#------------------------------------------------------------------------------
#$Date: 2019-11-23 07:24:36 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232422 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/76/4347655.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_4347655
loop_
_publ_author_name
'Tsuchiya, Mizuho'
'Sakamoto, Ryota'
'Shimada, Masaki'
'Yamanoi, Yoshinori'
'Hattori, Yohei'
'Sugimoto, Kunihisa'
'Nishibori, Eiji'
'Nishihara, Hiroshi'
_publ_section_title
;
 Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5732
_journal_page_last               5734
_journal_paper_doi               10.1021/acs.inorgchem.6b00431
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C46 H54 N4 Zn'
_chemical_formula_sum            'C46 H54 N4 Zn'
_chemical_formula_weight         728.34
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-07-22
_audit_creation_method           'by CrystalStructure 4.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.158(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            12
_cell_length_a                   48.682(15)
_cell_length_b                   11.495(4)
_cell_length_c                   21.478(7)
_cell_measurement_reflns_used    12717
_cell_measurement_temperature    113
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      3.11
_cell_volume                     11704(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            36454
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_T_max  0.875
_exptl_absorpt_correction_T_min  0.695
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             4656.00
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.300
_refine_diff_density_min         -1.030
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     690
_refine_ls_number_reflns         10137
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0737
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0540P)²+87.2472P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1863
_reflns_number_gt                7153
_reflns_number_total             10137
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic6b00431_si_002.cif
_cod_data_source_block           3b2Zn
_cod_database_code               4347655
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.5000 0.43271(6) 0.7500 0.02097(19) Uani 1.0 4 d .
Zn2 Zn 0.337067(10) 0.05627(4) 0.59552(2) 0.02045(16) Uani 1.0 8 d .
N3 N 0.49947(7) 0.3529(3) 0.83156(16) 0.0191(8) Uani 1.0 8 d .
N4 N 0.46364(8) 0.5143(4) 0.74397(17) 0.0246(9) Uani 1.0 8 d .
N5 N 0.33439(7) 0.1338(3) 0.51220(17) 0.0205(8) Uani 1.0 8 d .
N6 N 0.37242(7) -0.0268(4) 0.59384(17) 0.0205(8) Uani 1.0 8 d .
N7 N 0.33898(7) 0.1337(3) 0.67881(17) 0.0205(8) Uani 1.0 8 d .
N8 N 0.30229(7) -0.0327(3) 0.59659(17) 0.0207(8) Uani 1.0 8 d .
C9 C 0.21809(11) 0.0430(5) 0.9159(3) 0.0367(13) Uani 1.0 8 d .
C10 C 0.18642(10) 0.1477(5) 0.8274(3) 0.0354(12) Uani 1.0 8 d .
C11 C 0.19014(11) -0.0678(5) 0.8216(3) 0.0428(14) Uani 1.0 8 d .
C12 C 0.20650(10) 0.0447(5) 0.8432(3) 0.0258(10) Uani 1.0 8 d .
C13 C 0.23116(9) 0.0528(4) 0.8100(2) 0.0200(9) Uani 1.0 8 d .
C14 C 0.23343(9) 0.1433(4) 0.7677(3) 0.0248(10) Uani 1.0 8 d .
C15 C 0.25469(9) 0.1427(4) 0.7340(2) 0.0243(10) Uani 1.0 8 d .
C16 C 0.27436(8) 0.0532(4) 0.74132(19) 0.0177(9) Uani 1.0 8 d .
C17 C 0.25231(9) -0.0326(4) 0.8201(2) 0.0235(10) Uani 1.0 8 d .
C18 C 0.27318(9) -0.0331(4) 0.7858(2) 0.0230(10) Uani 1.0 8 d .
C19 C 0.29906(10) -0.1315(5) 0.4925(3) 0.0330(12) Uani 1.0 8 d .
C20 C 0.28754(10) -0.0982(4) 0.5491(2) 0.0243(10) Uani 1.0 8 d .
C21 C 0.26127(9) -0.1265(4) 0.5614(2) 0.0259(10) Uani 1.0 8 d .
C22 C 0.25926(9) -0.0755(4) 0.6182(2) 0.0227(10) Uani 1.0 8 d .
