B6 B1 B5 58.6(11) . . ?
B7 B1 H1A 118.5 . . ?
B3 B1 H1A 121.7 . . ?
B4 B1 H1A 123.5 . . ?
B6 B1 H1A 122.8 . . ?
B5 B1 H1A 123.2 . . ?
B12 B2 B11 57.9(11) . . ?
B12 B2 B9 111.1(17) . . ?
B11 B2 B9 112.2(17) . . ?
B12 B2 B8 61.0(12) . . ?
B11 B2 B8 109.7(16) . . ?
B9 B2 B8 62.9(13) . . ?
B12 B2 B10 107.1(16) . . ?
B11 B2 B10 62.5(12) . . ?
B9 B2 B10 59.8(12) . . ?
B8 B2 B10 109.4(17) . . ?
B12 B2 H2A 122.4 . . ?
B11 B2 H2A 120.2 . . ?
B9 B2 H2A 118.7 . . ?
B8 B2 H2A 120.0 . . ?
B10 B2 H2A 121.8 . . ?
B8 B3 B1 108.5(16) . . ?
B8 B3 B4 109.7(17) . . ?
B1 B3 B4 61.6(12) . . ?
B8 B3 B9 62.9(12) . . ?
B1 B3 B9 110.2(17) . . ?
B4 B3 B9 59.7(12) . . ?
B8 B3 B7 60.7(11) . . ?
B1 B3 B7 58.8(11) . . ?
B4 B3 B7 108.8(16) . . ?
B9 B3 B7 111.4(16) . . ?
B8 B3 H3A 120.4 . . ?
B1 B3 H3A 121.5 . . ?
B4 B3 H3A 121.2 . . ?
B9 B3 H3A 119.3 . . ?
B7 B3 H3A 121.1 . . ?
B10 B4 B9 61.3(13) . . ?
B10 B4 B3 109.3(17) . . ?
B9 B4 B3 60.6(12) . . ?
B10 B4 B5 59.0(12) . . ?
B9 B4 B5 109.7(16) . . ?
B3 B4 B5 110.6(15) . . ?
B10 B4 B1 109.8(16) . . ?
B9 B4 B1 108.7(15) . . ?
B3 B4 B1 58.8(11) . . ?
B5 B4 B1 63.8(12) . . ?
B10 B4 H4 121.3 . . ?
B9 B4 H4 120.9 . . ?
B3 B4 H4 121.3 . . ?
B5 B4 H4 119.7 . . ?
B1 B4 H4 120.6 . . ?
B10 B5 B4 57.8(12) . . ?
B10 B5 B11 61.6(12) . . ?
B4 B5 B11 104.7(15) . . ?
B10 B5 B6 107.2(16) . . ?
B4 B5 B6 106.0(16) . . ?
B11 B5 B6 56.6(11) . . ?
B10 B5 B1 105.0(16) . . ?
B4 B5 B1 58.9(12) . . ?
B11 B5 B1 102.4(15) . . ?
B6 B5 B1 58.9(11) . . ?
B10 B5 H5 121.9 . . ?
B4 B5 H5 123.5 . . ?
B11 B5 H5 124.5 . . ?
B6 B5 H5 122.8 . . ?
B1 B5 H5 124.5 . . ?
B12 B6 B11 56.5(11) . . ?
B12 B6 B5 105.6(15) . . ?
B11 B6 B5 61.4(11) . . ?
B12 B6 B1 103.9(15) . . ?
B11 B6 B1 108.7(15) . . ?
B5 B6 B1 62.5(11) . . ?
B12 B6 B7 60.7(12) . . ?
B11 B6 B7 107.5(15) . . ?
B5 B6 B7 108.9(15) . . ?
B1 B6 B7 56.9(11) . . ?
B12 B6 H6 125.0 . . ?
B11 B6 H6 121.8 . . ?
B5 B6 H6 120.3 . . ?
B1 B6 H6 122.8 . . ?
B7 B6 H6 121.9 . . ?
B1 B7 B8 106.4(15) . . ?
B1 B7 B12 103.4(16) . . ?
B8 B7 B12 58.6(11) . . ?
B1 B7 B3 59.3(11) . . ?
B8 B7 B3 57.7(11) . . ?
B12 B7 B3 101.4(15) . . ?
B1 B7 B6 61.1(12) . . ?
B8 B7 B6 105.1(15) . . ?
B12 B7 B6 55.8(11) . . ?
B3 B7 B6 105.5(15) . . ?
B1 B7 H7 122.1 . . ?
B8 B7 H7 122.9 . . ?
B12 B7 H7 126.5 . . ?
B3 B7 H7 124.6 . . ?
B6 B7 H7 123.1 . . ?
B3 B8 B12 105.9(16) . . ?
B3 B8 B2 104.8(16) . . ?
B12 B8 B2 56.4(11) . . ?
B3 B8 B7 61.6(12) . . ?
B12 B8 B7 60.9(11) . . ?
B2 B8 B7 107.2(16) . . ?
B3 B8 B9 60.1(12) . . ?
B12 B8 B9 103.1(16) . . ?
B2 B8 B9 57.5(12) . . ?
B7 B8 B9 109.9(15) . . ?
B3 B8 H8A 122.3 . . ?
B12 B8 H8A 124.7 . . ?
B2 B8 H8A 124.7 . . ?
B7 B8 H8A 119.4 . . ?
B9 B8 H8A 122.9 . . ?
B2 B9 B10 61.5(13) . . ?
B2 B9 B4 105.0(16) . . ?
B10 B9 B4 56.8(12) . . ?
B2 B9 B3 104.1(16) . . ?
B10 B9 B3 105.1(16) . . ?
B4 B9 B3 59.7(12) . . ?
B2 B9 B8 59.6(11) . . ?
B10 B9 B8 108.1(15) . . ?
B4 B9 B8 105.2(15) . . ?
B3 B9 B8 57.1(11) . . ?
B2 B9 H9A 122.8 . . ?
B10 B9 H9A 122.1 . . ?
B4 B9 H9A 124.0 . . ?
B3 B9 H9A 124.3 . . ?
B8 B9 H9A 122.7 . . ?
B4 B10 B5 63.3(13) . . ?
B4 B10 B9 61.9(13) . . ?
B5 B10 B9 113.7(18) . . ?
B4 B10 B2 106.8(17) . . ?
B5 B10 B2 108.0(16) . . ?
B9 B10 B2 58.7(12) . . ?
B4 B10 B11 109.3(16) . . ?
B5 B10 B11 62.3(12) . . ?
B9 B10 B11 105.7(16) . . ?
B2 B10 B11 55.7(11) . . ?
B4 B10 H10A 120.1 . . ?
B5 B10 H10A 117.6 . . ?
B9 B10 H10A 120.5 . . ?
B2 B10 H10A 124.9 . . ?
B11 B10 H10A 123.4 . . ?
B12 B11 B2 60.8(12) . . ?
B12 B11 B6 61.1(12) . . ?
B2 B11 B6 110.5(17) . . ?
B12 B11 B10 108.8(17) . . ?
B2 B11 B10 61.8(12) . . ?
B6 B11 B10 107.2(16) . . ?
B12 B11 B5 109.6(17) . . ?
B2 B11 B5 108.0(16) . . ?
B6 B11 B5 61.9(12) . . ?
B10 B11 B5 56.2(11) . . ?
B12 B11 H11A 120.5 . . ?
B2 B11 H11A 120.1 . . ?
B6 B11 H11A 120.3 . . ?
B10 B11 H11A 123.0 . . ?
B5 B11 H11A 122.2 . . ?
B11 B12 B2 61.3(12) . . ?
B11 B12 B6 62.5(12) . . ?
B2 B12 B6 112.0(16) . . ?
B11 B12 B8 113.7(16) . . ?
B2 B12 B8 62.6(12) . . ?
B6 B12 B8 113.0(16) . . ?
B11 B12 B7 114.7(16) . . ?
B2 B12 B7 111.9(16) . . ?
B6 B12 B7 63.6(12) . . ?
B8 B12 B7 60.5(12) . . ?
B11 B12 H12 117.9 . . ?
B2 B12 H12 119.8 . . ?
B6 B12 H12 118.4 . . ?
B8 B12 H12 118.9 . . ?
B7 B12 H12 118.5 . . ?
B19 B13 B15 61.9(12) . . ?
B19 B13 B16 109.8(16) . . ?
B15 B13 B16 59.7(12) . . ?
B19 B13 B18 62.0(12) . . ?
B15 B13 B18 108.1(15) . . ?
B16 B13 B18 104.3(16) . . ?
B19 B13 B17 109.9(16) . . ?
B15 B13 B17 106.0(16) . . ?
B16 B13 B17 57.2(11) . . ?
B18 B13 B17 58.6(11) . . ?
B19 B13 H13A 118.5 . . ?
B15 B13 H13A 121.7 . . ?
B16 B13 H13A 123.5 . . ?
B18 B13 H13A 122.8 . . ?
B17 B13 H13A 123.2 . . ?
B24 B14 B23 57.9(11) . . ?
B24 B14 B21 111.0(17) . . ?
B23 B14 B21 112.3(17) . . ?
B24 B14 B20 60.9(12) . . ?
B23 B14 B20 109.6(16) . . ?
B21 B14 B20 62.9(13) . . ?
B24 B14 B22 107.0(16) . . ?
B23 B14 B22 62.5(12) . . ?
B21 B14 B22 59.8(12) . . ?
B20 B14 B22 109.3(16) . . ?
B24 B14 H14 122.5 . . ?
B23 B14 H14 120.2 . . ?
B21 B14 H14 118.6 . . ?
B20 B14 H14 120.1 . . ?
B22 B14 H14 121.8 . . ?
B20 B15 B13 108.6(16) . . ?
B20 B15 B16 109.7(18) . . ?
B13 B15 B16 61.6(12) . . ?
B20 B15 B21 63.0(12) . . ?
B13 B15 B21 110.2(17) . . ?
B16 B15 B21 59.5(12) . . ?
B20 B15 B19 60.8(11) . . ?
B13 B15 B19 58.8(11) . . ?
B16 B15 B19 108.9(16) . . ?
B21 B15 B19 111.5(16) . . ?
B20 B15 H15A 120.3 . . ?
B13 B15 H15A 121.4 . . ?
B16 B15 H15A 121.2 . . ?
B21 B15 H15A 119.4 . . ?
B19 B15 H15A 121.1 . . ?
B22 B16 B21 61.4(13) . . ?
B22 B16 B17 58.9(12) . . ?
B21 B16 B17 109.8(17) . . ?
B22 B16 B15 109.5(17) . . ?
B21 B16 B15 60.7(12) . . ?
B17 B16 B15 110.6(15) . . ?
B22 B16 B13 109.9(16) . . ?
B21 B16 B13 108.8(15) . . ?
B17 B16 B13 63.9(12) . . ?
B15 B16 B13 58.7(11) . . ?
B22 B16 H16A 121.2 . . ?
B21 B16 H16A 120.8 . . ?
B17 B16 H16A 119.7 . . ?
B15 B16 H16A 121.2 . . ?
B13 B16 H16A 120.6 . . ?
B22 B17 B16 57.8(12) . . ?
B22 B17 B23 61.5(12) . . ?
B16 B17 B23 104.6(15) . . ?
B22 B17 B18 107.3(15) . . ?
B16 B17 B18 106.1(16) . . ?
B23 B17 B18 56.6(11) . . ?
B22 B17 B13 105.1(16) . . ?
B16 B17 B13 59.0(12) . . ?
B23 B17 B13 102.3(15) . . ?
B18 B17 B13 59.0(11) . . ?
B22 B17 H17 121.8 . . ?
B16 B17 H17 123.5 . . ?
B23 B17 H17 124.6 . . ?
B18 B17 H17 122.8 . . ?
B13 B17 H17 124.5 . . ?
B24 B18 B23 56.3(11) . . ?
B24 B18 B17 105.5(15) . . ?
B23 B18 B17 61.6(11) . . ?
B24 B18 B13 103.7(15) . . ?
B23 B18 B13 108.7(15) . . ?
B17 B18 B13 62.5(11) . . ?
B24 B18 B19 60.6(11) . . ?
B23 B18 B19 107.4(15) . . ?
B17 B18 B19 108.8(15) . . ?
B13 B18 B19 56.8(11) . . ?
B24 B18 H18A 125.1 . . ?
B23 B18 H18A 121.8 . . ?
B17 B18 H18A 120.3 . . ?
B13 B18 H18A 122.8 . . ?
B19 B18 H18A 122.0 . . ?
B13 B19 B20 106.4(15) . . ?
B13 B19 B24 103.4(16) . . ?
B20 B19 B24 58.7(11) . . ?
B13 B19 B15 59.3(11) . . ?
B20 B19 B15 57.6(11) . . ?
B24 B19 B15 101.3(15) . . ?
B13 B19 B18 61.2(12) . . ?
B20 B19 B18 105.2(15) . . ?
B24 B19 B18 55.8(11) . . ?
B15 B19 B18 105.5(15) . . ?
B13 B19 H19A 122.1 . . ?
B20 B19 H19A 122.9 . . ?
B24 B19 H19A 126.5 . . ?
B15 B19 H19A 124.7 . . ?
B18 B19 H19A 123.0 . . ?
B15 B20 B24 105.9(16) . . ?
B15 B20 B14 104.9(16) . . ?
B24 B20 B14 56.2(11) . . ?
B15 B20 B19 61.6(12) . . ?
B24 B20 B19 60.9(11) . . ?
B14 B20 B19 107.2(16) . . ?
B15 B20 B21 60.2(12) . . ?
B24 B20 B21 102.8(15) . . ?
B14 B20 B21 57.4(11) . . ?
B19 B20 B21 110.0(15) . . ?
B15 B20 H20 122.2 . . ?
B24 B20 H20 124.8 . . ?
B14 B20 H20 124.8 . . ?
B19 B20 H20 119.3 . . ?
B21 B20 H20 123.0 . . ?
B14 B21 B22 61.6(13) . . ?
B14 B21 B16 105.0(16) . . ?
B22 B21 B16 56.7(12) . . ?
B14 B21 B15 104.1(16) . . ?
B22 B21 B15 105.0(16) . . ?
B16 B21 B15 59.8(12) . . ?
B14 B21 B20 59.8(11) . . ?
B22 B21 B20 108.2(15) . . ?
B16 B21 B20 105.0(15) . . ?
B15 B21 B20 56.8(11) . . ?
B14 B21 H21A 122.7 . . ?
B22 B21 H21A 122.0 . . ?
B16 B21 H21A 124.1 . . ?
B15 B21 H21A 124.4 . . ?
B20 B21 H21A 122.7 . . ?
B16 B22 B17 63.3(13) . . ?
B16 B22 B21 61.8(13) . . ?
B17 B22 B21 113.7(18) . . ?
B16 B22 B14 106.6(17) . . ?
B17 B22 B14 108.0(16) . . ?
B21 B22 B14 58.6(12) . . ?
B16 B22 B23 109.3(16) . . ?
B17 B22 B23 62.5(12) . . ?
B21 B22 B23 105.5(16) . . ?
B14 B22 B23 55.6(11) . . ?
B16 B22 H22A 120.1 . . ?
B17 B22 H22A 117.5 . . ?
B21 B22 H22A 120.6 . . ?
B14 B22 H22A 125.0 . . ?
B23 B22 H22A 123.4 . . ?
B24 B23 B14 60.8(12) . . ?
B24 B23 B18 61.2(12) . . ?
B14 B23 B18 110.6(17) . . ?
B24 B23 B22 108.9(17) . . ?
B14 B23 B22 62.0(12) . . ?
B18 B23 B22 107.1(16) . . ?
B24 B23 B17 109.5(17) . . ?
B14 B23 B17 108.0(16) . . ?
B18 B23 B17 61.9(12) . . ?
B22 B23 B17 56.0(11) . . ?
B24 B23 H23A 120.4 . . ?
B14 B23 H23A 120.0 . . ?
B18 B23 H23A 120.3 . . ?
B22 B23 H23A 123.0 . . ?
B17 B23 H23A 122.4 . . ?
B23 B24 B14 61.3(12) . . ?
B23 B24 B18 62.5(12) . . ?
B14 B24 B18 112.1(16) . . ?
B23 B24 B20 113.9(16) . . ?
B14 B24 B20 62.8(12) . . ?
B18 B24 B20 113.0(16) . . ?
B23 B24 B19 114.8(16) . . ?
B14 B24 B19 112.1(16) . . ?
B18 B24 B19 63.6(12) . . ?
B20 B24 B19 60.4(12) . . ?
B23 B24 H24 117.8 . . ?
B14 B24 H24 119.7 . . ?
B18 B24 H24 118.4 . . ?
B20 B24 H24 118.8 . . ?
B19 B24 H24 118.5 . . ?
O2A S1A O1A 120.0(18) . . ?
O2A S1A N1A 109.1(15) . . ?
O1A S1A N1A 112.7(16) . . ?
O2A S1A C1A 104.1(15) . . ?
O1A S1A C1A 103.6(15) . . ?
N1A S1A C1A 105.8(14) . . ?
O3A S2A O4A 115.9(19) . . ?
O3A S2A N1A 117.1(17) . . ?
O4A S2A N1A 109.5(16) . . ?
O3A S2A C2A 105.7(15) . . ?
O4A S2A C2A 105.6(15) . . ?
N1A S2A C2A 101.3(13) . . ?
S1A N1A S2A 125.5(15) . . ?
F2A C1A F1A 107(2) . . ?
F2A C1A F3A 115(2) . . ?
F1A C1A F3A 106(2) . . ?
F2A C1A S1A 110.5(18) . . ?
F1A C1A S1A 107.4(17) . . ?
F3A C1A S1A 111.0(17) . . ?
F4A C2A F5A 112(2) . . ?
F4A C2A F6A 105(2) . . ?
F5A C2A F6A 117(2) . . ?
F4A C2A S2A 110.5(17) . . ?
F5A C2A S2A 105.6(17) . . ?
F6A C2A S2A 106.5(17) . . ?
O1G S1G O2G 120(3) . . ?
O1G S1G N1G 112(2) . . ?
O2G S1G N1G 105(2) . . ?
O1G S1G C1G 106(2) . . ?
O2G S1G C1G 105(2) . . ?
N1G S1G C1G 107.7(19) . . ?
O3G S2G O4G 121(2) . . ?
O3G S2G N1G 113(2) . . ?
O4G S2G N1G 110(2) . . ?
O3G S2G C2G 107(2) . . ?
O4G S2G C2G 101.4(19) . . ?
N1G S2G C2G 102.3(17) . . ?
F3G C1G F1G 112(3) . . ?
F3G C1G F2G 107(3) . . ?
F1G C1G F2G 105(3) . . ?
F3G C1G S1G 109(2) . . ?
F1G C1G S1G 112(2) . . ?
F2G C1G S1G 111(2) . . ?
F6G C2G F5G 110(3) . . ?
F6G C2G F4G 109(3) . . ?
F5G C2G F4G 104(3) . . ?
F6G C2G S2G 112(2) . . ?
F5G C2G S2G 114(2) . . ?
F4G C2G S2G 108(2) . . ?
S1G N1G S2G 128(2) . . ?
O2B S1B O1B 123.2(19) . . ?
O2B S1B N1B 106.3(16) . . ?
O1B S1B N1B 110.9(18) . . ?
O2B S1B C1B 104.8(15) . . ?
O1B S1B C1B 100.6(15) . . ?
N1B S1B C1B 110.4(15) . . ?
O3B S2B O4B 131(2) . . ?
O3B S2B N1B 116.2(17) . . ?
O4B S2B N1B 106.2(17) . . ?
O3B S2B C2B 101.5(15) . . ?
O4B S2B C2B 98.1(16) . . ?
N1B S2B C2B 94.6(12) . . ?
S1B N1B S2B 115.7(14) . . ?
F1B C1B F2B 110(2) . . ?
F1B C1B F3B 112(2) . . ?
F2B C1B F3B 112(2) . . ?
F1B C1B S1B 111.6(18) . . ?
F2B C1B S1B 104.4(17) . . ?
F3B C1B S1B 106.4(17) . . ?
F4B C2B F6B 112(2) . . ?
F4B C2B F5B 120(3) . . ?