C23 C 0.23321(10) -0.0865(5) 0.6444(3) 0.0299(11) Uani 1.0 8 d .
C24 C 0.28571(9) -0.0154(4) 0.6415(2) 0.0193(9) Uani 1.0 8 d .
C25 C 0.29484(9) 0.0493(4) 0.69863(19) 0.0178(9) Uani 1.0 8 d .
C26 C 0.38428(9) 0.2352(5) 0.6848(3) 0.0269(10) Uani 1.0 8 d .
C27 C 0.36046(9) 0.1965(4) 0.7126(2) 0.0204(9) Uani 1.0 8 d .
C28 C 0.35649(9) 0.2170(4) 0.7748(2) 0.0219(9) Uani 1.0 8 d .
C29 C 0.32000(8) 0.1117(4) 0.71834(18) 0.0160(8) Uani 1.0 8 d .
C30 C 0.33155(9) 0.1660(4) 0.77951(19) 0.0190(9) Uani 1.0 8 d .
C31 C 0.32098(9) 0.1642(5) 0.8403(2) 0.0264(10) Uani 1.0 8 d .
C32 C 0.28824(11) 0.2280(5) 0.5067(3) 0.0366(12) Uani 1.0 8 d .
C33 C 0.31265(9) 0.1961(4) 0.4794(3) 0.0250(10) Uani 1.0 8 d .
C34 C 0.31659(9) 0.2233(4) 0.4177(2) 0.0261(10) Uani 1.0 8 d .
C35 C 0.34203(9) 0.1771(4) 0.4122(2) 0.0226(10) Uani 1.0 8 d .
C36 C 0.35282(10) 0.1888(5) 0.3523(3) 0.0328(12) Uani 1.0 8 d .
C37 C 0.35356(9) 0.1179(4) 0.47229(19) 0.0196(9) Uani 1.0 8 d .
C38 C 0.37883(8) 0.0552(4) 0.49137(19) 0.0166(9) Uani 1.0 8 d .
C39 C 0.38839(9) -0.0104(4) 0.5480(2) 0.0189(9) Uani 1.0 8 d .
C40 C 0.41485(9) -0.0717(4) 0.5693(2) 0.0207(9) Uani 1.0 8 d .
C41 C 0.41364(9) -0.1215(4) 0.6273(2) 0.0248(10) Uani 1.0 8 d .
C42 C 0.38744(9) -0.0921(4) 0.6407(2) 0.0235(10) Uani 1.0 8 d .
C43 C 0.37652(10) -0.1259(5) 0.6976(3) 0.0305(11) Uani 1.0 8 d .
C44 C 0.43988(9) -0.0857(5) 0.5397(3) 0.0282(11) Uani 1.0 8 d .
C45 C 0.39837(9) 0.0573(4) 0.44666(19) 0.0179(9) Uani 1.0 8 d .
C46 C 0.39590(9) -0.0218(4) 0.3961(2) 0.0215(9) Uani 1.0 8 d .
C47 C 0.42011(9) 0.1380(4) 0.4556(2) 0.0227(10) Uani 1.0 8 d .
C48 C 0.43969(9) 0.1360(4) 0.4174(2) 0.0231(10) Uani 1.0 8 d .
C49 C 0.41534(9) -0.0231(4) 0.3574(2) 0.0234(10) Uani 1.0 8 d .
C50 C 0.43808(9) 0.0548(4) 0.3678(2) 0.0204(9) Uani 1.0 8 d .
C51 C 0.46107(10) 0.0528(5) 0.3299(3) 0.0290(11) Uani 1.0 8 d .
C52 C 0.48914(11) 0.0206(7) 0.3756(3) 0.0507(17) Uani 1.0 8 d .
C53 C 0.45515(11) -0.0367(5) 0.2758(3) 0.0366(13) Uani 1.0 8 d .
C54 C 0.46366(13) 0.1732(5) 0.3011(3) 0.0440(14) Uani 1.0 8 d .
C55 C 0.54662(10) 0.2599(5) 0.8459(3) 0.0328(12) Uani 1.0 8 d .
C56 C 0.52159(9) 0.3009(4) 0.8694(2) 0.0240(10) Uani 1.0 8 d .
C57 C 0.51780(9) 0.2945(5) 0.9328(2) 0.0272(11) Uani 1.0 8 d .
C58 C 0.48047(9) 0.3822(4) 0.86917(19) 0.0183(9) Uani 1.0 8 d .
C59 C 0.49232(9) 0.3447(4) 0.9340(2) 0.0236(10) Uani 1.0 8 d .
C60 C 0.48189(10) 0.3601(5) 0.9949(2) 0.0314(12) Uani 1.0 8 d .
C61 C 0.45436(8) 0.4386(4) 0.84519(19) 0.0166(9) Uani 1.0 8 d .
C62 C 0.43373(9) 0.4413(4) 0.88716(19) 0.0171(9) Uani 1.0 8 d .
C63 C 0.42138(9) 0.3400(4) 0.9023(2) 0.0212(9) Uani 1.0 8 d .
C64 C 0.40094(9) 0.3431(4) 0.9383(2) 0.0233(10) Uani 1.0 8 d .
C65 C 0.42540(10) 0.5467(4) 0.9100(3) 0.0290(11) Uani 1.0 8 d .
C66 C 0.40518(11) 0.5482(5) 0.9460(3) 0.0305(11) Uani 1.0 8 d .
C67 C 0.39212(9) 0.4470(4) 0.96049(19) 0.0195(9) Uani 1.0 8 d .
C68 C 0.36775(9) 0.4525(4) 0.9940(2) 0.0225(10) Uani 1.0 8 d .
C69 C 0.36448(11) 0.3379(5) 1.0281(3) 0.0331(12) Uani 1.0 8 d .
C70 C 0.34032(10) 0.4754(5) 0.9426(3) 0.0372(13) Uani 1.0 8 d .
C71 C 0.37175(11) 0.5517(5) 1.0436(3) 0.0342(12) Uani 1.0 8 d .
C72 C 0.44530(9) 0.4938(4) 0.7845(2) 0.0202(9) Uani 1.0 8 d .
C73 C 0.46195(12) 0.6059(6) 0.6386(3) 0.0445(15) Uani 1.0 8 d .
C74 C 0.44892(11) 0.5679(4) 0.6921(3) 0.0286(11) Uani 1.0 8 d .
C75 C 0.42053(11) 0.5823(5) 0.6958(3) 0.0314(11) Uani 1.0 8 d .
C76 C 0.41777(10) 0.5370(4) 0.7534(3) 0.0259(10) Uani 1.0 8 d .
C77 C 0.38969(10) 0.5323(5) 0.7718(3) 0.0368(12) Uani 1.0 8 d .
H9A H 0.2024 0.0354 0.9373 0.0440 Uiso 1.0 8 calc R
H9B H 0.2283 0.1155 0.9294 0.0440 Uiso 1.0 8 calc R
H9C H 0.2310 -0.0231 0.9274 0.0440 Uiso 1.0 8 calc R
H10A H 0.1965 0.2197 0.8426 0.0425 Uiso 1.0 8 calc R
H10B H 0.1707 0.1376 0.8483 0.0425 Uiso 1.0 8 calc R
H10C H 0.1791 0.1522 0.7810 0.0425 Uiso 1.0 8 calc R
H11A H 0.1831 -0.0666 0.7750 0.0514 Uiso 1.0 8 calc R
H11B H 0.1742 -0.0738 0.8421 0.0514 Uiso 1.0 8 calc R
H11C H 0.2027 -0.1348 0.8338 0.0514 Uiso 1.0 8 calc R
H14 H 0.2203 0.2057 0.7621 0.0297 Uiso 1.0 8 calc R
H15 H 0.2558 0.2047 0.7054 0.0292 Uiso 1.0 8 calc R
H17 H 0.2523 -0.0915 0.8511 0.0282 Uiso 1.0 8 calc R
H18 H 0.2869 -0.0934 0.7928 0.0276 Uiso 1.0 8 calc R
H19A H 0.3166 -0.1757 0.5070 0.0396 Uiso 1.0 8 calc R
H19B H 0.3029 -0.0611 0.4702 0.0396 Uiso 1.0 8 calc R
H19C H 0.2852 -0.1795 0.4633 0.0396 Uiso 1.0 8 calc R
H21 H 0.2472 -0.1731 0.5349 0.0311 Uiso 1.0 8 calc R
H23A H 0.2191 -0.1336 0.6152 0.0359 Uiso 1.0 8 calc R