F6B C2B F5B 108(2) . . ?
F4B C2B S2B 109.4(18) . . ?
F6B C2B S2B 104.6(18) . . ?
F5B C2B S2B 101.3(16) . . ?
O1C S1C O2C 112.4(13) . . ?
O1C S1C N1C 129.8(12) . . ?
O2C S1C N1C 101.0(12) . . ?
O1C S1C C1C 104.7(12) . . ?
O2C S1C C1C 104.5(12) . . ?
N1C S1C C1C 101.7(10) . . ?
S1C N1C S2H 157.9(15) . . ?
S1C N1C S2C 119.4(12) . . ?
F1C C1C F2C 110.8(19) . . ?
F1C C1C F3C 105.7(18) . . ?
F2C C1C F3C 105.8(17) . . ?
F1C C1C S1C 112.2(14) . . ?
F2C C1C S1C 111.7(14) . . ?
F3C C1C S1C 110.2(14) . . ?
O3C S2C O4C 119(2) . . ?
O3C S2C N1C 108.2(16) . . ?
O4C S2C N1C 110.1(16) . . ?
O3C S2C C2C 107.2(17) . . ?
O4C S2C C2C 104.1(16) . . ?
N1C S2C C2C 107.2(12) . . ?
F6C C2C F4C 113(2) . . ?
F6C C2C F5C 107(2) . . ?
F4C C2C F5C 110(2) . . ?
F6C C2C S2C 107.2(18) . . ?
F4C C2C S2C 109.5(18) . . ?
F5C C2C S2C 109.2(18) . . ?
O4H S2H O3H 122(3) . . ?
O4H S2H N1C 110(2) . . ?
O3H S2H N1C 107(2) . . ?
O4H S2H C2H 103(2) . . ?
O3H S2H C2H 105(2) . . ?
N1C S2H C2H 110.4(15) . . ?
F5H C2H F6H 115(3) . . ?
F5H C2H F4H 107(3) . . ?
F6H C2H F4H 107(3) . . ?
F5H C2H S2H 108(2) . . ?
F6H C2H S2H 103(2) . . ?
F4H C2H S2H 118(3) . . ?
O2D S1D O1D 125(2) . . ?
O2D S1D N1D 108(2) . . ?
O1D S1D N1D 111(2) . . ?
O2D S1D C1D 106.8(18) . . ?
O1D S1D C1D 104.7(18) . . ?
N1D S1D C1D 98.5(14) . . ?
O4D S2D O3D 121(2) . . ?
O4D S2D N1D 107.2(18) . . ?
O3D S2D N1D 114(2) . . ?
O4D S2D C2D 104.4(19) . . ?
O3D S2D C2D 99.4(16) . . ?
N1D S2D C2D 109.6(17) . . ?
S2D N1D S1D 118.3(18) . . ?
F2D C1D F1D 117(3) . . ?
F2D C1D F3D 107(3) . . ?
F1D C1D F3D 105(3) . . ?
F2D C1D S1D 111(2) . . ?
F1D C1D S1D 104(2) . . ?
F3D C1D S1D 112(2) . . ?
F5D C2D F6D 113(3) . . ?
F5D C2D F4D 105(3) . . ?
F6D C2D F4D 112(3) . . ?
F5D C2D S2D 109(2) . . ?
F6D C2D S2D 109(2) . . ?
F4D C2D S2D 109(2) . . ?
O1E S1E O2E 120(2) . . ?
O1E S1E N1E 103.5(18) . . ?
O2E S1E N1E 109.6(18) . . ?
O1E S1E C1E 103.7(16) . . ?
O2E S1E C1E 98.6(16) . . ?
N1E S1E C1E 122.2(16) . . ?
O3E S2E O4E 120(2) . . ?
O3E S2E N1E 112.8(18) . . ?
O4E S2E N1E 111(2) . . ?
O3E S2E C2E 104.2(17) . . ?
O4E S2E C2E 100.1(17) . . ?
N1E S2E C2E 107.7(16) . . ?
S2E N1E S1E 152(2) . . ?
F1E C1E F2E 120(3) . . ?
F1E C1E F3E 97(2) . . ?
F2E C1E F3E 107(2) . . ?
F1E C1E S1E 109.0(19) . . ?
F2E C1E S1E 105.8(16) . . ?
F3E C1E S1E 118(2) . . ?
F4E C2E F6E 120(3) . . ?
F4E C2E F5E 117(3) . . ?
F6E C2E F5E 109(3) . . ?
F4E C2E S2E 95.4(19) . . ?
F6E C2E S2E 104(2) . . ?
F5E C2E S2E 109(2) . . ?
O3F S2F O4F 119(3) . . ?
O3F S2F N1F 115(2) . . ?
O4F S2F N1F 97(2) . . ?
O3F S2F C2F 105(2) . . ?
O4F S2F C2F 105(2) . . ?
N1F S2F C2F 114.8(18) . . ?
O2F S1F O1F 121(3) . . ?
O2F S1F N1F 103(2) . . ?
O1F S1F N1F 103(2) . . ?
O2F S1F C1F 112(2) . . ?
O1F S1F C1F 103(2) . . ?
N1F S1F C1F 115.2(18) . . ?
F2F C1F F1F 99(3) . . ?
F2F C1F F3F 109(3) . . ?
F1F C1F F3F 94(2) . . ?
F2F C1F S1F 110(2) . . ?
F1F C1F S1F 125(3) . . ?
F3F C1F S1F 117(2) . . ?
S2F N1F S1F 127(2) . . ?
F4F C2F F6F 104(3) . . ?
F4F C2F F5F 111(3) . . ?
F6F C2F F5F 104(3) . . ?
F4F C2F S2F 112(2) . . ?
F6F C2F S2F 117(3) . . ?
F5F C2F S2F 109(2) . . ?
C1S C2S H2S1 109.5 . . ?
C1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
C1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
N1S C1S C2S 164(5) . . ?
N3S C5S C6S 172(5) . . ?
C5S C6S H6S1 109.5 . . ?
C5S C6S H6S2 109.5 . . ?
H6S1 C6S H6S2 109.5 . . ?
C5S C6S H6S3 109.5 . . ?
H6S1 C6S H6S3 109.5 . . ?
H6S2 C6S H6S3 109.5 . . ?
N2S C3S C4S 171(5) . . ?
N4S C7S C8S 168(4) . . ?
C7S C8S H8S1 109.5 . . ?
C7S C8S H8S2 109.5 . . ?
H8S1 C8S H8S2 109.5 . . ?
C7S C8S H8S3 109.5 . . ?
H8S1 C8S H8S3 109.5 . . ?
H8S2 C8S H8S3 109.5 . . ?
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 N2 2.053(10) . ?
Zn1 N111 2.102(13) . ?
Zn1 N1 2.261(11) . ?
Zn1 N110 2.269(13) . ?
Zn1 N112 2.271(14) . ?
Zn1 N3 2.280(13) . ?
Zn2 N5 2.018(10) . ?
Zn2 N108 2.020(13) . ?
Zn2 N107 2.190(13) . ?
Zn2 N109 2.213(13) . ?
Zn2 N6 2.214(13) . ?
Zn2 N4 2.325(12) . ?
Zn3 N8 1.979(12) . ?
Zn3 N7 2.127(14) . ?
Zn3 N105 2.180(15) . ?
Zn3 N9 2.244(13) . ?
Zn3 N104 2.273(14) . ?
Zn3 N106 2.321(18) . ?
Zn4 N11 2.032(10) . ?
Zn4 N102 2.035(11) . ?
Zn4 N12 2.164(12) . ?
Zn4 N101 2.222(12) . ?
Zn4 N10 2.352(12) . ?
Zn4 N103 2.360(13) . ?
Zn5 N14 2.010(12) . ?
Zn5 N114 2.040(14) . ?
Zn5 N115 2.218(14) . ?
Zn5 N15 2.220(13) . ?
Zn5 N113 2.273(14) . ?
Zn5 N13 2.297(12) . ?
S1 C17 1.773(7) . ?
S1 C101 1.80(2) . ?
S2 C104 1.729(19) . ?
S2 C37 1.768(8) . ?
S3 C107 1.76(2) . ?
S3 C57 1.776(8) . ?
S4 C110 1.77(2) . ?
S4 C77 1.773(8) . ?
S5 C113 1.743(19) . ?
S5 C97 1.767(8) . ?
N1 C1 1.316(8) . ?
N1 C5 1.358(6) . ?
N2 C12 1.326(6) . ?
N2 C6 1.349(6) . ?
N3 C13 1.283(11) . ?
N3 C14 1.407(8) . ?
N4 C21 1.311(8) . ?
N4 C25 1.362(6) . ?
N5 C32 1.327(7) . ?
N5 C26 1.355(6) . ?
N6 C33 1.285(12) . ?
N6 C34 1.425(9) . ?
N7 C41 1.325(8) . ?
N7 C45 1.360(7) . ?
N8 C52 1.321(7) . ?
N8 C46 1.348(6) . ?
N9 C53 1.261(11) . ?
N9 C54 1.393(9) . ?
N10 C61 1.319(8) . ?
N10 C65 1.358(6) . ?
N11 C72 1.331(6) . ?
N11 C66 1.350(6) . ?
N12 C73 1.288(11) . ?
N12 C74 1.412(9) . ?
N13 C81 1.323(8) . ?
N13 C85 1.352(7) . ?
N14 C92 1.325(7) . ?
N14 C86 1.351(6) . ?
N15 C93 1.288(12) . ?
N15 C94 1.419(9) . ?
C1 C2 1.393(11) . ?
C1 H1 0.9500 . ?
C2 C3 1.372(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.406(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.412(7) . ?
C4 C9 1.414(10) . ?
C5 C6 1.434(9) . ?
C6 C7 1.413(6) . ?
C7 C10 1.407(10) . ?
C7 C8 1.422(10) . ?
C8 C9 1.349(12) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C11 1.379(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.467(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(9) . ?
C14 C19 1.394(9) . ?
C15 C16 1.383(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(9) . ?
C18 C19 1.379(9) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C21 C22 1.392(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.358(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.422(10) . ?
C23 H23 0.9500 . ?
C24 C25 1.411(7) . ?
C24 C29 1.432(10) . ?
C25 C26 1.444(9) . ?
C26 C27 1.416(7) . ?
C27 C30 1.412(10) . ?
C27 C28 1.427(10) . ?
C28 C29 1.353(13) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.377(10) . ?
C30 H30 0.9500 . ?
C31 C32 1.389(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.468(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.386(9) . ?
C34 C39 1.393(10) . ?
C35 C36 1.390(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.378(9) . ?
C36 H36 0.9500 . ?
C37 C38 1.380(9) . ?
C38 C39 1.388(9) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C41 C42 1.382(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.363(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.411(10) . ?
C43 H43 0.9500 . ?
C44 C45 1.402(7) . ?
C44 C49 1.413(10) . ?
C45 C46 1.449(9) . ?
C46 C47 1.409(7) . ?
C47 C50 1.421(10) . ?
C47 C48 1.434(10) . ?
C48 C49 1.350(13) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C51 1.375(10) . ?
C50 H50 0.9500 . ?
C51 C52 1.384(9) . ?
C51 H51 0.9500 . ?
C52 C53 1.470(8) . ?
C53 H53 0.9500 . ?
C54 C55 1.387(9) . ?
C54 C59 1.401(9) . ?
C55 C56 1.385(9) . ?
C55 H55 0.9500 . ?
C56 C57 1.394(9) . ?
C56 H56 0.9500 . ?
C57 C58 1.392(9) . ?
C58 C59 1.378(9) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C61 C62 1.394(12) . ?
C61 H61 0.9500 . ?
C62 C63 1.358(11) . ?
C62 H62 0.9500 . ?
C63 C64 1.407(10) . ?
C63 H63 0.9500 . ?
C64 C65 1.407(7) . ?
C64 C69 1.408(10) . ?
C65 C66 1.438(9) . ?
C66 C67 1.415(7) . ?
C67 C70 1.406(10) . ?
C67 C68 1.422(10) . ?
C68 C69 1.350(13) . ?
C68 H68 0.9500 . ?
C69 H69 0.9500 . ?
C70 C71 1.359(10) . ?
C70 H70 0.9500 . ?
C71 C72 1.381(9) . ?
C71 H71 0.9500 . ?
C72 C73 1.462(8) . ?
C73 H73 0.9500 . ?
C74 C75 1.393(9) . ?
C74 C79 1.399(9) . ?
C75 C76 1.378(9) . ?
C75 H75 0.9500 . ?
C76 C77 1.387(9) . ?
C76 H76 0.9500 . ?
C77 C78 1.389(9) . ?
C78 C79 1.378(9) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
C81 C82 1.388(12) . ?
C81 H81 0.9500 . ?
C82 C83 1.357(11) . ?
C82 H82 0.9500 . ?
C83 C84 1.414(10) . ?
C83 H83 0.9500 . ?
C84 C85 1.413(7) . ?
C84 C89 1.415(10) . ?
C85 C86 1.433(9) . ?
C86 C87 1.412(7) . ?
C87 C90 1.419(10) . ?
C87 C88 1.422(10) . ?
C88 C89 1.355(13) . ?
C88 H88 0.9500 . ?
C89 H89 0.9500 . ?
C90 C91 1.356(10) . ?
C90 H90 0.9500 . ?
C91 C92 1.387(9) . ?
C91 H91 0.9500 . ?
C92 C93 1.473(8) . ?
C93 H93 0.9500 . ?
C94 C95 1.390(9) . ?
C94 C99 1.398(9) . ?
C95 C96 1.380(9) . ?
C95 H95 0.9500 . ?
C96 C97 1.379(9) . ?
C96 H96 0.9500 . ?
C97 C98 1.392(9) . ?
C98 C99 1.380(9) . ?
C98 H98 0.9500 . ?
C99 H99 0.9500 . ?
C101 C115 1.40(2) . ?
C101 C102 1.48(2) . ?
C102 C116 1.37(2) . ?
C102 C103 1.44(2) . ?
C103 C104 1.41(2) . ?
C103 H103 0.9500 . ?
C104 C105 1.48(2) . ?
C105 C117 1.38(2) . ?
C105 C106 1.44(2) . ?
C106 C107 1.38(2) . ?
C106 H106 0.9500 . ?
C107 C108 1.50(2) . ?
C108 C118 1.32(2) . ?
C108 C109 1.44(2) . ?
C109 C110 1.40(2) . ?
C109 H109 0.9500 . ?
C110 C111 1.46(2) . ?
C111 C119 1.43(2) . ?
C111 C112 1.44(2) . ?
C112 C113 1.34(2) . ?
C112 H112 0.9500 . ?
C113 C114 1.50(2) . ?
C114 C120 1.35(2) . ?
C114 C115 1.37(2) . ?
C115 H115 0.9500 . ?
C116 C120 1.42(2) . ?
C116 C117 1.45(2) . ?
C117 C118 1.41(2) . ?
C118 C119 1.40(2) . ?
C119 C120 1.42(2) . ?
S6 C304 1.767(19) . ?
S6 C217 1.782(10) . ?
S7 C307 1.759(19) . ?
S7 C237 1.762(11) . ?
S8 C257 1.780(11) . ?
S8 C310 1.788(18) . ?
S9 C313 1.72(2) . ?
S9 C277 1.774(11) . ?
S10 C301 1.76(2) . ?
S10 C297 1.760(11) . ?
N101 C201 1.321(11) . ?
N101 C205 1.359(10) . ?
N102 C212 1.323(10) . ?
N102 C206 1.352(10) . ?
N103 C213 1.290(13) . ?
N103 C214 1.413(11) . ?
N104 C221 1.307(12) . ?
N104 C225 1.382(11) . ?
N105 C232 1.332(11) . ?
N105 C226 1.361(11) . ?
N106 C233 1.297(15) . ?
N106 C234 1.431(12) . ?
N107 C241 1.326(12) . ?
N107 C245 1.360(11) . ?
N108 C252 1.326(11) . ?
N108 C246 1.353(10) . ?
N109 C253 1.264(13) . ?
N109 C254 1.393(11) . ?
N110 C261 1.321(12) . ?
N110 C265 1.359(11) . ?
N111 C272 1.340(11) . ?
N111 C266 1.344(10) . ?
N112 C273 1.286(13) . ?
N112 C274 1.405(11) . ?
N113 C281 1.324(12) . ?
N113 C285 1.352(11) . ?
N114 C292 1.330(11) . ?
N114 C286 1.347(10) . ?
N115 C293 1.286(14) . ?
N115 C294 1.417(11) . ?
C201 C202 1.399(13) . ?
C201 H201 0.9500 . ?
C202 C203 1.382(13) . ?
C202 H202 0.9500 . ?
C203 C204 1.406(13) . ?
C203 H203 0.9500 . ?
C204 C205 1.411(11) . ?
C204 C209 1.413(12) . ?
C205 C206 1.430(11) . ?
C206 C207 1.414(10) . ?
C207 C210 1.402(12) . ?
C207 C208 1.425(12) . ?
C208 C209 1.343(14) . ?
C208 H208 0.9500 . ?
C209 H209 0.9500 . ?
C210 C211 1.380(12) . ?
C210 H210 0.9500 . ?
C211 C212 1.392(12) . ?
C211 H211 0.9500 . ?
C212 C213 1.463(11) . ?
C213 H213 0.9500 . ?
C214 C215 1.388(12) . ?
C214 C219 1.395(12) . ?
C215 C216 1.388(11) . ?
C215 H215 0.9500 . ?
C216 C217 1.387(12) . ?
C216 H216 0.9500 . ?
C217 C218 1.381(12) . ?
C218 C219 1.375(11) . ?
C218 H218 0.9500 . ?
C219 H219 0.9500 . ?
C221 C222 1.398(14) . ?
C221 H221 0.9500 . ?
C222 C223 1.351(14) . ?
C222 H222 0.9500 . ?
C223 C224 1.425(13) . ?
C223 H223 0.9500 . ?
C224 C225 1.419(11) . ?
C224 C229 1.445(13) . ?
C225 C226 1.449(12) . ?
C226 C227 1.430(11) . ?
C227 C230 1.413(13) . ?
C227 C228 1.434(13) . ?
C228 C229 1.355(15) . ?
C228 H228 0.9500 . ?
C229 H229 0.9500 . ?
C230 C231 1.384(13) . ?
C230 H230 0.9500 . ?
C231 C232 1.394(13) . ?
C231 H231 0.9500 . ?
C232 C233 1.467(12) . ?
C233 H233 0.9500 . ?
C234 C235 1.386(13) . ?
C234 C239 1.393(13) . ?
C235 C236 1.395(12) . ?
C235 H235 0.9500 . ?
C236 C237 1.377(12) . ?
C236 H236 0.9500 . ?
C237 C238 1.379(13) . ?
C238 C239 1.388(12) . ?
C238 H238 0.9500 . ?
C239 H239 0.9500 . ?
C241 C242 1.380(14) . ?
C241 H241 0.9500 . ?
C242 C243 1.359(14) . ?
C242 H242 0.9500 . ?
C243 C244 1.407(13) . ?
C243 H243 0.9500 . ?
C244 C245 1.403(11) . ?
C244 C249 1.412(13) . ?
C245 C246 1.449(12) . ?
C246 C247 1.415(11) . ?
C247 C250 1.419(13) . ?
C247 C248 1.435(13) . ?
C248 C249 1.351(15) . ?
C248 H248 0.9500 . ?
C249 H249 0.9500 . ?
C250 C251 1.380(13) . ?
C250 H250 0.9500 . ?
C251 C252 1.387(12) . ?
C251 H251 0.9500 . ?
C252 C253 1.467(12) . ?
C253 H253 0.9500 . ?
C254 C255 1.388(12) . ?
C254 C259 1.403(12) . ?
C255 C256 1.380(12) . ?
C255 H255 0.9500 . ?
C256 C257 1.397(12) . ?
C256 H256 0.9500 . ?
C257 C258 1.391(12) . ?
C258 C259 1.383(12) . ?
C258 H258 0.9500 . ?
C259 H259 0.9500 . ?
C261 C262 1.396(14) . ?
C261 H261 0.9500 . ?
C262 C263 1.354(14) . ?
C262 H262 0.9500 . ?
C263 C264 1.403(13) . ?
C263 H263 0.9500 . ?
C264 C269 1.406(13) . ?
C264 C265 1.407(11) . ?
C265 C266 1.435(12) . ?
C266 C267 1.417(11) . ?
C267 C270 1.398(13) . ?
C267 C268 1.420(13) . ?
C268 C269 1.350(15) . ?
C268 H268 0.9500 . ?
C269 H269 0.9500 . ?
C270 C271 1.354(13) . ?
C270 H270 0.9500 . ?
C271 C272 1.375(12) . ?
C271 H271 0.9500 . ?
C272 C273 1.455(11) . ?
C273 H273 0.9500 . ?
C274 C275 1.399(12) . ?
C274 C279 1.401(12) . ?
C275 C276 1.368(12) . ?
C275 H275 0.9500 . ?
C276 C277 1.389(12) . ?
C276 H276 0.9500 . ?
C277 C278 1.393(12) . ?
C278 C279 1.384(12) . ?
C278 H278 0.9500 . ?
C279 H279 0.9500 . ?
C281 C282 1.395(14) . ?
C281 H281 0.9500 . ?
C282 C283 1.358(14) . ?
C282 H282 0.9500 . ?
C283 C284 1.414(13) . ?
C283 H283 0.9500 . ?
C284 C289 1.416(13) . ?
C284 C285 1.417(11) . ?
C285 C286 1.433(12) . ?
C286 C287 1.418(11) . ?
C287 C290 1.420(13) . ?
C287 C288 1.431(13) . ?
C288 C289 1.353(16) . ?
C288 H288 0.9500 . ?
C289 H289 0.9500 . ?
C290 C291 1.354(13) . ?
C290 H290 0.9500 . ?
C291 C292 1.389(12) . ?
C291 H291 0.9500 . ?
C292 C293 1.466(12) . ?
C293 H293 0.9500 . ?
C294 C295 1.390(12) . ?
C294 C299 1.398(12) . ?
C295 C296 1.376(12) . ?
C295 H295 0.9500 . ?
C296 C297 1.375(12) . ?
C296 H296 0.9500 . ?
C297 C298 1.396(12) . ?
C298 C299 1.380(12) . ?
C298 H298 0.9500 . ?
C299 H299 0.9500 . ?
C301 C315 1.40(2) . ?
C301 C302 1.50(2) . ?
C302 C316 1.36(2) . ?
C302 C303 1.43(2) . ?
C303 C304 1.43(2) . ?
C303 H303 0.9500 . ?
C304 C305 1.46(2) . ?
C305 C317 1.37(2) . ?
C305 C306 1.46(2) . ?
C306 C307 1.382(19) . ?
C306 H306 0.9500 . ?
C307 C308 1.51(2) . ?
C308 C318 1.323(19) . ?
C308 C309 1.45(2) . ?
C309 C310 1.397(19) . ?
C309 H309 0.9500 . ?
C310 C311 1.45(2) . ?
C311 C312 1.43(2) . ?
C311 C319 1.43(2) . ?
C312 C313 1.35(2) . ?
C312 H312 0.9500 . ?
C313 C314 1.51(2) . ?
C314 C320 1.36(2) . ?
C314 C315 1.38(2) . ?
C315 H315 0.9500 . ?
C316 C320 1.43(2) . ?
C316 C317 1.47(2) . ?
C317 C318 1.39(2) . ?
C318 C319 1.41(2) . ?
C319 C320 1.42(2) . ?
B1 B7 1.72(3) . ?
B1 B3 1.73(3) . ?
B1 B4 1.78(3) . ?
B1 B6 1.80(3) . ?
B1 B5 1.86(3) . ?
B1 H1A 1.1200 . ?
B2 B12 1.65(3) . ?
B2 B11 1.65(3) . ?
B2 B9 1.71(3) . ?
B2 B8 1.75(3) . ?
B2 B10 1.76(3) . ?
B2 H2A 1.1200 . ?
B3 B8 1.71(3) . ?
B3 B4 1.75(3) . ?
B3 B9 1.76(3) . ?
B3 B7 1.78(3) . ?
B3 H3A 1.1200 . ?
B4 B10 1.65(3) . ?
B4 B9 1.74(3) . ?
B4 B5 1.75(3) . ?
B4 H4 1.1200 . ?
B5 B10 1.68(3) . ?
B5 B11 1.79(3) . ?
B5 B6 1.79(3) . ?
B5 H5 1.1200 . ?
B6 B12 1.68(3) . ?
B6 B11 1.70(3) . ?
B6 B7 1.82(3) . ?
B6 H6 1.1200 . ?
B7 B8 1.76(3) . ?
B7 B12 1.77(3) . ?
B7 H7 1.1200 . ?
B8 B12 1.73(3) . ?
B8 B9 1.81(3) . ?
B8 H8A 1.1200 . ?
B9 B10 1.73(3) . ?
B9 H9A 1.1200 . ?
B10 B11 1.77(3) . ?
B10 H10A 1.1200 . ?
B11 B12 1.60(3) . ?
B11 H11A 1.1200 . ?
B12 H12 1.1200 . ?
B13 B19 1.72(3) . ?
B13 B15 1.73(3) . ?
B13 B16 1.78(3) . ?
B13 B18 1.80(3) . ?
B13 B17 1.87(3) . ?
B13 H13A 1.1200 . ?
B14 B24 1.64(3) . ?
B14 B23 1.65(3) . ?
B14 B21 1.71(3) . ?
B14 B20 1.76(3) . ?
B14 B22 1.77(3) . ?
B14 H14 1.1200 . ?
B15 B20 1.70(3) . ?
B15 B16 1.75(3) . ?
B15 B21 1.76(3) . ?
B15 B19 1.77(3) . ?
B15 H15A 1.1200 . ?
B16 B22 1.65(3) . ?
B16 B21 1.74(3) . ?
B16 B17 1.75(3) . ?
B16 H16A 1.1200 . ?
B17 B22 1.67(3) . ?
B17 B23 1.79(3) . ?
B17 B18 1.79(3) . ?
B17 H17 1.1200 . ?
B18 B24 1.68(3) . ?
B18 B23 1.70(3) . ?
B18 B19 1.82(3) . ?
B18 H18A 1.1200 . ?
B19 B20 1.76(3) . ?
B19 B24 1.77(3) . ?
B19 H19A 1.1200 . ?
B20 B24 1.73(3) . ?
B20 B21 1.81(3) . ?
B20 H20 1.1200 . ?
B21 B22 1.74(3) . ?
B21 H21A 1.1200 . ?
B22 B23 1.77(3) . ?
B22 H22A 1.1200 . ?
B23 B24 1.59(3) . ?
B23 H23A 1.1200 . ?
B24 H24 1.1200 . ?
S1A O2A 1.435(12) . ?
S1A O1A 1.436(12) . ?
S1A N1A 1.628(12) . ?
S1A C1A 1.836(10) . ?
S2A O3A 1.415(12) . ?
S2A O4A 1.440(12) . ?
S2A N1A 1.631(12) . ?
S2A C2A 1.841(10) . ?
F1A C1A 1.331(19) . ?
F2A C1A 1.327(18) . ?
F3A C1A 1.343(19) . ?
F4A C2A 1.312(19) . ?
F5A C2A 1.315(18) . ?
F6A C2A 1.336(19) . ?
S1G O1G 1.421(13) . ?
S1G O2G 1.434(13) . ?
S1G N1G 1.637(13) . ?
S1G C1G 1.831(10) . ?
S2G O3G 1.419(13) . ?
S2G O4G 1.434(13) . ?
S2G N1G 1.638(13) . ?
S2G C2G 1.837(10) . ?
F4G C2G 1.33(2) . ?
F3G C1G 1.32(2) . ?
F2G C1G 1.32(2) . ?
C1G F1G 1.32(2) . ?
F5G C2G 1.33(2) . ?
C2G F6G 1.31(2) . ?
S1B O2B 1.419(12) . ?
S1B O1B 1.447(12) . ?
S1B N1B 1.598(12) . ?
S1B C1B 1.830(10) . ?
S2B O3B 1.403(12) . ?
S2B O4B 1.424(12) . ?
S2B N1B 1.630(13) . ?
S2B C2B 1.840(10) . ?
F2B C1B 1.322(19) . ?
F4B C2B 1.254(18) . ?
F5B C2B 1.297(19) . ?
F1B C1B 1.316(18) . ?
F6B C2B 1.292(19) . ?
F3B C1B 1.325(19) . ?
S1C O1C 1.414(11) . ?
S1C O2C 1.455(11) . ?
S1C N1C 1.555(11) . ?
S1C C1C 1.823(10) . ?
F1C C1C 1.252(16) . ?
F2C C1C 1.303(17) . ?
F3C C1C 1.331(17) . ?
N1C S2H 1.569(12) . ?
N1C S2C 1.625(12) . ?
S2C O3C 1.420(13) . ?
S2C O4C 1.440(13) . ?
S2C C2C 1.835(10) . ?
F4C C2C 1.321(19) . ?
F5C C2C 1.330(19) . ?
F6C C2C 1.297(19) . ?
S2H O4H 1.432(13) . ?
S2H O3H 1.433(13) . ?
S2H C2H 1.836(10) . ?
F6H C2H 1.32(2) . ?
F5H C2H 1.31(2) . ?
F4H C2H 1.32(2) . ?
S1D O2D 1.431(13) . ?
S1D O1D 1.441(13) . ?
S1D N1D 1.639(13) . ?
S1D C1D 1.838(10) . ?
S2D O4D 1.433(13) . ?
S2D O3D 1.448(13) . ?
S2D N1D 1.614(13) . ?
S2D C2D 1.827(10) . ?
F2D C1D 1.313(19) . ?
F5D C2D 1.287(19) . ?
F6D C2D 1.306(19) . ?
F4D C2D 1.33(2) . ?
F3D C1D 1.35(2) . ?
F1D C1D 1.33(2) . ?
S1E O1E 1.429(13) . ?
S1E O2E 1.440(13) . ?
S1E N1E 1.649(12) . ?
S1E C1E 1.837(10) . ?
S2E O3E 1.427(13) . ?
S2E O4E 1.435(13) . ?
S2E N1E 1.639(12) . ?
S2E C2E 1.836(11) . ?
F2E C1E 1.353(19) . ?
F6E C2E 1.315(19) . ?
F1E C1E 1.310(19) . ?
F4E C2E 1.301(19) . ?
F3E C1E 1.358(19) . ?
F5E C2E 1.316(19) . ?
S2F O3F 1.422(13) . ?
S2F O4F 1.438(13) . ?
S2F N1F 1.651(13) . ?
S2F C2F 1.830(10) . ?
S1F O2F 1.420(13) . ?
S1F O1F 1.448(13) . ?
S1F N1F 1.660(13) . ?
S1F C1F 1.828(10) . ?
F1F C1F 1.33(2) . ?
C1F F2F 1.33(2) . ?
C1F F3F 1.34(2) . ?
F4F C2F 1.31(2) . ?
F5F C2F 1.33(2) . ?
F6F C2F 1.32(2) . ?
C2S C1S 1.474(18) . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 0.9800 . ?
N1S C1S 1.154(17) . ?
C5S N3S 1.147(17) . ?
C5S C6S 1.439(17) . ?
C6S H6S1 0.9800 . ?
C6S H6S2 0.9800 . ?
C6S H6S3 0.9800 . ?
C3S N2S 1.208(17) . ?
C3S C4S 1.395(17) . ?
N4S C7S 1.139(17) . ?
C7S C8S 1.462(17) . ?
C8S H8S1 0.9800 . ?
C8S H8S2 0.9800 . ?
C8S H8S3 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C1 C2 0.8(19) . . . . ?
Zn1 N1 C1 C2 -173.0(13) . . . . ?
N1 C1 C2 C3 -2(2) . . . . ?
C1 C2 C3 C4 1.5(19) . . . . ?
C2 C3 C4 C5 0.1(16) . . . . ?
C2 C3 C4 C9 179.2(15) . . . . ?
C1 N1 C5 C4 0.9(17) . . . . ?
Zn1 N1 C5 C4 175.9(9) . . . . ?
C1 N1 C5 C6 -179.6(14) . . . . ?
Zn1 N1 C5 C6 -4.6(13) . . . . ?
C3 C4 C5 N1 -1.3(14) . . . . ?
C9 C4 C5 N1 179.5(14) . . . . ?
C3 C4 C5 C6 179.2(13) . . . . ?
C9 C4 C5 C6 0.0(13) . . . . ?
C12 N2 C6 C7 0.2(15) . . . . ?
Zn1 N2 C6 C7 -173.8(9) . . . . ?
C12 N2 C6 C5 -177.8(11) . . . . ?
Zn1 N2 C6 C5 8.2(13) . . . . ?
N1 C5 C6 N2 -1.7(15) . . . . ?
C4 C5 C6 N2 177.8(11) . . . . ?
N1 C5 C6 C7 -179.8(12) . . . . ?
C4 C5 C6 C7 -0.2(13) . . . . ?
N2 C6 C7 C10 0.3(13) . . . . ?
C5 C6 C7 C10 178.3(13) . . . . ?
N2 C6 C7 C8 -177.3(13) . . . . ?
C5 C6 C7 C8 0.6(13) . . . . ?
C10 C7 C8 C9 -178.2(15) . . . . ?
C6 C7 C8 C9 -0.7(16) . . . . ?
C7 C8 C9 C4 0.5(19) . . . . ?
C3 C4 C9 C8 -179.3(15) . . . . ?
C5 C4 C9 C8 -0.1(16) . . . . ?
C6 C7 C10 C11 -1.0(16) . . . . ?
C8 C7 C10 C11 176.5(15) . . . . ?
C7 C10 C11 C12 1.1(17) . . . . ?
C6 N2 C12 C11 -0.1(15) . . . . ?
Zn1 N2 C12 C11 173.6(10) . . . . ?
C6 N2 C12 C13 177.4(12) . . . . ?
Zn1 N2 C12 C13 -8.8(13) . . . . ?
C10 C11 C12 N2 -0.5(16) . . . . ?
C10 C11 C12 C13 -177.8(14) . . . . ?
C14 N3 C13 C12 -169.1(12) . . . . ?
Zn1 N3 C13 C12 -0.7(18) . . . . ?
N2 C12 C13 N3 5.7(17) . . . . ?
C11 C12 C13 N3 -176.7(14) . . . . ?
C13 N3 C14 C15 -142.9(15) . . . . ?
Zn1 N3 C14 C15 49.8(15) . . . . ?
C13 N3 C14 C19 42(2) . . . . ?
Zn1 N3 C14 C19 -125.3(11) . . . . ?
C19 C14 C15 C16 1.1(16) . . . . ?
N3 C14 C15 C16 -174.0(13) . . . . ?
C14 C15 C16 C17 -1.4(17) . . . . ?
C15 C16 C17 C18 0.8(15) . . . . ?
C15 C16 C17 S1 -176.7(12) . . . . ?
C101 S1 C17 C18 19.2(13) . . . . ?
C101 S1 C17 C16 -163.5(11) . . . . ?
C16 C17 C18 C19 0.2(16) . . . . ?
S1 C17 C18 C19 177.4(12) . . . . ?
C17 C18 C19 C14 -0.5(17) . . . . ?
C15 C14 C19 C18 -0.2(16) . . . . ?
N3 C14 C19 C18 174.9(14) . . . . ?
C25 N4 C21 C22 1.6(19) . . . . ?
Zn2 N4 C21 C22 -178.9(12) . . . . ?
N4 C21 C22 C23 0(2) . . . . ?
C21 C22 C23 C24 -0.9(18) . . . . ?
C22 C23 C24 C25 0.9(16) . . . . ?
C22 C23 C24 C29 -178.4(15) . . . . ?
C21 N4 C25 C24 -1.6(16) . . . . ?
Zn2 N4 C25 C24 178.8(8) . . . . ?
C21 N4 C25 C26 177.4(13) . . . . ?
Zn2 N4 C25 C26 -2.1(12) . . . . ?
C23 C24 C25 N4 0.4(14) . . . . ?
C29 C24 C25 N4 179.7(14) . . . . ?
C23 C24 C25 C26 -178.6(12) . . . . ?
C29 C24 C25 C26 0.7(13) . . . . ?
C32 N5 C26 C27 0.6(15) . . . . ?
Zn2 N5 C26 C27 -179.6(9) . . . . ?
C32 N5 C26 C25 -178.2(11) . . . . ?
Zn2 N5 C26 C25 1.6(14) . . . . ?
N4 C25 C26 N5 0.6(15) . . . . ?
C24 C25 C26 N5 179.7(11) . . . . ?
N4 C25 C26 C27 -178.2(11) . . . . ?
C24 C25 C26 C27 0.9(12) . . . . ?
N5 C26 C27 C30 -1.3(14) . . . . ?
C25 C26 C27 C30 177.5(13) . . . . ?
N5 C26 C27 C28 178.5(13) . . . . ?
C25 C26 C27 C28 -2.7(13) . . . . ?
C30 C27 C28 C29 -177.3(15) . . . . ?
C26 C27 C28 C29 3.0(16) . . . . ?
C27 C28 C29 C24 -1.4(18) . . . . ?
C25 C24 C29 C28 -0.4(16) . . . . ?
C23 C24 C29 C28 178.8(15) . . . . ?
C26 C27 C30 C31 1.8(16) . . . . ?
C28 C27 C30 C31 -178.0(15) . . . . ?
C27 C30 C31 C32 -1.8(18) . . . . ?
C26 N5 C32 C31 -0.6(15) . . . . ?
Zn2 N5 C32 C31 179.6(11) . . . . ?
C26 N5 C32 C33 175.7(12) . . . . ?
Zn2 N5 C32 C33 -4.0(13) . . . . ?
C30 C31 C32 N5 1.2(17) . . . . ?
C30 C31 C32 C33 -174.6(15) . . . . ?
C34 N6 C33 C32 -173.1(12) . . . . ?
Zn2 N6 C33 C32 -2.0(18) . . . . ?
N5 C32 C33 N6 3.9(18) . . . . ?
C31 C32 C33 N6 -179.8(15) . . . . ?
C33 N6 C34 C35 -153.3(15) . . . . ?
Zn2 N6 C34 C35 37.3(17) . . . . ?
C33 N6 C34 C39 32(2) . . . . ?
Zn2 N6 C34 C39 -137.3(12) . . . . ?
C39 C34 C35 C36 0.6(16) . . . . ?
N6 C34 C35 C36 -174.2(14) . . . . ?
C34 C35 C36 C37 -0.9(17) . . . . ?
C35 C36 C37 C38 0.8(16) . . . . ?
C35 C36 C37 S2 -178.1(12) . . . . ?
C104 S2 C37 C36 -147.1(12) . . . . ?
C104 S2 C37 C38 34.1(14) . . . . ?
C36 C37 C38 C39 -0.3(16) . . . . ?
S2 C37 C38 C39 178.5(13) . . . . ?
C37 C38 C39 C34 0.0(18) . . . . ?
C35 C34 C39 C38 -0.2(16) . . . . ?
N6 C34 C39 C38 174.4(15) . . . . ?
C45 N7 C41 C42 2(2) . . . . ?
Zn3 N7 C41 C42 -162.6(16) . . . . ?
N7 C41 C42 C43 -2(2) . . . . ?
C41 C42 C43 C44 -1(2) . . . . ?
C42 C43 C44 C45 3.1(18) . . . . ?
C42 C43 C44 C49 -175(2) . . . . ?
C41 N7 C45 C44 0.1(18) . . . . ?
Zn3 N7 C45 C44 168.0(11) . . . . ?
C41 N7 C45 C46 176.9(15) . . . . ?
Zn3 N7 C45 C46 -15.2(15) . . . . ?
C43 C44 C45 N7 -2.7(16) . . . . ?
C49 C44 C45 N7 175.7(18) . . . . ?
C43 C44 C45 C46 -179.4(14) . . . . ?
C49 C44 C45 C46 -1.1(17) . . . . ?
C52 N8 C46 C47 0.8(17) . . . . ?
Zn3 N8 C46 C47 -170.1(11) . . . . ?
C52 N8 C46 C45 -177.5(13) . . . . ?