H23B H 0.2254 -0.0090 0.6486 0.0359 Uiso 1.0 8 calc R
H23C H 0.2381 -0.1242 0.6864 0.0359 Uiso 1.0 8 calc R
H26A H 0.3770 0.2845 0.6475 0.0323 Uiso 1.0 8 calc R
H26B H 0.3937 0.1671 0.6719 0.0323 Uiso 1.0 8 calc R
H26C H 0.3978 0.2796 0.7169 0.0323 Uiso 1.0 8 calc R
H28 H 0.3689 0.2589 0.8077 0.0262 Uiso 1.0 8 calc R
H31A H 0.3185 0.2442 0.8539 0.0316 Uiso 1.0 8 calc R
H31B H 0.3347 0.1240 0.8738 0.0316 Uiso 1.0 8 calc R
H31C H 0.3029 0.1234 0.8327 0.0316 Uiso 1.0 8 calc R
H32A H 0.2948 0.2742 0.5455 0.0440 Uiso 1.0 8 calc R
H32B H 0.2791 0.1571 0.5171 0.0440 Uiso 1.0 8 calc R
H32C H 0.2747 0.2737 0.4753 0.0440 Uiso 1.0 8 calc R
H34 H 0.3039 0.2661 0.3857 0.0313 Uiso 1.0 8 calc R
H36A H 0.3722 0.2189 0.3632 0.0394 Uiso 1.0 8 calc R
H36B H 0.3407 0.2428 0.3229 0.0394 Uiso 1.0 8 calc R
H36C H 0.3526 0.1125 0.3319 0.0394 Uiso 1.0 8 calc R
H41 H 0.4280 -0.1674 0.6536 0.0298 Uiso 1.0 8 calc R
H43A H 0.3591 -0.1708 0.6837 0.0366 Uiso 1.0 8 calc R
H43B H 0.3727 -0.0557 0.7200 0.0366 Uiso 1.0 8 calc R
H43C H 0.3907 -0.1734 0.7264 0.0366 Uiso 1.0 8 calc R
H44A H 0.4499 -0.0113 0.5414 0.0339 Uiso 1.0 8 calc R
H44B H 0.4334 -0.1103 0.4951 0.0339 Uiso 1.0 8 calc R
H44C H 0.4527 -0.1446 0.5635 0.0339 Uiso 1.0 8 calc R
H46 H 0.3807 -0.0756 0.3879 0.0258 Uiso 1.0 8 calc R
H47 H 0.4216 0.1952 0.4881 0.0272 Uiso 1.0 8 calc R
H48 H 0.4546 0.1912 0.4251 0.0277 Uiso 1.0 8 calc R
H49 H 0.4131 -0.0777 0.3235 0.0281 Uiso 1.0 8 calc R
H52A H 0.5042 0.0208 0.3523 0.0608 Uiso 1.0 8 calc R
H52B H 0.4876 -0.0571 0.3933 0.0608 Uiso 1.0 8 calc R
H52C H 0.4935 0.0774 0.4105 0.0608 Uiso 1.0 8 calc R
H53A H 0.4707 -0.0363 0.2536 0.0439 Uiso 1.0 8 calc R
H53B H 0.4375 -0.0169 0.2455 0.0439 Uiso 1.0 8 calc R
H53C H 0.4535 -0.1142 0.2936 0.0439 Uiso 1.0 8 calc R
H54A H 0.4460 0.1926 0.2708 0.0528 Uiso 1.0 8 calc R
H54B H 0.4791 0.1727 0.2789 0.0528 Uiso 1.0 8 calc R
H54C H 0.4675 0.2314 0.3354 0.0528 Uiso 1.0 8 calc R
H55A H 0.5424 0.2643 0.7992 0.0394 Uiso 1.0 8 calc R
H55B H 0.5629 0.3093 0.8639 0.0394 Uiso 1.0 8 calc R
H55C H 0.5509 0.1792 0.8595 0.0394 Uiso 1.0 8 calc R
H57 H 0.5306 0.2612 0.9683 0.0327 Uiso 1.0 8 calc R
H60A H 0.4806 0.2839 1.0144 0.0377 Uiso 1.0 8 calc R
H60B H 0.4951 0.4094 1.0248 0.0377 Uiso 1.0 8 calc R