Zn3 N8 C46 C45 11.6(14) . . . . ?
N7 C45 C46 N8 3.5(17) . . . . ?
C44 C45 C46 N8 -179.5(12) . . . . ?
N7 C45 C46 C47 -174.8(13) . . . . ?
C44 C45 C46 C47 2.2(15) . . . . ?
N8 C46 C47 C50 -1.0(15) . . . . ?
C45 C46 C47 C50 177.2(14) . . . . ?
N8 C46 C47 C48 179.9(15) . . . . ?
C45 C46 C47 C48 -1.9(15) . . . . ?
C46 C47 C48 C49 0.6(18) . . . . ?
C50 C47 C48 C49 -178.4(18) . . . . ?
C47 C48 C49 C44 0(2) . . . . ?
C45 C44 C49 C48 0(2) . . . . ?
C43 C44 C49 C48 177.9(17) . . . . ?
C46 C47 C50 C51 0.1(17) . . . . ?
C48 C47 C50 C51 179.1(17) . . . . ?
C47 C50 C51 C52 0.9(19) . . . . ?
C46 N8 C52 C51 0.3(16) . . . . ?
Zn3 N8 C52 C51 170.5(12) . . . . ?
C46 N8 C52 C53 179.2(13) . . . . ?
Zn3 N8 C52 C53 -10.6(15) . . . . ?
C50 C51 C52 N8 -1.2(17) . . . . ?
C50 C51 C52 C53 -179.9(16) . . . . ?
C54 N9 C53 C52 -166.0(13) . . . . ?
Zn3 N9 C53 C52 -5.5(18) . . . . ?
N8 C52 C53 N9 10.2(18) . . . . ?
C51 C52 C53 N9 -171.0(15) . . . . ?
C53 N9 C54 C55 38.6(19) . . . . ?
Zn3 N9 C54 C55 -119.8(12) . . . . ?
C53 N9 C54 C59 -136.6(16) . . . . ?
Zn3 N9 C54 C59 65.0(14) . . . . ?
N9 C54 C55 C56 -178.6(15) . . . . ?
C59 C54 C55 C56 -3.4(16) . . . . ?
C54 C55 C56 C57 4.7(18) . . . . ?
C55 C56 C57 C58 -2.2(16) . . . . ?
C55 C56 C57 S3 175.1(13) . . . . ?
C107 S3 C57 C58 175.6(12) . . . . ?
C107 S3 C57 C56 -1.7(14) . . . . ?
C56 C57 C58 C59 -1.4(16) . . . . ?
S3 C57 C58 C59 -178.7(13) . . . . ?
C57 C58 C59 C54 2.6(18) . . . . ?
C55 C54 C59 C58 -0.2(16) . . . . ?
N9 C54 C59 C58 175.1(15) . . . . ?
C65 N10 C61 C62 0.2(19) . . . . ?
Zn4 N10 C61 C62 -169.9(13) . . . . ?
N10 C61 C62 C63 -2(2) . . . . ?
C61 C62 C63 C64 1(2) . . . . ?
C62 C63 C64 C65 1.7(17) . . . . ?
C62 C63 C64 C69 179.2(17) . . . . ?
C61 N10 C65 C64 2.7(17) . . . . ?
Zn4 N10 C65 C64 174.8(9) . . . . ?
C61 N10 C65 C66 -177.1(14) . . . . ?
Zn4 N10 C65 C66 -5.1(13) . . . . ?
C63 C64 C65 N10 -3.7(15) . . . . ?
C69 C64 C65 N10 178.6(15) . . . . ?
C63 C64 C65 C66 176.2(14) . . . . ?
C69 C64 C65 C66 -1.5(14) . . . . ?
C72 N11 C66 C67 -0.6(15) . . . . ?
Zn4 N11 C66 C67 -176.1(10) . . . . ?
C72 N11 C66 C65 178.6(12) . . . . ?
Zn4 N11 C66 C65 3.1(15) . . . . ?
N10 C65 C66 N11 2.0(16) . . . . ?
C64 C65 C66 N11 -177.9(12) . . . . ?
N10 C65 C66 C67 -178.8(12) . . . . ?
C64 C65 C66 C67 1.3(13) . . . . ?
N11 C66 C67 C70 -0.7(14) . . . . ?
C65 C66 C67 C70 -179.9(14) . . . . ?
N11 C66 C67 C68 178.6(14) . . . . ?
C65 C66 C67 C68 -0.5(13) . . . . ?
C70 C67 C68 C69 179.3(17) . . . . ?
C66 C67 C68 C69 0.0(17) . . . . ?
C67 C68 C69 C64 0(2) . . . . ?
C63 C64 C69 C68 -176.4(17) . . . . ?
C65 C64 C69 C68 1.1(17) . . . . ?
C66 C67 C70 C71 1.0(16) . . . . ?
C68 C67 C70 C71 -178.2(16) . . . . ?
C67 C70 C71 C72 -0.1(18) . . . . ?
C66 N11 C72 C71 1.7(16) . . . . ?
Zn4 N11 C72 C71 177.3(11) . . . . ?
C66 N11 C72 C73 -178.5(13) . . . . ?
Zn4 N11 C72 C73 -2.9(13) . . . . ?
C70 C71 C72 N11 -1.4(17) . . . . ?
C70 C71 C72 C73 178.8(15) . . . . ?
C74 N12 C73 C72 -172.1(12) . . . . ?
Zn4 N12 C73 C72 -4.7(17) . . . . ?
N11 C72 C73 N12 5.1(17) . . . . ?
C71 C72 C73 N12 -175.1(14) . . . . ?
C73 N12 C74 C75 31.4(19) . . . . ?
Zn4 N12 C74 C75 -134.4(10) . . . . ?
C73 N12 C74 C79 -153.0(14) . . . . ?
Zn4 N12 C74 C79 41.3(15) . . . . ?
C79 C74 C75 C76 -0.1(15) . . . . ?
N12 C74 C75 C76 175.5(13) . . . . ?
C74 C75 C76 C77 0.2(17) . . . . ?
C75 C76 C77 C78 -0.1(15) . . . . ?
C75 C76 C77 S4 -179.4(12) . . . . ?
C110 S4 C77 C76 1.5(13) . . . . ?
C110 S4 C77 C78 -177.8(11) . . . . ?
C76 C77 C78 C79 -0.1(15) . . . . ?
S4 C77 C78 C79 179.3(12) . . . . ?
C77 C78 C79 C74 0.1(17) . . . . ?
C75 C74 C79 C78 -0.1(15) . . . . ?
N12 C74 C79 C78 -175.8(13) . . . . ?
C85 N13 C81 C82 0(2) . . . . ?
Zn5 N13 C81 C82 -173.7(13) . . . . ?
N13 C81 C82 C83 1(2) . . . . ?
C81 C82 C83 C84 -0.6(19) . . . . ?
C82 C83 C84 C85 0.0(17) . . . . ?
C82 C83 C84 C89 -177.7(16) . . . . ?
C81 N13 C85 C84 -0.2(17) . . . . ?
Zn5 N13 C85 C84 174.6(9) . . . . ?
C81 N13 C85 C86 176.2(14) . . . . ?
Zn5 N13 C85 C86 -9.0(13) . . . . ?
C83 C84 C85 N13 0.4(14) . . . . ?
C89 C84 C85 N13 178.2(14) . . . . ?
C83 C84 C85 C86 -176.0(13) . . . . ?
C89 C84 C85 C86 1.9(13) . . . . ?
C92 N14 C86 C87 0.2(16) . . . . ?
Zn5 N14 C86 C87 -170.9(10) . . . . ?
C92 N14 C86 C85 -176.8(13) . . . . ?
Zn5 N14 C86 C85 12.1(15) . . . . ?
N13 C85 C86 N14 -0.5(16) . . . . ?
C84 C85 C86 N14 176.1(11) . . . . ?
N13 C85 C86 C87 -177.7(12) . . . . ?
C84 C85 C86 C87 -1.1(13) . . . . ?
N14 C86 C87 C90 -0.7(14) . . . . ?
C85 C86 C87 C90 176.2(14) . . . . ?
N14 C86 C87 C88 -177.7(14) . . . . ?
C85 C86 C87 C88 -0.8(14) . . . . ?
C86 C87 C88 C89 1.8(16) . . . . ?
C90 C87 C88 C89 -174.9(17) . . . . ?
C87 C88 C89 C84 -1.0(19) . . . . ?
C85 C84 C89 C88 -0.9(17) . . . . ?
C83 C84 C89 C88 176.7(16) . . . . ?
C86 C87 C90 C91 0.1(17) . . . . ?
C88 C87 C90 C91 176.9(16) . . . . ?
C87 C90 C91 C92 0.9(19) . . . . ?
C86 N14 C92 C91 0.9(16) . . . . ?
Zn5 N14 C92 C91 171.8(12) . . . . ?
C86 N14 C92 C93 -178.3(13) . . . . ?
Zn5 N14 C92 C93 -7.4(15) . . . . ?
C90 C91 C92 N14 -1.5(17) . . . . ?
C90 C91 C92 C93 177.6(16) . . . . ?
C94 N15 C93 C92 -175.6(12) . . . . ?
Zn5 N15 C93 C92 -1.6(19) . . . . ?
N14 C92 C93 N15 5.6(19) . . . . ?
C91 C92 C93 N15 -173.5(15) . . . . ?
C93 N15 C94 C95 -149.2(16) . . . . ?
Zn5 N15 C94 C95 37.8(16) . . . . ?
C93 N15 C94 C99 36(2) . . . . ?
Zn5 N15 C94 C99 -137.4(11) . . . . ?
C99 C94 C95 C96 -0.2(16) . . . . ?
N15 C94 C95 C96 -175.5(14) . . . . ?
C94 C95 C96 C97 1.0(17) . . . . ?
C95 C96 C97 C98 0.4(15) . . . . ?
C95 C96 C97 S5 -177.6(11) . . . . ?
C113 S5 C97 C96 -158.3(11) . . . . ?
C113 S5 C97 C98 23.9(14) . . . . ?
C96 C97 C98 C99 -2.5(15) . . . . ?
S5 C97 C98 C99 175.3(12) . . . . ?
C97 C98 C99 C94 3.2(17) . . . . ?
C95 C94 C99 C98 -1.9(15) . . . . ?
N15 C94 C99 C98 173.3(14) . . . . ?
C17 S1 C101 C115 -134.5(17) . . . . ?
C17 S1 C101 C102 62.6(18) . . . . ?
C115 C101 C102 C116 14(3) . . . . ?
S1 C101 C102 C116 175.9(16) . . . . ?
C115 C101 C102 C103 -160(2) . . . . ?
S1 C101 C102 C103 1(3) . . . . ?
C116 C102 C103 C104 -15(3) . . . . ?
C101 C102 C103 C104 159(2) . . . . ?
C102 C103 C104 C105 4(3) . . . . ?
C102 C103 C104 S2 -169.6(16) . . . . ?
C37 S2 C104 C103 -142.4(16) . . . . ?
C37 S2 C104 C105 45(2) . . . . ?
C103 C104 C105 C117 9(3) . . . . ?
S2 C104 C105 C117 -178.6(17) . . . . ?
C103 C104 C105 C106 -156(2) . . . . ?
S2 C104 C105 C106 17(3) . . . . ?
C117 C105 C106 C107 -7(3) . . . . ?
C104 C105 C106 C107 158(2) . . . . ?
C105 C106 C107 C108 -4(3) . . . . ?
C105 C106 C107 S3 -170.4(16) . . . . ?
C57 S3 C107 C106 -125.7(18) . . . . ?
C57 S3 C107 C108 68.2(19) . . . . ?
C106 C107 C108 C118 16(3) . . . . ?
S3 C107 C108 C118 -178.2(18) . . . . ?
C106 C107 C108 C109 -156(2) . . . . ?
S3 C107 C108 C109 10(3) . . . . ?
C118 C108 C109 C110 -12(3) . . . . ?
C107 C108 C109 C110 159(2) . . . . ?
C108 C109 C110 C111 0(3) . . . . ?
C108 C109 C110 S4 -169.6(17) . . . . ?
C77 S4 C110 C109 -123.8(18) . . . . ?
C77 S4 C110 C111 67.0(19) . . . . ?
C109 C110 C111 C119 13(3) . . . . ?
S4 C110 C111 C119 -178.5(16) . . . . ?
C109 C110 C111 C112 -158(2) . . . . ?
S4 C110 C111 C112 11(3) . . . . ?
C119 C111 C112 C113 -16(3) . . . . ?
C110 C111 C112 C113 155(2) . . . . ?
C111 C112 C113 C114 4(4) . . . . ?
C111 C112 C113 S5 -169.0(17) . . . . ?
C97 S5 C113 C112 -132.5(18) . . . . ?
C97 S5 C113 C114 55(2) . . . . ?
C112 C113 C114 C120 6(3) . . . . ?
S5 C113 C114 C120 178.4(17) . . . . ?
C112 C113 C114 C115 -160(2) . . . . ?
S5 C113 C114 C115 13(3) . . . . ?
C120 C114 C115 C101 -9(3) . . . . ?
C113 C114 C115 C101 157(2) . . . . ?
C102 C101 C115 C114 -2(3) . . . . ?
S1 C101 C115 C114 -164.2(18) . . . . ?
C103 C102 C116 C120 160.1(19) . . . . ?
C101 C102 C116 C120 -15(3) . . . . ?
C103 C102 C116 C117 14(3) . . . . ?
C101 C102 C116 C117 -160.9(19) . . . . ?
C106 C105 C117 C118 8(3) . . . . ?
C104 C105 C117 C118 -159(2) . . . . ?
C106 C105 C117 C116 157.2(19) . . . . ?
C104 C105 C117 C116 -9(3) . . . . ?
C102 C116 C117 C105 -2(3) . . . . ?
C120 C116 C117 C105 -152(2) . . . . ?
C102 C116 C117 C118 152(2) . . . . ?
C120 C116 C117 C118 3(2) . . . . ?
C109 C108 C118 C119 13(3) . . . . ?
C107 C108 C118 C119 -159(2) . . . . ?
C109 C108 C118 C117 157(2) . . . . ?
C107 C108 C118 C117 -15(3) . . . . ?
C105 C117 C118 C108 4(4) . . . . ?
C116 C117 C118 C108 -149(2) . . . . ?
C105 C117 C118 C119 153(2) . . . . ?
C116 C117 C118 C119 1(3) . . . . ?
C108 C118 C119 C120 144(2) . . . . ?
C117 C118 C119 C120 -4(3) . . . . ?
C108 C118 C119 C111 0(4) . . . . ?
C117 C118 C119 C111 -148(2) . . . . ?
C112 C111 C119 C118 160(2) . . . . ?
C110 C111 C119 C118 -13(3) . . . . ?
C112 C111 C119 C120 18(3) . . . . ?
C110 C111 C119 C120 -153.7(19) . . . . ?
C115 C114 C120 C116 8(3) . . . . ?
C113 C114 C120 C116 -160(2) . . . . ?
C115 C114 C120 C119 164(2) . . . . ?
C113 C114 C120 C119 -3(3) . . . . ?
C102 C116 C120 C114 5(3) . . . . ?
C117 C116 C120 C114 156(2) . . . . ?
C102 C116 C120 C119 -155(2) . . . . ?
C117 C116 C120 C119 -5(2) . . . . ?
C118 C119 C120 C114 -155(2) . . . . ?
C111 C119 C120 C114 -10(3) . . . . ?
C118 C119 C120 C116 6(3) . . . . ?
C111 C119 C120 C116 151(2) . . . . ?
C205 N101 C201 C202 1(3) . . . . ?
Zn4 N101 C201 C202 -166.6(14) . . . . ?
N101 C201 C202 C203 0(3) . . . . ?
C201 C202 C203 C204 -1(3) . . . . ?
C202 C203 C204 C205 1(3) . . . . ?
C202 C203 C204 C209 -177(2) . . . . ?
C201 N101 C205 C204 -1(3) . . . . ?
Zn4 N101 C205 C204 169.4(16) . . . . ?
C201 N101 C205 C206 179.1(18) . . . . ?
Zn4 N101 C205 C206 -11(2) . . . . ?
C203 C204 C205 N101 0(3) . . . . ?
C209 C204 C205 N101 178.0(19) . . . . ?
C203 C204 C205 C206 179.8(19) . . . . ?
C209 C204 C205 C206 -2(3) . . . . ?
C212 N102 C206 C207 2(3) . . . . ?
Zn4 N102 C206 C207 -171.3(15) . . . . ?
C212 N102 C206 C205 -177.2(18) . . . . ?
Zn4 N102 C206 C205 9(2) . . . . ?
N101 C205 C206 N102 2(3) . . . . ?
C204 C205 C206 N102 -178.1(17) . . . . ?
N101 C205 C206 C207 -177.5(18) . . . . ?
C204 C205 C206 C207 2(3) . . . . ?
N102 C206 C207 C210 1(3) . . . . ?
C205 C206 C207 C210 -179(2) . . . . ?
N102 C206 C207 C208 176.2(19) . . . . ?
C205 C206 C207 C208 -4(3) . . . . ?
C210 C207 C208 C209 -180(2) . . . . ?
C206 C207 C208 C209 6(3) . . . . ?
C207 C208 C209 C204 -6(4) . . . . ?
C203 C204 C209 C208 -178(2) . . . . ?
C205 C204 C209 C208 4(3) . . . . ?
C206 C207 C210 C211 -6(3) . . . . ?
C208 C207 C210 C211 180(2) . . . . ?
C207 C210 C211 C212 7(4) . . . . ?
C206 N102 C212 C211 -1(3) . . . . ?
Zn4 N102 C212 C211 171.6(16) . . . . ?
C206 N102 C212 C213 178.2(17) . . . . ?
Zn4 N102 C212 C213 -9(3) . . . . ?
C210 C211 C212 N102 -3(3) . . . . ?
C210 C211 C212 C213 177(2) . . . . ?
C214 N103 C213 C212 -169.2(16) . . . . ?
Zn4 N103 C213 C212 -6(2) . . . . ?
N102 C212 C213 N103 9(3) . . . . ?
C211 C212 C213 N103 -171(2) . . . . ?
C213 N103 C214 C215 -146.8(18) . . . . ?
Zn4 N103 C214 C215 53(2) . . . . ?
C213 N103 C214 C219 35(3) . . . . ?
Zn4 N103 C214 C219 -125.7(14) . . . . ?
C219 C214 C215 C216 3(3) . . . . ?
N103 C214 C215 C216 -175.5(15) . . . . ?
C214 C215 C216 C217 -3(3) . . . . ?
C215 C216 C217 C218 3(3) . . . . ?
C215 C216 C217 S6 -173.5(13) . . . . ?
C304 S6 C217 C218 31.6(19) . . . . ?
C304 S6 C217 C216 -152.1(15) . . . . ?
C216 C217 C218 C219 -3(3) . . . . ?
S6 C217 C218 C219 173.1(13) . . . . ?
C217 C218 C219 C214 3(3) . . . . ?
C215 C214 C219 C218 -3(3) . . . . ?
N103 C214 C219 C218 175.3(16) . . . . ?
C225 N104 C221 C222 22(3) . . . . ?
Zn3 N104 C221 C222 -179.7(16) . . . . ?
N104 C221 C222 C223 -17(4) . . . . ?
C221 C222 C223 C224 2(5) . . . . ?
C222 C223 C224 C225 4(5) . . . . ?
C222 C223 C224 C229 -178(3) . . . . ?
C221 N104 C225 C224 -15(4) . . . . ?
Zn3 N104 C225 C224 -176(3) . . . . ?
C221 N104 C225 C226 171(2) . . . . ?
Zn3 N104 C225 C226 9(3) . . . . ?
C223 C224 C225 N104 3(5) . . . . ?
C229 C224 C225 N104 -176(3) . . . . ?
C223 C224 C225 C226 177(3) . . . . ?
C229 C224 C225 C226 -2(5) . . . . ?
C232 N105 C226 C227 3(5) . . . . ?
Zn3 N105 C226 C227 -179(2) . . . . ?
C232 N105 C226 C225 -175(3) . . . . ?
Zn3 N105 C226 C225 3(4) . . . . ?