H60C H 0.4632 0.3969 0.9847 0.0377 Uiso 1.0 8 calc R
H63 H 0.4269 0.2674 0.8880 0.0254 Uiso 1.0 8 calc R
H64 H 0.3928 0.2722 0.9480 0.0280 Uiso 1.0 8 calc R
H65 H 0.4337 0.6175 0.9007 0.0348 Uiso 1.0 8 calc R
H66 H 0.4000 0.6206 0.9614 0.0365 Uiso 1.0 8 calc R
H69A H 0.3608 0.2745 0.9968 0.0397 Uiso 1.0 8 calc R
H69B H 0.3819 0.3216 1.0602 0.0397 Uiso 1.0 8 calc R
H69C H 0.3487 0.3443 1.0491 0.0397 Uiso 1.0 8 calc R
H70A H 0.3420 0.5493 0.9210 0.0447 Uiso 1.0 8 calc R
H70B H 0.3373 0.4121 0.9113 0.0447 Uiso 1.0 8 calc R
H70C H 0.3243 0.4793 0.9631 0.0447 Uiso 1.0 8 calc R
H71A H 0.3893 0.5393 1.0759 0.0410 Uiso 1.0 8 calc R
H71B H 0.3727 0.6263 1.0221 0.0410 Uiso 1.0 8 calc R
H71C H 0.3558 0.5525 1.0644 0.0410 Uiso 1.0 8 calc R
H73A H 0.4771 0.6616 0.6549 0.0534 Uiso 1.0 8 calc R
H73B H 0.4697 0.5381 0.6208 0.0534 Uiso 1.0 8 calc R
H73C H 0.4476 0.6430 0.6051 0.0534 Uiso 1.0 8 calc R
H75 H 0.4060 0.6170 0.6642 0.0377 Uiso 1.0 8 calc R
H77A H 0.3882 0.5979 0.8000 0.0442 Uiso 1.0 8 calc R
H77B H 0.3745 0.5368 0.7332 0.0442 Uiso 1.0 8 calc R
H77C H 0.3882 0.4591 0.7942 0.0442 Uiso 1.0 8 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Zn Zn 0.2839 1.4301
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N3 Zn1 N3 124.91(15) yes . 2_656
N3 Zn1 N4 94.91(15) yes . .
N3 Zn1 N4 110.63(14) yes . 2_656
N3 Zn1 N4 110.63(14) yes 2_656 .
N3 Zn1 N4 94.91(15) yes 2_656 2_656
N4 Zn1 N4 123.50(17) yes . 2_656
N5 Zn2 N6 94.57(16) yes . .
N5 Zn2 N7 126.49(15) yes . .
N5 Zn2 N8 111.26(14) yes . .
N6 Zn2 N7 111.81(14) yes . .
N6 Zn2 N8 120.05(15) yes . .
N7 Zn2 N8 94.93(16) yes . .
Zn1 N3 C56 125.1(4) yes . .
Zn1 N3 C58 122.8(3) yes . .
C56 N3 C58 107.7(4) yes . .
Zn1 N4 C72 124.4(3) yes . .
Zn1 N4 C74 125.2(4) yes . .
C72 N4 C74 107.5(4) yes . .
Zn2 N5 C33 126.8(4) yes . .
Zn2 N5 C37 125.0(3) yes . .
C33 N5 C37 107.6(4) yes . .
Zn2 N6 C39 125.0(3) yes . .
Zn2 N6 C42 126.1(4) yes . .
C39 N6 C42 108.0(4) yes . .
Zn2 N7 C27 127.0(4) yes . .
Zn2 N7 C29 124.0(3) yes . .
C27 N7 C29 107.9(4) yes . .
Zn2 N8 C20 126.4(4) yes . .
Zn2 N8 C24 124.1(3) yes . .
C20 N8 C24 108.1(4) yes . .
C9 C12 C10 107.8(5) yes . .
C9 C12 C11 110.0(5) yes . .
C9 C12 C13 109.2(4) yes . .
C10 C12 C11 109.0(4) yes . .