N104 C225 C226 N105 -8(4) . . . . ?
C224 C225 C226 N105 177(3) . . . . ?
N104 C225 C226 C227 174(2) . . . . ?
C224 C225 C226 C227 -1(4) . . . . ?
N105 C226 C227 C230 10(4) . . . . ?
C225 C226 C227 C230 -172(3) . . . . ?
N105 C226 C227 C228 178(3) . . . . ?
C225 C226 C227 C228 -4(4) . . . . ?
C230 C227 C228 C229 179(3) . . . . ?
C226 C227 C228 C229 12(4) . . . . ?
C227 C228 C229 C224 -15(4) . . . . ?
C225 C224 C229 C228 10(5) . . . . ?
C223 C224 C229 C228 -168(3) . . . . ?
C226 C227 C230 C231 -17(4) . . . . ?
C228 C227 C230 C231 176(2) . . . . ?
C227 C230 C231 C232 11(5) . . . . ?
C226 N105 C232 C231 -10(5) . . . . ?
Zn3 N105 C232 C231 172(2) . . . . ?
C226 N105 C232 C233 179(3) . . . . ?
Zn3 N105 C232 C233 2(4) . . . . ?
C230 C231 C232 N105 3(6) . . . . ?
C230 C231 C232 C233 172(3) . . . . ?
C234 N106 C233 C232 -165(3) . . . . ?
Zn3 N106 C233 C232 3(4) . . . . ?
N105 C232 C233 N106 -3(5) . . . . ?
C231 C232 C233 N106 -173(3) . . . . ?
C233 N106 C234 C235 -165(3) . . . . ?
Zn3 N106 C234 C235 28(4) . . . . ?
C233 N106 C234 C239 26(4) . . . . ?
Zn3 N106 C234 C239 -141(2) . . . . ?
C239 C234 C235 C236 -3(4) . . . . ?
N106 C234 C235 C236 -172(2) . . . . ?
C234 C235 C236 C237 1(3) . . . . ?
C235 C236 C237 C238 2(3) . . . . ?
C235 C236 C237 S7 -176.8(15) . . . . ?
C307 S7 C237 C236 -151.4(17) . . . . ?
C307 S7 C237 C238 30(2) . . . . ?
C236 C237 C238 C239 -4(4) . . . . ?
S7 C237 C238 C239 175(2) . . . . ?
C237 C238 C239 C234 2(4) . . . . ?
C235 C234 C239 C238 1(4) . . . . ?
N106 C234 C239 C238 171(2) . . . . ?
C245 N107 C241 C242 7(4) . . . . ?
Zn2 N107 C241 C242 -173.4(18) . . . . ?
N107 C241 C242 C243 -3(4) . . . . ?
C241 C242 C243 C244 0(5) . . . . ?
C242 C243 C244 C245 -2(4) . . . . ?
C242 C243 C244 C249 169(3) . . . . ?
C241 N107 C245 C244 -10(4) . . . . ?
Zn2 N107 C245 C244 171(2) . . . . ?
C241 N107 C245 C246 -179(2) . . . . ?
Zn2 N107 C245 C246 2(3) . . . . ?
C243 C244 C245 N107 7(4) . . . . ?
C249 C244 C245 N107 -165(3) . . . . ?
C243 C244 C245 C246 176(3) . . . . ?
C249 C244 C245 C246 3(4) . . . . ?
C252 N108 C246 C247 13(4) . . . . ?
Zn2 N108 C246 C247 -159(2) . . . . ?
C252 N108 C246 C245 -174(2) . . . . ?
Zn2 N108 C246 C245 14(3) . . . . ?
N107 C245 C246 N108 -10(4) . . . . ?
C244 C245 C246 N108 -179(2) . . . . ?
N107 C245 C246 C247 163(3) . . . . ?
C244 C245 C246 C247 -6(4) . . . . ?
N108 C246 C247 C250 -9(5) . . . . ?
C245 C246 C247 C250 179(3) . . . . ?
N108 C246 C247 C248 179(3) . . . . ?
C245 C246 C247 C248 6(5) . . . . ?
C246 C247 C248 C249 -4(6) . . . . ?
C250 C247 C248 C249 -175(4) . . . . ?
C247 C248 C249 C244 2(6) . . . . ?
C245 C244 C249 C248 -1(5) . . . . ?
C243 C244 C249 C248 -173(3) . . . . ?
C246 C247 C250 C251 -4(5) . . . . ?
C248 C247 C250 C251 167(4) . . . . ?
C247 C250 C251 C252 13(5) . . . . ?
C246 N108 C252 C251 -3(4) . . . . ?
Zn2 N108 C252 C251 169(2) . . . . ?
C246 N108 C252 C253 178(2) . . . . ?
Zn2 N108 C252 C253 -11(3) . . . . ?
C250 C251 C252 N108 -10(5) . . . . ?
C250 C251 C252 C253 170(3) . . . . ?
C254 N109 C253 C252 -169.7(19) . . . . ?
Zn2 N109 C253 C252 -3(3) . . . . ?
N108 C252 C253 N109 8(3) . . . . ?
C251 C252 C253 N109 -171(3) . . . . ?
C253 N109 C254 C255 -134(2) . . . . ?
Zn2 N109 C254 C255 61(2) . . . . ?
C253 N109 C254 C259 52(3) . . . . ?
Zn2 N109 C254 C259 -113.6(18) . . . . ?
N109 C254 C255 C256 -178.8(18) . . . . ?
C259 C254 C255 C256 -5(3) . . . . ?
C254 C255 C256 C257 3(3) . . . . ?
C255 C256 C257 C258 3(3) . . . . ?
C255 C256 C257 S8 -179.2(16) . . . . ?
C310 S8 C257 C258 -8(2) . . . . ?
C310 S8 C257 C256 174.3(17) . . . . ?
C256 C257 C258 C259 -7(4) . . . . ?
S8 C257 C258 C259 175.3(19) . . . . ?
C257 C258 C259 C254 5(4) . . . . ?
C255 C254 C259 C258 1(3) . . . . ?
N109 C254 C259 C258 175(2) . . . . ?
C265 N110 C261 C262 2.5(19) . . . . ?
Zn1 N110 C261 C262 -177.2(16) . . . . ?
N110 C261 C262 C263 0(2) . . . . ?
C261 C262 C263 C264 1(4) . . . . ?
C262 C263 C264 C269 -173(3) . . . . ?
C262 C263 C264 C265 -5(4) . . . . ?
C261 N110 C265 C264 -6(3) . . . . ?
Zn1 N110 C265 C264 173.3(19) . . . . ?
C261 N110 C265 C266 176.3(18) . . . . ?
Zn1 N110 C265 C266 -4(2) . . . . ?
C263 C264 C265 N110 7(4) . . . . ?
C269 C264 C265 N110 176(2) . . . . ?
C263 C264 C265 C266 -175(2) . . . . ?
C269 C264 C265 C266 -7(4) . . . . ?
C272 N111 C266 C267 1(3) . . . . ?
Zn1 N111 C266 C267 -177.8(15) . . . . ?
C272 N111 C266 C265 179.9(18) . . . . ?
Zn1 N111 C266 C265 1(2) . . . . ?
N110 C265 C266 N111 2(3) . . . . ?
C264 C265 C266 N111 -175(2) . . . . ?
N110 C265 C266 C267 -179.2(19) . . . . ?
C264 C265 C266 C267 3(3) . . . . ?
N111 C266 C267 C270 -1(3) . . . . ?
C265 C266 C267 C270 -179(2) . . . . ?
N111 C266 C267 C268 179(2) . . . . ?
C265 C266 C267 C268 0(3) . . . . ?
C270 C267 C268 C269 179(3) . . . . ?
C266 C267 C268 C269 -1(4) . . . . ?
C267 C268 C269 C264 -2(5) . . . . ?
C263 C264 C269 C268 174(3) . . . . ?
C265 C264 C269 C268 6(4) . . . . ?
C266 C267 C270 C271 -1(4) . . . . ?
C268 C267 C270 C271 180(3) . . . . ?
C267 C270 C271 C272 1(4) . . . . ?
C266 N111 C272 C271 -1(3) . . . . ?
Zn1 N111 C272 C271 178.4(16) . . . . ?
C266 N111 C272 C273 173.4(17) . . . . ?
Zn1 N111 C272 C273 -8(2) . . . . ?
C270 C271 C272 N111 -1(4) . . . . ?
C270 C271 C272 C273 -174(2) . . . . ?
C274 N112 C273 C272 -169.5(17) . . . . ?
Zn1 N112 C273 C272 -3(2) . . . . ?
N111 C272 C273 N112 7(3) . . . . ?
C271 C272 C273 N112 -179(2) . . . . ?
C273 N112 C274 C275 -151(2) . . . . ?
Zn1 N112 C274 C275 44(2) . . . . ?
C273 N112 C274 C279 35(3) . . . . ?
Zn1 N112 C274 C279 -130.4(16) . . . . ?
C279 C274 C275 C276 -6(3) . . . . ?
N112 C274 C275 C276 178.8(19) . . . . ?
C274 C275 C276 C277 8(3) . . . . ?
C275 C276 C277 C278 -3(4) . . . . ?
C275 C276 C277 S9 179.8(18) . . . . ?
C313 S9 C277 C276 -174.3(19) . . . . ?
C313 S9 C277 C278 9(2) . . . . ?
C276 C277 C278 C279 -3(4) . . . . ?
S9 C277 C278 C279 173.8(18) . . . . ?
C277 C278 C279 C274 5(3) . . . . ?
C275 C274 C279 C278 0(3) . . . . ?
N112 C274 C279 C278 174.9(19) . . . . ?
C285 N113 C281 C282 1(4) . . . . ?
Zn5 N113 C281 C282 -178.2(18) . . . . ?
N113 C281 C282 C283 6(4) . . . . ?
C281 C282 C283 C284 -9(5) . . . . ?
C282 C283 C284 C289 -179(3) . . . . ?
C282 C283 C284 C285 4(5) . . . . ?
C281 N113 C285 C284 -6(4) . . . . ?
Zn5 N113 C285 C284 174(2) . . . . ?
C281 N113 C285 C286 -178(2) . . . . ?
Zn5 N113 C285 C286 1(3) . . . . ?
C283 C284 C285 N113 3(4) . . . . ?
C289 C284 C285 N113 -174(3) . . . . ?
C283 C284 C285 C286 176(3) . . . . ?
C289 C284 C285 C286 -2(4) . . . . ?
C292 N114 C286 C287 0(4) . . . . ?
Zn5 N114 C286 C287 -175.2(18) . . . . ?
C292 N114 C286 C285 -174(2) . . . . ?
Zn5 N114 C286 C285 10(3) . . . . ?
N113 C285 C286 N114 -7(4) . . . . ?
C284 C285 C286 N114 180(2) . . . . ?
N113 C285 C286 C287 178(2) . . . . ?
C284 C285 C286 C287 5(4) . . . . ?
N114 C286 C287 C290 -1(4) . . . . ?
C285 C286 C287 C290 173(2) . . . . ?
N114 C286 C287 C288 -179(2) . . . . ?
C285 C286 C287 C288 -5(4) . . . . ?
C286 C287 C288 C289 1(4) . . . . ?
C290 C287 C288 C289 -177(3) . . . . ?
C287 C288 C289 C284 2(5) . . . . ?
C283 C284 C289 C288 -179(3) . . . . ?
C285 C284 C289 C288 -2(5) . . . . ?
C286 C287 C290 C291 4(4) . . . . ?
C288 C287 C290 C291 -178(2) . . . . ?
C287 C290 C291 C292 -5(4) . . . . ?
C286 N114 C292 C291 -2(4) . . . . ?
Zn5 N114 C292 C291 173.2(19) . . . . ?
C286 N114 C292 C293 177.1(19) . . . . ?
Zn5 N114 C292 C293 -8(3) . . . . ?
C290 C291 C292 N114 5(4) . . . . ?
C290 C291 C292 C293 -174(2) . . . . ?
C294 N115 C293 C292 -166.2(18) . . . . ?
Zn5 N115 C293 C292 -1(3) . . . . ?
N114 C292 C293 N115 5(3) . . . . ?
C291 C292 C293 N115 -175(2) . . . . ?
C293 N115 C294 C295 -144(2) . . . . ?
Zn5 N115 C294 C295 53(2) . . . . ?
C293 N115 C294 C299 36(3) . . . . ?
Zn5 N115 C294 C299 -127.7(17) . . . . ?
C299 C294 C295 C296 2(3) . . . . ?
N115 C294 C295 C296 -178(2) . . . . ?
C294 C295 C296 C297 2(4) . . . . ?
C295 C296 C297 C298 -3(4) . . . . ?
C295 C296 C297 S10 -176.6(17) . . . . ?
C301 S10 C297 C296 -170.5(18) . . . . ?
C301 S10 C297 C298 16(2) . . . . ?
C296 C297 C298 C299 0(3) . . . . ?
S10 C297 C298 C299 173.7(16) . . . . ?
C297 C298 C299 C294 3(3) . . . . ?
C295 C294 C299 C298 -4(3) . . . . ?
N115 C294 C299 C298 176.0(18) . . . . ?
C297 S10 C301 C315 -126(2) . . . . ?
C297 S10 C301 C302 62(2) . . . . ?
C315 C301 C302 C316 6(3) . . . . ?
S10 C301 C302 C316 177.8(17) . . . . ?
C315 C301 C302 C303 -163(2) . . . . ?
S10 C301 C302 C303 9(3) . . . . ?
C316 C302 C303 C304 -14(3) . . . . ?
C301 C302 C303 C304 155(2) . . . . ?
C302 C303 C304 C305 5(3) . . . . ?
C302 C303 C304 S6 -168.4(16) . . . . ?
C217 S6 C304 C303 -138.1(16) . . . . ?
C217 S6 C304 C305 48.5(18) . . . . ?
C303 C304 C305 C317 6(3) . . . . ?
S6 C304 C305 C317 178.6(15) . . . . ?
C303 C304 C305 C306 -155(2) . . . . ?
S6 C304 C305 C306 18(3) . . . . ?
C317 C305 C306 C307 -5(3) . . . . ?
C304 C305 C306 C307 154.9(19) . . . . ?
C305 C306 C307 C308 -1(3) . . . . ?
C305 C306 C307 S7 -173.4(15) . . . . ?
C237 S7 C307 C306 -140.5(16) . . . . ?
C237 S7 C307 C308 47.8(19) . . . . ?
C306 C307 C308 C318 8(3) . . . . ?
S7 C307 C308 C318 179.5(17) . . . . ?
C306 C307 C308 C309 -155(2) . . . . ?
S7 C307 C308 C309 16(3) . . . . ?
C318 C308 C309 C310 -7(3) . . . . ?
C307 C308 C309 C310 157(2) . . . . ?
C308 C309 C310 C311 -6(3) . . . . ?
C308 C309 C310 S8 -172.5(16) . . . . ?
C257 S8 C310 C309 -122.5(18) . . . . ?
C257 S8 C310 C311 71(2) . . . . ?
C309 C310 C311 C312 -158(3) . . . . ?
S8 C310 C311 C312 8(4) . . . . ?
C309 C310 C311 C319 17(3) . . . . ?
S8 C310 C311 C319 -176.7(17) . . . . ?
C319 C311 C312 C313 -13(4) . . . . ?
C310 C311 C312 C313 163(3) . . . . ?
C311 C312 C313 C314 -3(4) . . . . ?
C311 C312 C313 S9 -165(2) . . . . ?
C277 S9 C313 C312 -135(2) . . . . ?
C277 S9 C313 C314 64(2) . . . . ?
C312 C313 C314 C320 16(4) . . . . ?
S9 C313 C314 C320 177.2(19) . . . . ?
C312 C313 C314 C315 -156(3) . . . . ?
S9 C313 C314 C315 5(4) . . . . ?
C320 C314 C315 C301 -16(4) . . . . ?
C313 C314 C315 C301 156(2) . . . . ?
C302 C301 C315 C314 6(4) . . . . ?
S10 C301 C315 C314 -166(2) . . . . ?
C303 C302 C316 C320 163(2) . . . . ?
C301 C302 C316 C320 -8(3) . . . . ?
C303 C302 C316 C317 12(3) . . . . ?
C301 C302 C316 C317 -158.1(19) . . . . ?
C306 C305 C317 C318 6(3) . . . . ?
C304 C305 C317 C318 -156(2) . . . . ?
C306 C305 C317 C316 155.4(18) . . . . ?
C304 C305 C317 C316 -7(3) . . . . ?
C302 C316 C317 C305 -2(3) . . . . ?
C320 C316 C317 C305 -155.7(19) . . . . ?
C302 C316 C317 C318 152(2) . . . . ?
C320 C316 C317 C318 -2(2) . . . . ?
C309 C308 C318 C317 157.5(19) . . . . ?
C307 C308 C318 C317 -8(3) . . . . ?
C309 C308 C318 C319 8(3) . . . . ?
C307 C308 C318 C319 -157(2) . . . . ?
C305 C317 C318 C308 0(3) . . . . ?
C316 C317 C318 C308 -152(2) . . . . ?
C305 C317 C318 C319 155(2) . . . . ?
C316 C317 C318 C319 2(2) . . . . ?
C308 C318 C319 C320 151(2) . . . . ?
C317 C318 C319 C320 -2(3) . . . . ?
C308 C318 C319 C311 4(4) . . . . ?
C317 C318 C319 C311 -148(2) . . . . ?
C312 C311 C319 C318 160(2) . . . . ?
C310 C311 C319 C318 -17(3) . . . . ?
C312 C311 C319 C320 16(3) . . . . ?
C310 C311 C319 C320 -161(2) . . . . ?
C315 C314 C320 C319 160(2) . . . . ?
C313 C314 C320 C319 -13(4) . . . . ?
C315 C314 C320 C316 14(4) . . . . ?
C313 C314 C320 C316 -159(2) . . . . ?
C318 C319 C320 C314 -150(2) . . . . ?
C311 C319 C320 C314 -3(4) . . . . ?
C318 C319 C320 C316 1(3) . . . . ?
C311 C319 C320 C316 148(2) . . . . ?
C302 C316 C320 C314 -2(4) . . . . ?
C317 C316 C320 C314 152(2) . . . . ?
C302 C316 C320 C319 -153(2) . . . . ?
C317 C316 C320 C319 1(2) . . . . ?
B7 B1 B3 B8 36.3(15) . . . . ?
B4 B1 B3 B8 -102.9(18) . . . . ?
B6 B1 B3 B8 -6(2) . . . . ?
B5 B1 B3 B8 -68.0(18) . . . . ?
B7 B1 B3 B4 139.2(17) . . . . ?
B6 B1 B3 B4 96.5(17) . . . . ?
B5 B1 B3 B4 34.9(14) . . . . ?
B7 B1 B3 B9 103.4(17) . . . . ?
B4 B1 B3 B9 -35.8(15) . . . . ?
B6 B1 B3 B9 60.7(19) . . . . ?
B5 B1 B3 B9 -0.9(19) . . . . ?
B4 B1 B3 B7 -139.2(17) . . . . ?
B6 B1 B3 B7 -42.8(14) . . . . ?
B5 B1 B3 B7 -104.3(16) . . . . ?
B8 B3 B4 B10 -1(2) . . . . ?
B1 B3 B4 B10 -102.0(17) . . . . ?
B9 B3 B4 B10 38.5(15) . . . . ?
B7 B3 B4 B10 -65.8(19) . . . . ?
B8 B3 B4 B9 -39.6(15) . . . . ?
B1 B3 B4 B9 -140.5(17) . . . . ?
B7 B3 B4 B9 -104.3(17) . . . . ?
B8 B3 B4 B5 62(2) . . . . ?
B1 B3 B4 B5 -38.8(15) . . . . ?
B9 B3 B4 B5 101.7(18) . . . . ?
B7 B3 B4 B5 -3(2) . . . . ?
B8 B3 B4 B1 100.9(17) . . . . ?
B9 B3 B4 B1 140.5(17) . . . . ?
B7 B3 B4 B1 36.2(15) . . . . ?
B7 B1 B4 B10 63(2) . . . . ?
B3 B1 B4 B10 101.1(18) . . . . ?
B6 B1 B4 B10 -2(2) . . . . ?
B5 B1 B4 B10 -38.0(15) . . . . ?
B7 B1 B4 B9 -2(2) . . . . ?
B3 B1 B4 B9 35.8(15) . . . . ?
B6 B1 B4 B9 -66.9(18) . . . . ?
B5 B1 B4 B9 -103.3(18) . . . . ?
B7 B1 B4 B3 -37.7(15) . . . . ?
B6 B1 B4 B3 -102.7(16) . . . . ?
B5 B1 B4 B3 -139.1(17) . . . . ?
B7 B1 B4 B5 101.4(17) . . . . ?
B3 B1 B4 B5 139.1(17) . . . . ?
B6 B1 B4 B5 36.4(14) . . . . ?
B9 B4 B5 B10 -35.7(15) . . . . ?
B3 B4 B5 B10 -100.7(18) . . . . ?
B1 B4 B5 B10 -137.4(17) . . . . ?
B10 B4 B5 B11 41.6(14) . . . . ?
B9 B4 B5 B11 6(2) . . . . ?
B3 B4 B5 B11 -59.1(19) . . . . ?
B1 B4 B5 B11 -95.8(15) . . . . ?
B10 B4 B5 B6 100.6(16) . . . . ?
B9 B4 B5 B6 64.9(18) . . . . ?
B3 B4 B5 B6 0(2) . . . . ?
B1 B4 B5 B6 -36.9(14) . . . . ?
B10 B4 B5 B1 137.4(17) . . . . ?
B9 B4 B5 B1 101.7(17) . . . . ?
B3 B4 B5 B1 36.7(15) . . . . ?
B7 B1 B5 B10 -65.0(18) . . . . ?
B3 B1 B5 B10 0.4(19) . . . . ?
B4 B1 B5 B10 36.3(14) . . . . ?
B6 B1 B5 B10 -101.4(16) . . . . ?
B7 B1 B5 B4 -101.3(17) . . . . ?
B3 B1 B5 B4 -36.0(14) . . . . ?
B6 B1 B5 B4 -137.7(16) . . . . ?
B7 B1 B5 B11 -1.5(18) . . . . ?
B3 B1 B5 B11 63.9(17) . . . . ?
B4 B1 B5 B11 99.8(15) . . . . ?
B6 B1 B5 B11 -37.9(13) . . . . ?
B7 B1 B5 B6 36.4(14) . . . . ?
B3 B1 B5 B6 101.7(16) . . . . ?
B4 B1 B5 B6 137.7(16) . . . . ?
B10 B5 B6 B12 0(2) . . . . ?
B4 B5 B6 B12 -60.9(18) . . . . ?
B11 B5 B6 B12 36.3(14) . . . . ?
B1 B5 B6 B12 -97.8(16) . . . . ?
B10 B5 B6 B11 -36.7(16) . . . . ?
B4 B5 B6 B11 -97.3(16) . . . . ?
B1 B5 B6 B11 -134.1(16) . . . . ?
B10 B5 B6 B1 97.4(17) . . . . ?
B4 B5 B6 B1 36.9(14) . . . . ?
B11 B5 B6 B1 134.1(16) . . . . ?
B10 B5 B6 B7 63.4(19) . . . . ?
B4 B5 B6 B7 2.9(19) . . . . ?
B11 B5 B6 B7 100.1(16) . . . . ?
B1 B5 B6 B7 -34.0(13) . . . . ?
B7 B1 B6 B12 -40.2(14) . . . . ?
B3 B1 B6 B12 2.5(19) . . . . ?
B4 B1 B6 B12 64.8(17) . . . . ?
B5 B1 B6 B12 100.6(15) . . . . ?
B7 B1 B6 B11 -99.1(16) . . . . ?
B3 B1 B6 B11 -56.4(19) . . . . ?
B4 B1 B6 B11 5.9(19) . . . . ?
B5 B1 B6 B11 41.7(14) . . . . ?
B7 B1 B6 B5 -140.8(16) . . . . ?
B3 B1 B6 B5 -98.1(16) . . . . ?
B4 B1 B6 B5 -35.8(13) . . . . ?
B3 B1 B6 B7 42.7(14) . . . . ?
B4 B1 B6 B7 105.0(16) . . . . ?
B5 B1 B6 B7 140.8(16) . . . . ?
B3 B1 B7 B8 -34.6(15) . . . . ?
B4 B1 B7 B8 2(2) . . . . ?
B6 B1 B7 B8 98.4(16) . . . . ?
B5 B1 B7 B8 63.4(18) . . . . ?
B3 B1 B7 B12 -95.4(16) . . . . ?
B4 B1 B7 B12 -58.6(18) . . . . ?
B6 B1 B7 B12 37.6(13) . . . . ?
B5 B1 B7 B12 2.6(18) . . . . ?
B4 B1 B7 B3 36.8(15) . . . . ?
B6 B1 B7 B3 133.0(16) . . . . ?
B5 B1 B7 B3 98.0(17) . . . . ?
B3 B1 B7 B6 -133.0(16) . . . . ?
B4 B1 B7 B6 -96.2(17) . . . . ?
B5 B1 B7 B6 -35.0(13) . . . . ?
B8 B3 B7 B1 -139.9(18) . . . . ?
B4 B3 B7 B1 -37.4(15) . . . . ?
B9 B3 B7 B1 -101.3(18) . . . . ?
B1 B3 B7 B8 139.9(18) . . . . ?
B4 B3 B7 B8 102.5(18) . . . . ?
B9 B3 B7 B8 38.6(15) . . . . ?
B8 B3 B7 B12 -40.9(14) . . . . ?
B1 B3 B7 B12 99.0(16) . . . . ?
B4 B3 B7 B12 61.6(18) . . . . ?
B9 B3 B7 B12 -2.3(19) . . . . ?
B8 B3 B7 B6 -98.3(16) . . . . ?
B1 B3 B7 B6 41.6(14) . . . . ?
B4 B3 B7 B6 4(2) . . . . ?
B9 B3 B7 B6 -59.7(18) . . . . ?
B12 B6 B7 B1 134.1(16) . . . . ?
B11 B6 B7 B1 101.3(16) . . . . ?
B5 B6 B7 B1 36.3(14) . . . . ?
B12 B6 B7 B8 33.4(13) . . . . ?
B11 B6 B7 B8 0.6(18) . . . . ?
B5 B6 B7 B8 -64.4(17) . . . . ?
B1 B6 B7 B8 -100.7(16) . . . . ?
B11 B6 B7 B12 -32.7(14) . . . . ?
B5 B6 B7 B12 -97.8(16) . . . . ?
B1 B6 B7 B12 -134.1(16) . . . . ?
B12 B6 B7 B3 93.4(16) . . . . ?
B11 B6 B7 B3 60.6(18) . . . . ?
B5 B6 B7 B3 -4.4(19) . . . . ?
B1 B6 B7 B3 -40.7(14) . . . . ?
B1 B3 B8 B12 8(2) . . . . ?
B4 B3 B8 B12 -58.0(19) . . . . ?
B9 B3 B8 B12 -96.1(16) . . . . ?
B7 B3 B8 B12 43.1(14) . . . . ?
B1 B3 B8 B2 66.3(18) . . . . ?
B4 B3 B8 B2 0.7(19) . . . . ?
B9 B3 B8 B2 -37.4(14) . . . . ?
B7 B3 B8 B2 101.8(16) . . . . ?
B1 B3 B8 B7 -35.5(15) . . . . ?
B4 B3 B8 B7 -101.1(17) . . . . ?
B9 B3 B8 B7 -139.3(16) . . . . ?
B1 B3 B8 B9 103.7(18) . . . . ?
B4 B3 B8 B9 38.1(14) . . . . ?
B7 B3 B8 B9 139.3(16) . . . . ?
B12 B2 B8 B3 -99.5(16) . . . . ?
B11 B2 B8 B3 -66.9(18) . . . . ?
B9 B2 B8 B3 38.7(14) . . . . ?
B10 B2 B8 B3 -0.2(19) . . . . ?
B11 B2 B8 B12 32.6(14) . . . . ?
B9 B2 B8 B12 138.1(17) . . . . ?
B10 B2 B8 B12 99.3(17) . . . . ?
B12 B2 B8 B7 -35.2(14) . . . . ?
B11 B2 B8 B7 -3(2) . . . . ?
B9 B2 B8 B7 103.0(16) . . . . ?
B10 B2 B8 B7 64.1(18) . . . . ?
B12 B2 B8 B9 -138.1(17) . . . . ?
B11 B2 B8 B9 -105.6(17) . . . . ?
B10 B2 B8 B9 -38.8(14) . . . . ?
B1 B7 B8 B3 35.3(15) . . . . ?
B12 B7 B8 B3 131.2(17) . . . . ?
B6 B7 B8 B3 99.0(16) . . . . ?
B1 B7 B8 B12 -95.9(17) . . . . ?
B3 B7 B8 B12 -131.2(17) . . . . ?
B6 B7 B8 B12 -32.2(13) . . . . ?
B1 B7 B8 B2 -62.6(18) . . . . ?
B12 B7 B8 B2 33.3(14) . . . . ?
B3 B7 B8 B2 -97.9(17) . . . . ?
B6 B7 B8 B2 1.1(18) . . . . ?
B1 B7 B8 B9 -2(2) . . . . ?
B12 B7 B8 B9 94.2(17) . . . . ?
B3 B7 B8 B9 -37.0(15) . . . . ?
B6 B7 B8 B9 62.1(18) . . . . ?
B12 B2 B9 B10 -98.1(17) . . . . ?
B11 B2 B9 B10 -35.3(16) . . . . ?
B8 B2 B9 B10 -136.8(16) . . . . ?
B12 B2 B9 B4 -60(2) . . . . ?
B11 B2 B9 B4 2(2) . . . . ?
B8 B2 B9 B4 -99.0(16) . . . . ?
B10 B2 B9 B4 37.8(14) . . . . ?
B12 B2 B9 B3 2(2) . . . . ?
B11 B2 B9 B3 64(2) . . . . ?
B8 B2 B9 B3 -37.1(14) . . . . ?
B10 B2 B9 B3 99.7(16) . . . . ?
B12 B2 B9 B8 38.7(15) . . . . ?
B11 B2 B9 B8 101.5(18) . . . . ?
B10 B2 B9 B8 136.8(16) . . . . ?
B10 B4 B9 B2 -40.1(15) . . . . ?
B3 B4 B9 B2 97.8(17) . . . . ?
B5 B4 B9 B2 -5(2) . . . . ?
B1 B4 B9 B2 63(2) . . . . ?
B3 B4 B9 B10 137.9(17) . . . . ?
B5 B4 B9 B10 34.8(15) . . . . ?
B1 B4 B9 B10 102.8(18) . . . . ?
B10 B4 B9 B3 -137.9(17) . . . . ?
B5 B4 B9 B3 -103.1(17) . . . . ?
B1 B4 B9 B3 -35.0(15) . . . . ?
B10 B4 B9 B8 -102.0(16) . . . . ?
B3 B4 B9 B8 35.9(14) . . . . ?
B5 B4 B9 B8 -67.2(19) . . . . ?
B1 B4 B9 B8 1(2) . . . . ?
B8 B3 B9 B2 38.3(14) . . . . ?
B1 B3 B9 B2 -62.8(18) . . . . ?
B4 B3 B9 B2 -99.3(17) . . . . ?
B7 B3 B9 B2 1(2) . . . . ?
B8 B3 B9 B10 102.1(16) . . . . ?
B1 B3 B9 B10 1(2) . . . . ?
B4 B3 B9 B10 -35.5(14) . . . . ?
B7 B3 B9 B10 64.4(18) . . . . ?
B8 B3 B9 B4 137.6(17) . . . . ?
B1 B3 B9 B4 36.6(15) . . . . ?
B7 B3 B9 B4 99.9(17) . . . . ?
B1 B3 B9 B8 -101.1(17) . . . . ?
B4 B3 B9 B8 -137.6(17) . . . . ?
B7 B3 B9 B8 -37.7(14) . . . . ?
B3 B8 B9 B2 -135.8(17) . . . . ?
B12 B8 B9 B2 -34.8(14) . . . . ?
B7 B8 B9 B2 -98.2(17) . . . . ?
B3 B8 B9 B10 -96.5(17) . . . . ?
B12 B8 B9 B10 4.5(19) . . . . ?
B2 B8 B9 B10 39.3(15) . . . . ?
B7 B8 B9 B10 -59(2) . . . . ?
B3 B8 B9 B4 -37.1(15) . . . . ?
B12 B8 B9 B4 63.9(18) . . . . ?
B2 B8 B9 B4 98.7(17) . . . . ?
B7 B8 B9 B4 1(2) . . . . ?
B12 B8 B9 B3 101.0(16) . . . . ?
B2 B8 B9 B3 135.8(17) . . . . ?
B7 B8 B9 B3 37.6(15) . . . . ?
B9 B4 B10 B5 141.2(16) . . . . ?
B3 B4 B10 B5 102.9(17) . . . . ?
B1 B4 B10 B5 40.2(15) . . . . ?
B3 B4 B10 B9 -38.3(15) . . . . ?
B5 B4 B10 B9 -141.2(16) . . . . ?
B1 B4 B10 B9 -101.0(17) . . . . ?
B9 B4 B10 B2 39.1(14) . . . . ?
B3 B4 B10 B2 1(2) . . . . ?
B5 B4 B10 B2 -102.1(16) . . . . ?
B1 B4 B10 B2 -61.9(19) . . . . ?
B9 B4 B10 B11 97.9(17) . . . . ?
B3 B4 B10 B11 60(2) . . . . ?
B5 B4 B10 B11 -43.3(15) . . . . ?
B1 B4 B10 B11 -3(2) . . . . ?
B11 B5 B10 B4 -133.0(17) . . . . ?
B6 B5 B10 B4 -98.4(17) . . . . ?
B1 B5 B10 B4 -36.9(14) . . . . ?
B4 B5 B10 B9 37.2(15) . . . . ?
B11 B5 B10 B9 -95.9(17) . . . . ?
B6 B5 B10 B9 -61(2) . . . . ?
B1 B5 B10 B9 0(2) . . . . ?
B4 B5 B10 B2 100.2(18) . . . . ?
B11 B5 B10 B2 -32.9(15) . . . . ?
B6 B5 B10 B2 2(2) . . . . ?
B1 B5 B10 B2 63.3(19) . . . . ?
B4 B5 B10 B11 133.0(17) . . . . ?
B6 B5 B10 B11 34.6(15) . . . . ?
B1 B5 B10 B11 96.2(16) . . . . ?
B2 B9 B10 B4 135.0(17) . . . . ?
B3 B9 B10 B4 36.9(14) . . . . ?
B8 B9 B10 B4 96.6(16) . . . . ?
B2 B9 B10 B5 97.3(18) . . . . ?
B4 B9 B10 B5 -37.7(16) . . . . ?
B3 B9 B10 B5 -1(2) . . . . ?
B8 B9 B10 B5 59(2) . . . . ?
B4 B9 B10 B2 -135.0(17) . . . . ?
B3 B9 B10 B2 -98.1(16) . . . . ?
B8 B9 B10 B2 -38.4(14) . . . . ?
B2 B9 B10 B11 31.2(14) . . . . ?
B4 B9 B10 B11 -103.8(17) . . . . ?
B3 B9 B10 B11 -67.0(18) . . . . ?
B8 B9 B10 B11 -7(2) . . . . ?
B12 B2 B10 B4 64.1(19) . . . . ?
B11 B2 B10 B4 102.2(17) . . . . ?
B9 B2 B10 B4 -40.7(15) . . . . ?
B8 B2 B10 B4 0(2) . . . . ?
B12 B2 B10 B5 -3(2) . . . . ?
B11 B2 B10 B5 35.5(16) . . . . ?
B9 B2 B10 B5 -107.3(19) . . . . ?
B8 B2 B10 B5 -67(2) . . . . ?
B12 B2 B10 B9 104.8(18) . . . . ?
B11 B2 B10 B9 142.9(18) . . . . ?
B8 B2 B10 B9 40.2(15) . . . . ?
B12 B2 B10 B11 -38.1(15) . . . . ?
B9 B2 B10 B11 -142.9(18) . . . . ?
B8 B2 B10 B11 -102.7(17) . . . . ?
B9 B2 B11 B12 -101.6(19) . . . . ?
B8 B2 B11 B12 -33.8(15) . . . . ?
B10 B2 B11 B12 -135.9(18) . . . . ?
B12 B2 B11 B6 36.8(15) . . . . ?
B9 B2 B11 B6 -65(2) . . . . ?
B8 B2 B11 B6 3(2) . . . . ?
B10 B2 B11 B6 -99.1(17) . . . . ?
B12 B2 B11 B10 135.9(18) . . . . ?
B9 B2 B11 B10 34.3(16) . . . . ?
B8 B2 B11 B10 102.2(17) . . . . ?
B12 B2 B11 B5 102.8(17) . . . . ?
B9 B2 B11 B5 1(2) . . . . ?
B8 B2 B11 B5 69.1(18) . . . . ?
B10 B2 B11 B5 -33.1(15) . . . . ?
B5 B6 B11 B12 136.8(17) . . . . ?
B1 B6 B11 B12 94.6(16) . . . . ?
B7 B6 B11 B12 34.4(14) . . . . ?
B12 B6 B11 B2 -36.7(15) . . . . ?
B5 B6 B11 B2 100.1(17) . . . . ?
B1 B6 B11 B2 57.9(19) . . . . ?
B7 B6 B11 B2 -2(2) . . . . ?
B12 B6 B11 B10 -102.4(17) . . . . ?
B5 B6 B11 B10 34.4(14) . . . . ?
B1 B6 B11 B10 -8(2) . . . . ?
B7 B6 B11 B10 -68.0(17) . . . . ?
B12 B6 B11 B5 -136.8(17) . . . . ?
B1 B6 B11 B5 -42.2(14) . . . . ?
B7 B6 B11 B5 -102.4(16) . . . . ?
B4 B10 B11 B12 -58(2) . . . . ?
B5 B10 B11 B12 -101.4(18) . . . . ?
B9 B10 B11 B12 8(2) . . . . ?
B2 B10 B11 B12 39.9(15) . . . . ?
B4 B10 B11 B2 -97.6(18) . . . . ?
B5 B10 B11 B2 -141.3(18) . . . . ?
B9 B10 B11 B2 -32.4(15) . . . . ?
B4 B10 B11 B6 7(2) . . . . ?
B5 B10 B11 B6 -36.9(15) . . . . ?
B9 B10 B11 B6 72.1(18) . . . . ?
B2 B10 B11 B6 104.5(18) . . . . ?
B4 B10 B11 B5 43.8(15) . . . . ?
B9 B10 B11 B5 109.0(18) . . . . ?
B2 B10 B11 B5 141.3(18) . . . . ?
B10 B5 B11 B12 100.0(18) . . . . ?
B4 B5 B11 B12 60.3(18) . . . . ?
B6 B5 B11 B12 -39.5(14) . . . . ?
B1 B5 B11 B12 -0.5(19) . . . . ?
B10 B5 B11 B2 35.4(16) . . . . ?
B4 B5 B11 B2 -4(2) . . . . ?
B6 B5 B11 B2 -104.1(17) . . . . ?
B1 B5 B11 B2 -65.1(17) . . . . ?
B10 B5 B11 B6 139.5(17) . . . . ?
B4 B5 B11 B6 99.8(16) . . . . ?
B1 B5 B11 B6 39.0(13) . . . . ?
B4 B5 B11 B10 -39.7(14) . . . . ?
B6 B5 B11 B10 -139.5(18) . . . . ?
B1 B5 B11 B10 -100.5(16) . . . . ?
B6 B11 B12 B2 -140.1(17) . . . . ?
B10 B11 B12 B2 -40.4(15) . . . . ?
B5 B11 B12 B2 -100.2(17) . . . . ?
B2 B11 B12 B6 140.1(17) . . . . ?
B10 B11 B12 B6 99.7(17) . . . . ?
B5 B11 B12 B6 39.9(14) . . . . ?
B2 B11 B12 B8 35.4(16) . . . . ?
B6 B11 B12 B8 -104.6(18) . . . . ?
B10 B11 B12 B8 -5(2) . . . . ?