C10 C12 C13 112.3(4) yes . .
C11 C12 C13 108.5(5) yes . .
C12 C13 C14 122.2(4) yes . .
C12 C13 C17 120.8(4) yes . .
C14 C13 C17 117.1(5) yes . .
C13 C14 C15 120.8(4) yes . .
C14 C15 C16 121.3(5) yes . .
C15 C16 C18 118.2(5) yes . .
C15 C16 C25 119.3(4) yes . .
C18 C16 C25 122.5(4) yes . .
C13 C17 C18 121.5(5) yes . .
C16 C18 C17 120.9(4) yes . .
N8 C20 C19 121.8(5) yes . .
N8 C20 C21 110.0(5) yes . .
C19 C20 C21 128.2(4) yes . .
C20 C21 C22 108.6(4) yes . .
C21 C22 C23 122.1(4) yes . .
C21 C22 C24 105.8(4) yes . .
C23 C22 C24 132.2(5) yes . .
N8 C24 C22 107.5(4) yes . .
N8 C24 C25 123.5(4) yes . .
C22 C24 C25 128.9(5) yes . .
C16 C25 C24 115.1(4) yes . .
C16 C25 C29 117.2(4) yes . .
C24 C25 C29 127.7(5) yes . .
N7 C27 C26 121.8(4) yes . .
N7 C27 C28 110.2(4) yes . .
C26 C27 C28 128.0(4) yes . .
C27 C28 C30 108.2(4) yes . .
N7 C29 C25 123.9(4) yes . .
N7 C29 C30 107.2(4) yes . .
C25 C29 C30 128.9(4) yes . .
C28 C30 C29 106.5(4) yes . .
C28 C30 C31 123.5(4) yes . .
C29 C30 C31 129.9(4) yes . .
N5 C33 C32 122.3(5) yes . .
N5 C33 C34 110.5(5) yes . .
C32 C33 C34 127.2(4) yes . .
C33 C34 C35 108.2(4) yes . .
C34 C35 C36 122.4(4) yes . .
C34 C35 C37 106.1(4) yes . .
C36 C35 C37 131.5(4) yes . .
N5 C37 C35 107.6(4) yes . .
N5 C37 C38 123.0(4) yes . .
C35 C37 C38 129.4(5) yes . .
C37 C38 C39 128.2(5) yes . .
C37 C38 C45 116.5(4) yes . .
C39 C38 C45 115.3(4) yes . .
N6 C39 C38 123.3(4) yes . .
N6 C39 C40 108.0(4) yes . .
C38 C39 C40 128.6(5) yes . .
C39 C40 C41 105.5(4) yes . .
C39 C40 C44 131.8(4) yes . .
C41 C40 C44 122.6(4) yes . .
C40 C41 C42 108.0(4) yes . .
N6 C42 C41 110.4(5) yes . .
N6 C42 C43 121.9(4) yes . .
C41 C42 C43 127.7(4) yes . .
C38 C45 C46 122.1(4) yes . .
C38 C45 C47 119.8(4) yes . .
C46 C45 C47 118.0(5) yes . .
C45 C46 C49 121.3(4) yes . .
C45 C47 C48 120.7(4) yes . .
C47 C48 C50 122.1(4) yes . .
C46 C49 C50 121.2(4) yes . .
C48 C50 C49 116.8(5) yes . .
C48 C50 C51 119.6(4) yes . .
C49 C50 C51 123.6(4) yes . .
C50 C51 C52 108.4(4) yes . .
C50 C51 C53 112.4(4) yes . .
C50 C51 C54 109.8(5) yes . .
C52 C51 C53 108.1(5) yes . .
C52 C51 C54 109.4(5) yes . .
C53 C51 C54 108.7(5) yes . .
N3 C56 C55 122.8(4) yes . .
N3 C56 C57 110.2(4) yes . .
C55 C56 C57 127.0(4) yes . .
C56 C57 C59 108.1(4) yes . .
N3 C58 C59 108.2(4) yes . .
N3 C58 C61 123.8(4) yes . .
C59 C58 C61 128.0(5) yes . .
C57 C59 C58 105.8(4) yes . .
C57 C59 C60 123.1(4) yes . .
C58 C59 C60 131.0(4) yes . .
C58 C61 C62 117.5(4) yes . .
C58 C61 C72 127.0(5) yes . .
C62 C61 C72 115.5(4) yes . .
C61 C62 C63 120.8(4) yes . .
C61 C62 C65 121.1(4) yes . .
C63 C62 C65 118.0(5) yes . .
C62 C63 C64 120.9(4) yes . .
C63 C64 C67 121.9(5) yes . .
C62 C65 C66 120.4(5) yes . .
C65 C66 C67 122.2(5) yes . .
C64 C67 C66 116.7(5) yes . .
C64 C67 C68 122.2(4) yes . .
C66 C67 C68 120.9(5) yes . .
C67 C68 C69 111.5(4) yes . .
C67 C68 C70 107.9(4) yes . .
C67 C68 C71 111.6(4) yes . .
C69 C68 C70 108.6(4) yes . .
C69 C68 C71 108.4(4) yes . .
C70 C68 C71 108.6(4) yes . .
N4 C72 C61 122.3(4) yes . .
N4 C72 C76 108.0(4) yes . .
C61 C72 C76 129.7(5) yes . .
N4 C74 C73 122.4(5) yes . .
N4 C74 C75 110.8(5) yes . .
C73 C74 C75 126.8(5) yes . .
C74 C75 C76 107.6(4) yes . .
C72 C76 C75 106.1(5) yes . .
C72 C76 C77 131.9(5) yes . .
C75 C76 C77 121.9(5) yes . .
C12 C9 H9A 109.492 no . .
C12 C9 H9B 109.465 no . .
C12 C9 H9C 109.466 no . .
H9A C9 H9B 109.466 no . .
H9A C9 H9C 109.469 no . .
H9B C9 H9C 109.469 no . .
C12 C10 H10A 109.457 no . .
C12 C10 H10B 109.481 no . .
C12 C10 H10C 109.460 no . .
H10A C10 H10B 109.474 no . .
H10A C10 H10C 109.473 no . .
H10B C10 H10C 109.484 no . .
C12 C11 H11A 109.474 no . .
C12 C11 H11B 109.479 no . .
C12 C11 H11C 109.464 no . .
H11A C11 H11B 109.471 no . .
H11A C11 H11C 109.469 no . .
H11B C11 H11C 109.470 no . .
C13 C14 H14 119.602 no . .
C15 C14 H14 119.607 no . .
C14 C15 H15 119.372 no . .
C16 C15 H15 119.374 no . .
C13 C17 H17 119.234 no . .
C18 C17 H17 119.244 no . .
C16 C18 H18 119.527 no . .
C17 C18 H18 119.539 no . .
C20 C19 H19A 109.461 no . .
C20 C19 H19B 109.481 no . .
C20 C19 H19C 109.474 no . .
H19A C19 H19B 109.461 no . .
H19A C19 H19C 109.465 no . .
H19B C19 H19C 109.485 no . .
C20 C21 H21 125.654 no . .
C22 C21 H21 125.715 no . .
C22 C23 H23A 109.471 no . .
C22 C23 H23B 109.474 no . .
C22 C23 H23C 109.497 no . .
H23A C23 H23B 109.459 no . .
H23A C23 H23C 109.466 no . .
H23B C23 H23C 109.461 no . .
C27 C26 H26A 109.461 no . .
C27 C26 H26B 109.469 no . .
C27 C26 H26C 109.461 no . .
H26A C26 H26B 109.487 no . .
H26A C26 H26C 109.472 no . .
H26B C26 H26C 109.477 no . .
C27 C28 H28 125.879 no . .
C30 C28 H28 125.927 no . .
C30 C31 H31A 109.459 no . .
C30 C31 H31B 109.470 no . .
C30 C31 H31C 109.469 no . .
H31A C31 H31B 109.479 no . .
H31A C31 H31C 109.475 no . .
H31B C31 H31C 109.474 no . .
C33 C32 H32A 109.448 no . .
C33 C32 H32B 109.467 no . .
C33 C32 H32C 109.471 no . .
H32A C32 H32B 109.474 no . .
H32A C32 H32C 109.484 no . .
H32B C32 H32C 109.482 no . .
C33 C34 H34 125.951 no . .
C35 C34 H34 125.896 no . .