B5 B11 B12 B8 -64.8(19) . . . . ?
B2 B11 B12 B7 102.5(18) . . . . ?
B6 B11 B12 B7 -37.6(15) . . . . ?
B10 B11 B12 B7 62(2) . . . . ?
B5 B11 B12 B7 2(2) . . . . ?
B9 B2 B12 B11 103.7(18) . . . . ?
B8 B2 B12 B11 143.3(17) . . . . ?
B10 B2 B12 B11 40.2(16) . . . . ?
B11 B2 B12 B6 -37.8(16) . . . . ?
B9 B2 B12 B6 66(2) . . . . ?
B8 B2 B12 B6 105.4(18) . . . . ?
B10 B2 B12 B6 2(2) . . . . ?
B11 B2 B12 B8 -143.3(17) . . . . ?
B9 B2 B12 B8 -39.5(15) . . . . ?
B10 B2 B12 B8 -103.1(17) . . . . ?
B11 B2 B12 B7 -107.0(18) . . . . ?
B9 B2 B12 B7 -3(2) . . . . ?
B8 B2 B12 B7 36.2(15) . . . . ?
B10 B2 B12 B7 -67(2) . . . . ?
B5 B6 B12 B11 -38.6(15) . . . . ?
B1 B6 B12 B11 -103.5(16) . . . . ?
B7 B6 B12 B11 -141.8(16) . . . . ?
B11 B6 B12 B2 37.3(16) . . . . ?
B5 B6 B12 B2 -1(2) . . . . ?
B1 B6 B12 B2 -66.1(19) . . . . ?
B7 B6 B12 B2 -104.4(18) . . . . ?
B11 B6 B12 B8 105.7(18) . . . . ?
B5 B6 B12 B8 67.1(19) . . . . ?
B1 B6 B12 B8 2(2) . . . . ?
B7 B6 B12 B8 -36.0(15) . . . . ?
B11 B6 B12 B7 141.8(16) . . . . ?
B5 B6 B12 B7 103.1(16) . . . . ?
B1 B6 B12 B7 38.3(13) . . . . ?
B3 B8 B12 B11 63(2) . . . . ?
B2 B8 B12 B11 -35.0(16) . . . . ?
B7 B8 B12 B11 106.0(18) . . . . ?
B9 B8 B12 B11 0(2) . . . . ?
B3 B8 B12 B2 97.5(17) . . . . ?
B7 B8 B12 B2 141.0(16) . . . . ?
B9 B8 B12 B2 35.3(14) . . . . ?
B3 B8 B12 B6 -6(2) . . . . ?
B2 B8 B12 B6 -103.7(18) . . . . ?
B7 B8 B12 B6 37.2(15) . . . . ?
B9 B8 B12 B6 -68.4(18) . . . . ?
B3 B8 B12 B7 -43.5(14) . . . . ?
B2 B8 B12 B7 -141.0(16) . . . . ?
B9 B8 B12 B7 -105.7(15) . . . . ?
B1 B7 B12 B11 -3(2) . . . . ?
B8 B7 B12 B11 -104.4(18) . . . . ?
B3 B7 B12 B11 -64.0(19) . . . . ?
B6 B7 B12 B11 37.1(15) . . . . ?
B1 B7 B12 B2 64.2(19) . . . . ?
B8 B7 B12 B2 -37.1(15) . . . . ?
B3 B7 B12 B2 3(2) . . . . ?
B6 B7 B12 B2 104.5(18) . . . . ?
B1 B7 B12 B6 -40.3(14) . . . . ?
B8 B7 B12 B6 -141.5(16) . . . . ?
B3 B7 B12 B6 -101.1(15) . . . . ?
B1 B7 B12 B8 101.3(16) . . . . ?
B3 B7 B12 B8 40.4(13) . . . . ?
B6 B7 B12 B8 141.5(16) . . . . ?
B19 B13 B15 B20 36.3(16) . . . . ?
B16 B13 B15 B20 -102.9(18) . . . . ?
B18 B13 B15 B20 -7(2) . . . . ?
B17 B13 B15 B20 -68.0(18) . . . . ?
B19 B13 B15 B16 139.2(17) . . . . ?
B18 B13 B15 B16 96.4(17) . . . . ?
B17 B13 B15 B16 34.8(14) . . . . ?
B19 B13 B15 B21 103.5(17) . . . . ?
B16 B13 B15 B21 -35.6(15) . . . . ?
B18 B13 B15 B21 60.7(19) . . . . ?
B17 B13 B15 B21 -0.8(19) . . . . ?
B16 B13 B15 B19 -139.2(17) . . . . ?
B18 B13 B15 B19 -42.8(14) . . . . ?
B17 B13 B15 B19 -104.3(16) . . . . ?
B20 B15 B16 B22 -1(2) . . . . ?
B13 B15 B16 B22 -101.9(17) . . . . ?
B21 B15 B16 B22 38.7(15) . . . . ?
B19 B15 B16 B22 -65.7(19) . . . . ?
B20 B15 B16 B21 -39.5(15) . . . . ?
B13 B15 B16 B21 -140.6(17) . . . . ?
B19 B15 B16 B21 -104.3(17) . . . . ?
B20 B15 B16 B17 62(2) . . . . ?
B13 B15 B16 B17 -38.8(15) . . . . ?
B21 B15 B16 B17 101.8(18) . . . . ?
B19 B15 B16 B17 -3(2) . . . . ?
B20 B15 B16 B13 101.1(17) . . . . ?
B21 B15 B16 B13 140.6(17) . . . . ?
B19 B15 B16 B13 36.3(15) . . . . ?
B19 B13 B16 B22 63(2) . . . . ?
B15 B13 B16 B22 101.3(18) . . . . ?
B18 B13 B16 B22 -2(2) . . . . ?
B17 B13 B16 B22 -37.9(15) . . . . ?
B19 B13 B16 B21 -2(2) . . . . ?
B15 B13 B16 B21 35.8(15) . . . . ?
B18 B13 B16 B21 -67.0(18) . . . . ?
B17 B13 B16 B21 -103.4(18) . . . . ?
B19 B13 B16 B17 101.4(17) . . . . ?
B15 B13 B16 B17 139.2(17) . . . . ?
B18 B13 B16 B17 36.4(14) . . . . ?
B19 B13 B16 B15 -37.8(16) . . . . ?
B18 B13 B16 B15 -102.8(16) . . . . ?
B17 B13 B16 B15 -139.2(17) . . . . ?
B21 B16 B17 B22 -35.8(15) . . . . ?
B15 B16 B17 B22 -100.9(18) . . . . ?
B13 B16 B17 B22 -137.5(17) . . . . ?
B22 B16 B17 B23 41.8(14) . . . . ?
B21 B16 B17 B23 6(2) . . . . ?
B15 B16 B17 B23 -59.1(19) . . . . ?
B13 B16 B17 B23 -95.8(15) . . . . ?
B22 B16 B17 B18 100.6(16) . . . . ?
B21 B16 B17 B18 64.9(18) . . . . ?
B15 B16 B17 B18 0(2) . . . . ?
B13 B16 B17 B18 -36.9(14) . . . . ?
B22 B16 B17 B13 137.5(17) . . . . ?
B21 B16 B17 B13 101.8(17) . . . . ?
B15 B16 B17 B13 36.6(15) . . . . ?
B19 B13 B17 B22 -65.0(18) . . . . ?
B15 B13 B17 B22 0.3(19) . . . . ?
B16 B13 B17 B22 36.3(14) . . . . ?
B18 B13 B17 B22 -101.4(16) . . . . ?
B19 B13 B17 B16 -101.2(17) . . . . ?
B15 B13 B17 B16 -35.9(14) . . . . ?
B18 B13 B17 B16 -137.7(16) . . . . ?
B19 B13 B17 B23 -1.5(18) . . . . ?
B15 B13 B17 B23 63.8(17) . . . . ?
B16 B13 B17 B23 99.7(15) . . . . ?
B18 B13 B17 B23 -37.9(12) . . . . ?
B19 B13 B17 B18 36.4(14) . . . . ?
B15 B13 B17 B18 101.7(16) . . . . ?
B16 B13 B17 B18 137.7(16) . . . . ?
B22 B17 B18 B24 0(2) . . . . ?
B16 B17 B18 B24 -60.7(18) . . . . ?
B23 B17 B18 B24 36.4(14) . . . . ?
B13 B17 B18 B24 -97.6(16) . . . . ?
B22 B17 B18 B23 -36.5(16) . . . . ?
B16 B17 B18 B23 -97.1(16) . . . . ?
B13 B17 B18 B23 -134.0(16) . . . . ?
B22 B17 B18 B13 97.5(17) . . . . ?
B16 B17 B18 B13 36.9(14) . . . . ?
B23 B17 B18 B13 134.0(16) . . . . ?
B22 B17 B18 B19 63.5(19) . . . . ?
B16 B17 B18 B19 3.0(19) . . . . ?
B23 B17 B18 B19 100.0(16) . . . . ?
B13 B17 B18 B19 -34.0(13) . . . . ?
B19 B13 B18 B24 -40.2(14) . . . . ?
B15 B13 B18 B24 2.5(19) . . . . ?
B16 B13 B18 B24 64.8(17) . . . . ?
B17 B13 B18 B24 100.6(15) . . . . ?
B19 B13 B18 B23 -98.9(16) . . . . ?
B15 B13 B18 B23 -56.2(19) . . . . ?
B16 B13 B18 B23 6.2(19) . . . . ?
B17 B13 B18 B23 41.9(14) . . . . ?
B19 B13 B18 B17 -140.8(15) . . . . ?
B15 B13 B18 B17 -98.1(16) . . . . ?
B16 B13 B18 B17 -35.8(13) . . . . ?
B15 B13 B18 B19 42.7(14) . . . . ?
B16 B13 B18 B19 105.0(16) . . . . ?
B17 B13 B18 B19 140.8(15) . . . . ?
B15 B13 B19 B20 -34.4(15) . . . . ?
B16 B13 B19 B20 2(2) . . . . ?
B18 B13 B19 B20 98.6(16) . . . . ?
B17 B13 B19 B20 63.6(18) . . . . ?
B15 B13 B19 B24 -95.3(16) . . . . ?
B16 B13 B19 B24 -58.4(18) . . . . ?
B18 B13 B19 B24 37.7(13) . . . . ?
B17 B13 B19 B24 2.7(18) . . . . ?
B16 B13 B19 B15 36.9(15) . . . . ?
B18 B13 B19 B15 133.0(16) . . . . ?
B17 B13 B19 B15 98.0(16) . . . . ?
B15 B13 B19 B18 -133.0(16) . . . . ?
B16 B13 B19 B18 -96.1(17) . . . . ?
B17 B13 B19 B18 -35.0(13) . . . . ?
B20 B15 B19 B13 -140.0(18) . . . . ?
B16 B15 B19 B13 -37.4(15) . . . . ?
B21 B15 B19 B13 -101.2(18) . . . . ?
B13 B15 B19 B20 140.0(18) . . . . ?
B16 B15 B19 B20 102.6(18) . . . . ?
B21 B15 B19 B20 38.8(15) . . . . ?
B20 B15 B19 B24 -41.0(14) . . . . ?
B13 B15 B19 B24 99.0(16) . . . . ?
B16 B15 B19 B24 61.6(18) . . . . ?
B21 B15 B19 B24 -2.2(19) . . . . ?
B20 B15 B19 B18 -98.4(16) . . . . ?
B13 B15 B19 B18 41.7(14) . . . . ?
B16 B15 B19 B18 4(2) . . . . ?
B21 B15 B19 B18 -59.6(18) . . . . ?
B24 B18 B19 B13 134.0(16) . . . . ?
B23 B18 B19 B13 101.4(16) . . . . ?
B17 B18 B19 B13 36.3(14) . . . . ?
B24 B18 B19 B20 33.3(14) . . . . ?
B23 B18 B19 B20 0.8(18) . . . . ?
B17 B18 B19 B20 -64.4(17) . . . . ?
B13 B18 B19 B20 -100.7(16) . . . . ?
B23 B18 B19 B24 -32.5(13) . . . . ?
B17 B18 B19 B24 -97.7(16) . . . . ?
B13 B18 B19 B24 -134.0(16) . . . . ?
B24 B18 B19 B15 93.2(16) . . . . ?
B23 B18 B19 B15 60.7(17) . . . . ?
B17 B18 B19 B15 -4.4(19) . . . . ?
B13 B18 B19 B15 -40.7(13) . . . . ?
B13 B15 B20 B24 8(2) . . . . ?
B16 B15 B20 B24 -57.9(19) . . . . ?
B21 B15 B20 B24 -95.9(16) . . . . ?
B19 B15 B20 B24 43.2(14) . . . . ?
B13 B15 B20 B14 66.3(18) . . . . ?
B16 B15 B20 B14 0.6(19) . . . . ?
B21 B15 B20 B14 -37.4(14) . . . . ?
B19 B15 B20 B14 101.8(16) . . . . ?
B13 B15 B20 B19 -35.5(15) . . . . ?
B16 B15 B20 B19 -101.1(17) . . . . ?
B21 B15 B20 B19 -139.1(16) . . . . ?
B13 B15 B20 B21 103.7(18) . . . . ?
B16 B15 B20 B21 38.0(14) . . . . ?
B19 B15 B20 B21 139.1(16) . . . . ?
B24 B14 B20 B15 -99.5(16) . . . . ?
B23 B14 B20 B15 -67.0(18) . . . . ?
B21 B14 B20 B15 38.7(14) . . . . ?
B22 B14 B20 B15 -0.3(19) . . . . ?
B23 B14 B20 B24 32.5(14) . . . . ?
B21 B14 B20 B24 138.2(16) . . . . ?
B22 B14 B20 B24 99.2(16) . . . . ?
B24 B14 B20 B19 -35.1(14) . . . . ?
B23 B14 B20 B19 -3(2) . . . . ?
B21 B14 B20 B19 103.1(16) . . . . ?
B22 B14 B20 B19 64.1(18) . . . . ?
B24 B14 B20 B21 -138.2(16) . . . . ?
B23 B14 B20 B21 -105.7(17) . . . . ?
B22 B14 B20 B21 -39.0(14) . . . . ?
B13 B19 B20 B15 35.2(15) . . . . ?
B24 B19 B20 B15 131.1(17) . . . . ?
B18 B19 B20 B15 99.0(16) . . . . ?
B13 B19 B20 B24 -95.9(17) . . . . ?
B15 B19 B20 B24 -131.1(17) . . . . ?
B18 B19 B20 B24 -32.1(13) . . . . ?
B13 B19 B20 B14 -62.8(18) . . . . ?
B24 B19 B20 B14 33.2(14) . . . . ?
B15 B19 B20 B14 -97.9(17) . . . . ?
B18 B19 B20 B14 1.1(18) . . . . ?
B13 B19 B20 B21 -2(2) . . . . ?
B24 B19 B20 B21 93.9(17) . . . . ?
B15 B19 B20 B21 -37.2(15) . . . . ?
B18 B19 B20 B21 61.8(18) . . . . ?
B24 B14 B21 B22 -98.0(17) . . . . ?
B23 B14 B21 B22 -35.3(16) . . . . ?
B20 B14 B21 B22 -136.6(16) . . . . ?
B24 B14 B21 B16 -60(2) . . . . ?
B23 B14 B21 B16 2(2) . . . . ?
B20 B14 B21 B16 -98.9(16) . . . . ?
B22 B14 B21 B16 37.7(14) . . . . ?
B24 B14 B21 B15 2(2) . . . . ?
B23 B14 B21 B15 64(2) . . . . ?
B20 B14 B21 B15 -37.0(14) . . . . ?
B22 B14 B21 B15 99.7(16) . . . . ?
B24 B14 B21 B20 38.6(15) . . . . ?
B23 B14 B21 B20 101.3(18) . . . . ?
B22 B14 B21 B20 136.6(16) . . . . ?
B22 B16 B21 B14 -40.1(15) . . . . ?
B17 B16 B21 B14 -5(2) . . . . ?
B15 B16 B21 B14 97.8(17) . . . . ?
B13 B16 B21 B14 63(2) . . . . ?
B17 B16 B21 B22 34.7(15) . . . . ?
B15 B16 B21 B22 137.8(17) . . . . ?
B13 B16 B21 B22 102.9(18) . . . . ?
B22 B16 B21 B15 -137.8(17) . . . . ?
B17 B16 B21 B15 -103.1(17) . . . . ?
B13 B16 B21 B15 -34.9(15) . . . . ?
B22 B16 B21 B20 -102.2(16) . . . . ?
B17 B16 B21 B20 -67.4(19) . . . . ?
B15 B16 B21 B20 35.7(14) . . . . ?
B13 B16 B21 B20 1(2) . . . . ?
B20 B15 B21 B14 38.4(14) . . . . ?
B13 B15 B21 B14 -62.9(18) . . . . ?
B16 B15 B21 B14 -99.4(17) . . . . ?
B19 B15 B21 B14 0(2) . . . . ?
B20 B15 B21 B22 102.2(16) . . . . ?
B13 B15 B21 B22 1(2) . . . . ?
B16 B15 B21 B22 -35.5(14) . . . . ?
B19 B15 B21 B22 64.3(18) . . . . ?
B20 B15 B21 B16 137.7(17) . . . . ?
B13 B15 B21 B16 36.5(15) . . . . ?
B19 B15 B21 B16 99.9(17) . . . . ?
B13 B15 B21 B20 -101.3(17) . . . . ?
B16 B15 B21 B20 -137.7(17) . . . . ?
B19 B15 B21 B20 -37.9(14) . . . . ?
B15 B20 B21 B14 -135.8(17) . . . . ?
B24 B20 B21 B14 -34.7(14) . . . . ?
B19 B20 B21 B14 -98.1(17) . . . . ?
B15 B20 B21 B22 -96.4(17) . . . . ?
B24 B20 B21 B22 4.8(19) . . . . ?
B14 B20 B21 B22 39.5(15) . . . . ?
B19 B20 B21 B22 -59(2) . . . . ?
B15 B20 B21 B16 -37.0(15) . . . . ?
B24 B20 B21 B16 64.2(18) . . . . ?
B14 B20 B21 B16 98.9(17) . . . . ?
B19 B20 B21 B16 1(2) . . . . ?
B24 B20 B21 B15 101.2(16) . . . . ?
B14 B20 B21 B15 135.8(17) . . . . ?
B19 B20 B21 B15 37.8(15) . . . . ?
B21 B16 B22 B17 141.2(16) . . . . ?
B15 B16 B22 B17 102.9(17) . . . . ?
B13 B16 B22 B17 40.1(15) . . . . ?
B17 B16 B22 B21 -141.2(16) . . . . ?
B15 B16 B22 B21 -38.4(15) . . . . ?
B13 B16 B22 B21 -101.1(17) . . . . ?
B21 B16 B22 B14 39.0(14) . . . . ?
B17 B16 B22 B14 -102.2(16) . . . . ?
B15 B16 B22 B14 1(2) . . . . ?
B13 B16 B22 B14 -62.1(19) . . . . ?
B21 B16 B22 B23 97.7(17) . . . . ?
B17 B16 B22 B23 -43.6(14) . . . . ?
B15 B16 B22 B23 59.3(19) . . . . ?
B13 B16 B22 B23 -3(2) . . . . ?
B23 B17 B22 B16 -132.8(17) . . . . ?
B18 B17 B22 B16 -98.4(17) . . . . ?
B13 B17 B22 B16 -36.8(14) . . . . ?
B16 B17 B22 B21 37.1(15) . . . . ?
B23 B17 B22 B21 -95.7(17) . . . . ?
B18 B17 B22 B21 -61(2) . . . . ?
B13 B17 B22 B21 0(2) . . . . ?
B16 B17 B22 B14 100.0(18) . . . . ?
B23 B17 B22 B14 -32.8(15) . . . . ?
B18 B17 B22 B14 2(2) . . . . ?
B13 B17 B22 B14 63.2(19) . . . . ?
B16 B17 B22 B23 132.8(17) . . . . ?
B18 B17 B22 B23 34.4(15) . . . . ?
B13 B17 B22 B23 96.0(16) . . . . ?
B14 B21 B22 B16 135.0(17) . . . . ?
B15 B21 B22 B16 36.9(14) . . . . ?
B20 B21 B22 B16 96.4(16) . . . . ?
B14 B21 B22 B17 97.4(18) . . . . ?
B16 B21 B22 B17 -37.7(15) . . . . ?
B15 B21 B22 B17 -1(2) . . . . ?
B20 B21 B22 B17 59(2) . . . . ?
B16 B21 B22 B14 -135.0(17) . . . . ?
B15 B21 B22 B14 -98.1(16) . . . . ?
B20 B21 B22 B14 -38.6(14) . . . . ?
B14 B21 B22 B23 31.1(14) . . . . ?
B16 B21 B22 B23 -103.9(17) . . . . ?
B15 B21 B22 B23 -67.0(18) . . . . ?
B20 B21 B22 B23 -8(2) . . . . ?
B24 B14 B22 B16 64.2(19) . . . . ?
B23 B14 B22 B16 102.3(17) . . . . ?
B21 B14 B22 B16 -40.6(15) . . . . ?
B20 B14 B22 B16 0(2) . . . . ?
B24 B14 B22 B17 -2(2) . . . . ?
B23 B14 B22 B17 35.7(16) . . . . ?
B21 B14 B22 B17 -107.3(19) . . . . ?
B20 B14 B22 B17 -67(2) . . . . ?
B24 B14 B22 B21 104.8(18) . . . . ?
B23 B14 B22 B21 142.9(18) . . . . ?
B20 B14 B22 B21 40.3(14) . . . . ?
B24 B14 B22 B23 -38.1(15) . . . . ?
B21 B14 B22 B23 -142.9(18) . . . . ?
B20 B14 B22 B23 -102.6(17) . . . . ?
B21 B14 B23 B24 -101.5(19) . . . . ?
B20 B14 B23 B24 -33.7(15) . . . . ?
B22 B14 B23 B24 -135.8(18) . . . . ?
B24 B14 B23 B18 36.9(15) . . . . ?
B21 B14 B23 B18 -65(2) . . . . ?
B20 B14 B23 B18 3(2) . . . . ?
B22 B14 B23 B18 -99.0(17) . . . . ?
B24 B14 B23 B22 135.8(18) . . . . ?
B21 B14 B23 B22 34.3(16) . . . . ?
B20 B14 B23 B22 102.1(17) . . . . ?
B24 B14 B23 B17 102.8(17) . . . . ?
B21 B14 B23 B17 1(2) . . . . ?
B20 B14 B23 B17 69.1(18) . . . . ?
B22 B14 B23 B17 -33.0(15) . . . . ?
B17 B18 B23 B24 136.6(17) . . . . ?
B13 B18 B23 B24 94.3(16) . . . . ?
B19 B18 B23 B24 34.3(14) . . . . ?
B24 B18 B23 B14 -36.7(15) . . . . ?
B17 B18 B23 B14 99.9(17) . . . . ?
B13 B18 B23 B14 57.6(19) . . . . ?
B19 B18 B23 B14 -2(2) . . . . ?
B24 B18 B23 B22 -102.5(17) . . . . ?
B17 B18 B23 B22 34.1(14) . . . . ?
B13 B18 B23 B22 -8.2(19) . . . . ?
B19 B18 B23 B22 -68.2(17) . . . . ?
B24 B18 B23 B17 -136.6(17) . . . . ?
B13 B18 B23 B17 -42.3(14) . . . . ?
B19 B18 B23 B17 -102.3(15) . . . . ?
B16 B22 B23 B24 -57(2) . . . . ?
B17 B22 B23 B24 -101.3(18) . . . . ?
B21 B22 B23 B24 8(2) . . . . ?
B14 B22 B23 B24 40.0(15) . . . . ?
B16 B22 B23 B14 -97.3(18) . . . . ?
B17 B22 B23 B14 -141.3(18) . . . . ?
B21 B22 B23 B14 -32.3(15) . . . . ?
B16 B22 B23 B18 7(2) . . . . ?
B17 B22 B23 B18 -36.6(15) . . . . ?
B21 B22 B23 B18 72.4(18) . . . . ?
B14 B22 B23 B18 104.7(18) . . . . ?
B16 B22 B23 B17 44.0(15) . . . . ?
B21 B22 B23 B17 109.0(18) . . . . ?
B14 B22 B23 B17 141.3(18) . . . . ?
B22 B17 B23 B24 100.1(18) . . . . ?
B16 B17 B23 B24 60.2(18) . . . . ?
B18 B17 B23 B24 -39.7(14) . . . . ?
B13 B17 B23 B24 -0.6(18) . . . . ?
B22 B17 B23 B14 35.4(16) . . . . ?
B16 B17 B23 B14 -4(2) . . . . ?
B18 B17 B23 B14 -104.3(17) . . . . ?
B13 B17 B23 B14 -65.2(17) . . . . ?
B22 B17 B23 B18 139.7(18) . . . . ?
B16 B17 B23 B18 99.9(16) . . . . ?
B13 B17 B23 B18 39.1(13) . . . . ?
B16 B17 B23 B22 -39.9(14) . . . . ?
B18 B17 B23 B22 -139.7(18) . . . . ?
B13 B17 B23 B22 -100.6(16) . . . . ?
B18 B23 B24 B14 -140.2(17) . . . . ?
B22 B23 B24 B14 -40.5(15) . . . . ?
B17 B23 B24 B14 -100.2(17) . . . . ?
B14 B23 B24 B18 140.2(17) . . . . ?
B22 B23 B24 B18 99.6(17) . . . . ?
B17 B23 B24 B18 40.0(14) . . . . ?
B14 B23 B24 B20 35.6(16) . . . . ?
B18 B23 B24 B20 -104.6(18) . . . . ?
B22 B23 B24 B20 -5(2) . . . . ?
B17 B23 B24 B20 -64.6(19) . . . . ?
B14 B23 B24 B19 102.6(18) . . . . ?
B18 B23 B24 B19 -37.5(15) . . . . ?
B22 B23 B24 B19 62.1(19) . . . . ?
B17 B23 B24 B19 2(2) . . . . ?
B21 B14 B24 B23 103.8(18) . . . . ?
B20 B14 B24 B23 143.3(17) . . . . ?
B22 B14 B24 B23 40.3(16) . . . . ?
B23 B14 B24 B18 -37.8(16) . . . . ?
B21 B14 B24 B18 66(2) . . . . ?
B20 B14 B24 B18 105.5(18) . . . . ?
B22 B14 B24 B18 2(2) . . . . ?
B23 B14 B24 B20 -143.3(17) . . . . ?
B21 B14 B24 B20 -39.5(15) . . . . ?
B22 B14 B24 B20 -103.0(17) . . . . ?
B23 B14 B24 B19 -107.1(18) . . . . ?
B21 B14 B24 B19 -3(2) . . . . ?
B20 B14 B24 B19 36.2(15) . . . . ?
B22 B14 B24 B19 -67(2) . . . . ?
B17 B18 B24 B23 -38.8(15) . . . . ?
B13 B18 B24 B23 -103.6(16) . . . . ?
B19 B18 B24 B23 -141.9(16) . . . . ?
B23 B18 B24 B14 37.3(16) . . . . ?
B17 B18 B24 B14 -1(2) . . . . ?
B13 B18 B24 B14 -66.3(19) . . . . ?
B19 B18 B24 B14 -104.6(18) . . . . ?
B23 B18 B24 B20 106.0(18) . . . . ?
B17 B18 B24 B20 67.2(19) . . . . ?
B13 B18 B24 B20 2(2) . . . . ?
B19 B18 B24 B20 -35.9(15) . . . . ?
B23 B18 B24 B19 141.9(16) . . . . ?
B17 B18 B24 B19 103.1(16) . . . . ?
B13 B18 B24 B19 38.3(13) . . . . ?
B15 B20 B24 B23 62(2) . . . . ?
B14 B20 B24 B23 -35.0(16) . . . . ?
B19 B20 B24 B23 106.0(18) . . . . ?
B21 B20 B24 B23 0(2) . . . . ?
B15 B20 B24 B14 97.5(17) . . . . ?
B19 B20 B24 B14 141.1(16) . . . . ?
B21 B20 B24 B14 35.2(14) . . . . ?
B15 B20 B24 B18 -6(2) . . . . ?
B14 B20 B24 B18 -103.9(18) . . . . ?
B19 B20 B24 B18 37.1(15) . . . . ?
B21 B20 B24 B18 -68.7(18) . . . . ?
B15 B20 B24 B19 -43.6(14) . . . . ?
B14 B20 B24 B19 -141.1(16) . . . . ?
B21 B20 B24 B19 -105.9(15) . . . . ?
B13 B19 B24 B23 -3(2) . . . . ?
B20 B19 B24 B23 -104.6(18) . . . . ?
B15 B19 B24 B23 -64.1(19) . . . . ?
B18 B19 B24 B23 37.1(15) . . . . ?
B13 B19 B24 B14 64.1(19) . . . . ?
B20 B19 B24 B14 -37.1(15) . . . . ?
B15 B19 B24 B14 3(2) . . . . ?
B18 B19 B24 B14 104.5(17) . . . . ?
B13 B19 B24 B18 -40.4(14) . . . . ?
B20 B19 B24 B18 -141.7(16) . . . . ?
B15 B19 B24 B18 -101.2(15) . . . . ?
B13 B19 B24 B20 101.2(15) . . . . ?
B15 B19 B24 B20 40.4(13) . . . . ?
B18 B19 B24 B20 141.7(16) . . . . ?
O2A S1A N1A S2A -155(2) . . . . ?
O1A S1A N1A S2A -19(3) . . . . ?
C1A S1A N1A S2A 93(2) . . . . ?
O3A S2A N1A S1A -10(3) . . . . ?
O4A S2A N1A S1A -144(2) . . . . ?
C2A S2A N1A S1A 104(2) . . . . ?
O2A S1A C1A F2A 62(2) . . . . ?
O1A S1A C1A F2A -64(2) . . . . ?
N1A S1A C1A F2A 177(2) . . . . ?
O2A S1A C1A F1A -53(2) . . . . ?
O1A S1A C1A F1A -180(2) . . . . ?
N1A S1A C1A F1A 62(2) . . . . ?
O2A S1A C1A F3A -169(2) . . . . ?
O1A S1A C1A F3A 65(2) . . . . ?
N1A S1A C1A F3A -54(2) . . . . ?
O3A S2A C2A F4A 68(2) . . . . ?
O4A S2A C2A F4A -168(2) . . . . ?
N1A S2A C2A F4A -54(2) . . . . ?
O3A S2A C2A F5A -53(3) . . . . ?
O4A S2A C2A F5A 71(2) . . . . ?
N1A S2A C2A F5A -175(2) . . . . ?
O3A S2A C2A F6A -178(2) . . . . ?
O4A S2A C2A F6A -55(2) . . . . ?
N1A S2A C2A F6A 59(2) . . . . ?
O1G S1G C1G F3G -180(3) . . . . ?
O2G S1G C1G F3G -51(4) . . . . ?
N1G S1G C1G F3G 60(3) . . . . ?
O1G S1G C1G F1G -54(4) . . . . ?
O2G S1G C1G F1G 74(4) . . . . ?
N1G S1G C1G F1G -175(3) . . . . ?
O1G S1G C1G F2G 63(4) . . . . ?
O2G S1G C1G F2G -169(3) . . . . ?
N1G S1G C1G F2G -58(3) . . . . ?
O3G S2G C2G F6G 63(4) . . . . ?
O4G S2G C2G F6G -65(3) . . . . ?
N1G S2G C2G F6G -178(3) . . . . ?
O3G S2G C2G F5G -62(4) . . . . ?
O4G S2G C2G F5G 170(3) . . . . ?
N1G S2G C2G F5G 57(3) . . . . ?
O3G S2G C2G F4G -178(3) . . . . ?
O4G S2G C2G F4G 55(3) . . . . ?
N1G S2G C2G F4G -59(3) . . . . ?
O1G S1G N1G S2G -40(4) . . . . ?
O2G S1G N1G S2G -172(4) . . . . ?
C1G S1G N1G S2G 77(4) . . . . ?
O3G S2G N1G S1G -21(4) . . . . ?
O4G S2G N1G S1G 116(4) . . . . ?
C2G S2G N1G S1G -136(3) . . . . ?
O2B S1B N1B S2B -160(2) . . . . ?
O1B S1B N1B S2B -23(3) . . . . ?
C1B S1B N1B S2B 87(2) . . . . ?
O3B S2B N1B S1B 69(3) . . . . ?
O4B S2B N1B S1B -86(2) . . . . ?
C2B S2B N1B S1B 174(2) . . . . ?
O2B S1B C1B F1B 175(2) . . . . ?
O1B S1B C1B F1B 46(3) . . . . ?
N1B S1B C1B F1B -71(2) . . . . ?
O2B S1B C1B F2B 56(2) . . . . ?
O1B S1B C1B F2B -72(2) . . . . ?
N1B S1B C1B F2B 171(2) . . . . ?
O2B S1B C1B F3B -62(2) . . . . ?
O1B S1B C1B F3B 169(2) . . . . ?
N1B S1B C1B F3B 52(2) . . . . ?
O3B S2B C2B F4B -59(3) . . . . ?
O4B S2B C2B F4B 76(3) . . . . ?
N1B S2B C2B F4B -177(3) . . . . ?
O3B S2B C2B F6B -179(2) . . . . ?
O4B S2B C2B F6B -44(3) . . . . ?
N1B S2B C2B F6B 63(2) . . . . ?
O3B S2B C2B F5B 69(2) . . . . ?
O4B S2B C2B F5B -156(2) . . . . ?
N1B S2B C2B F5B -49(2) . . . . ?
O1C S1C N1C S2H -35(5) . . . . ?
O2C S1C N1C S2H 97(4) . . . . ?
C1C S1C N1C S2H -156(4) . . . . ?
O1C S1C N1C S2C 19(2) . . . . ?
O2C S1C N1C S2C 150.4(15) . . . . ?
C1C S1C N1C S2C -102.1(15) . . . . ?
O1C S1C C1C F1C 57(2) . . . . ?
O2C S1C C1C F1C -61(2) . . . . ?
N1C S1C C1C F1C -165.9(18) . . . . ?
O1C S1C C1C F2C -177.6(18) . . . . ?
O2C S1C C1C F2C 64(2) . . . . ?
N1C S1C C1C F2C -41(2) . . . . ?
O1C S1C C1C F3C -60.3(18) . . . . ?
O2C S1C C1C F3C -178.6(17) . . . . ?
N1C S1C C1C F3C 76.6(18) . . . . ?
S1C N1C S2C O3C 151.1(19) . . . . ?
S1C N1C S2C O4C 19(2) . . . . ?
S1C N1C S2C C2C -93.6(17) . . . . ?
O3C S2C C2C F6C -70(3) . . . . ?
O4C S2C C2C F6C 57(3) . . . . ?
N1C S2C C2C F6C 174(2) . . . . ?
O3C S2C C2C F4C 53(3) . . . . ?
O4C S2C C2C F4C -179(3) . . . . ?
N1C S2C C2C F4C -63(2) . . . . ?
O3C S2C C2C F5C 174(3) . . . . ?
O4C S2C C2C F5C -58(3) . . . . ?
N1C S2C C2C F5C 58(2) . . . . ?
S1C N1C S2H O4H -114(5) . . . . ?
S1C N1C S2H O3H 112(5) . . . . ?
S1C N1C S2H C2H -1(5) . . . . ?
O4H S2H C2H F5H -76(3) . . . . ?
O3H S2H C2H F5H 53(3) . . . . ?
N1C S2H C2H F5H 167(3) . . . . ?
O4H S2H C2H F6H 45(4) . . . . ?
O3H S2H C2H F6H 174(3) . . . . ?
N1C S2H C2H F6H -72(3) . . . . ?
O4H S2H C2H F4H 162(4) . . . . ?
O3H S2H C2H F4H -69(4) . . . . ?
N1C S2H C2H F4H 45(4) . . . . ?
O4D S2D N1D S1D -163(3) . . . . ?
O3D S2D N1D S1D -27(3) . . . . ?
C2D S2D N1D S1D 84(3) . . . . ?
O2D S1D N1D S2D -69(3) . . . . ?
O1D S1D N1D S2D 70(3) . . . . ?
C1D S1D N1D S2D 180(2) . . . . ?
O2D S1D C1D F2D 72(3) . . . . ?
O1D S1D C1D F2D -63(3) . . . . ?
N1D S1D C1D F2D -177(3) . . . . ?
O2D S1D C1D F1D -55(3) . . . . ?
O1D S1D C1D F1D 170(3) . . . . ?
N1D S1D C1D F1D 56(3) . . . . ?
O2D S1D C1D F3D -168(3) . . . . ?
O1D S1D C1D F3D 58(3) . . . . ?
N1D S1D C1D F3D -56(3) . . . . ?
O4D S2D C2D F5D -65(3) . . . . ?
O3D S2D C2D F5D 169(3) . . . . ?
N1D S2D C2D F5D 49(3) . . . . ?
O4D S2D C2D F6D 59(3) . . . . ?
O3D S2D C2D F6D -67(3) . . . . ?
N1D S2D C2D F6D 173(3) . . . . ?
O4D S2D C2D F4D -180(3) . . . . ?
O3D S2D C2D F4D 55(3) . . . . ?
N1D S2D C2D F4D -65(3) . . . . ?
O3E S2E N1E S1E 174(5) . . . . ?
O4E S2E N1E S1E -49(6) . . . . ?
C2E S2E N1E S1E 60(6) . . . . ?
O1E S1E N1E S2E 101(5) . . . . ?
O2E S1E N1E S2E -29(6) . . . . ?
C1E S1E N1E S2E -143(5) . . . . ?
O1E S1E C1E F1E 66(3) . . . . ?
O2E S1E C1E F1E -169(2) . . . . ?
N1E S1E C1E F1E -50(3) . . . . ?
O1E S1E C1E F2E -64(3) . . . . ?
O2E S1E C1E F2E 61(3) . . . . ?
N1E S1E C1E F2E -180(2) . . . . ?
O1E S1E C1E F3E 176(3) . . . . ?
O2E S1E C1E F3E -60(3) . . . . ?
N1E S1E C1E F3E 60(3) . . . . ?
O3E S2E C2E F4E -72(3) . . . . ?
O4E S2E C2E F4E 163(3) . . . . ?
N1E S2E C2E F4E 48(3) . . . . ?
O3E S2E C2E F6E 51(3) . . . . ?
O4E S2E C2E F6E -74(3) . . . . ?
N1E S2E C2E F6E 171(3) . . . . ?
O3E S2E C2E F5E 168(3) . . . . ?
O4E S2E C2E F5E 43(3) . . . . ?
N1E S2E C2E F5E -72(3) . . . . ?
O2F S1F C1F F2F 151(4) . . . . ?
O1F S1F C1F F2F -78(4) . . . . ?
N1F S1F C1F F2F 33(3) . . . . ?
O2F S1F C1F F1F -92(4) . . . . ?
O1F S1F C1F F1F 39(4) . . . . ?
N1F S1F C1F F1F 151(4) . . . . ?
O2F S1F C1F F3F 25(4) . . . . ?
O1F S1F C1F F3F 156(4) . . . . ?
N1F S1F C1F F3F -92(4) . . . . ?
O3F S2F N1F S1F 92(4) . . . . ?
O4F S2F N1F S1F -35(4) . . . . ?
C2F S2F N1F S1F -145(3) . . . . ?
O2F S1F N1F S2F 27(4) . . . . ?
O1F S1F N1F S2F -99(4) . . . . ?
C1F S1F N1F S2F 150(3) . . . . ?
O3F S2F C2F F4F 42(4) . . . . ?
O4F S2F C2F F4F 169(4) . . . . ?
N1F S2F C2F F4F -86(4) . . . . ?
O3F S2F C2F F6F -78(4) . . . . ?
O4F S2F C2F F6F 49(4) . . . . ?
N1F S2F C2F F6F 155(4) . . . . ?
O3F S2F C2F F5F 164(4) . . . . ?
O4F S2F C2F F5F -69(4) . . . . ?
N1F S2F C2F F5F 37(4) . . . . ?