C35 C36 H36A 109.469 no . .
C35 C36 H36B 109.468 no . .
C35 C36 H36C 109.474 no . .
H36A C36 H36B 109.473 no . .
H36A C36 H36C 109.465 no . .
H36B C36 H36C 109.477 no . .
C40 C41 H41 125.993 no . .
C42 C41 H41 126.005 no . .
C42 C43 H43A 109.471 no . .
C42 C43 H43B 109.459 no . .
C42 C43 H43C 109.459 no . .
H43A C43 H43B 109.480 no . .
H43A C43 H43C 109.483 no . .
H43B C43 H43C 109.476 no . .
C40 C44 H44A 109.482 no . .
C40 C44 H44B 109.490 no . .
C40 C44 H44C 109.476 no . .
H44A C44 H44B 109.449 no . .
H44A C44 H44C 109.467 no . .
H44B C44 H44C 109.463 no . .
C45 C46 H46 119.372 no . .
C49 C46 H46 119.377 no . .
C45 C47 H47 119.670 no . .
C48 C47 H47 119.676 no . .
C47 C48 H48 118.963 no . .
C50 C48 H48 118.982 no . .
C46 C49 H49 119.412 no . .
C50 C49 H49 119.410 no . .
C51 C52 H52A 109.455 no . .
C51 C52 H52B 109.470 no . .
C51 C52 H52C 109.469 no . .
H52A C52 H52B 109.480 no . .
H52A C52 H52C 109.477 no . .
H52B C52 H52C 109.476 no . .
C51 C53 H53A 109.472 no . .
C51 C53 H53B 109.473 no . .
C51 C53 H53C 109.473 no . .
H53A C53 H53B 109.480 no . .
H53A C53 H53C 109.465 no . .
H53B C53 H53C 109.464 no . .
C51 C54 H54A 109.473 no . .
C51 C54 H54B 109.467 no . .
C51 C54 H54C 109.477 no . .
H54A C54 H54B 109.468 no . .
H54A C54 H54C 109.472 no . .
H54B C54 H54C 109.469 no . .
C56 C55 H55A 109.459 no . .
C56 C55 H55B 109.461 no . .
C56 C55 H55C 109.476 no . .
H55A C55 H55B 109.492 no . .
H55A C55 H55C 109.476 no . .
H55B C55 H55C 109.463 no . .
C56 C57 H57 125.926 no . .
C59 C57 H57 125.930 no . .
C59 C60 H60A 109.479 no . .
C59 C60 H60B 109.487 no . .
C59 C60 H60C 109.473 no . .
H60A C60 H60B 109.462 no . .
H60A C60 H60C 109.461 no . .
H60B C60 H60C 109.466 no . .
C62 C63 H63 119.562 no . .
C64 C63 H63 119.572 no . .
C63 C64 H64 119.081 no . .
C67 C64 H64 119.050 no . .
C62 C65 H65 119.809 no . .
C66 C65 H65 119.792 no . .
C65 C66 H66 118.907 no . .
C67 C66 H66 118.935 no . .
C68 C69 H69A 109.477 no . .
C68 C69 H69B 109.480 no . .
C68 C69 H69C 109.456 no . .
H69A C69 H69B 109.474 no . .
H69A C69 H69C 109.473 no . .
H69B C69 H69C 109.468 no . .
C68 C70 H70A 109.483 no . .
C68 C70 H70B 109.480 no . .
C68 C70 H70C 109.469 no . .
H70A C70 H70B 109.466 no . .
H70A C70 H70C 109.456 no . .
H70B C70 H70C 109.473 no . .
C68 C71 H71A 109.476 no . .
C68 C71 H71B 109.477 no . .
C68 C71 H71C 109.456 no . .
H71A C71 H71B 109.465 no . .
H71A C71 H71C 109.474 no . .
H71B C71 H71C 109.480 no . .
C74 C73 H73A 109.472 no . .
C74 C73 H73B 109.468 no . .
C74 C73 H73C 109.498 no . .
H73A C73 H73B 109.450 no . .
H73A C73 H73C 109.478 no . .
H73B C73 H73C 109.462 no . .
C74 C75 H75 126.176 no . .
C76 C75 H75 126.204 no . .
C76 C77 H77A 109.472 no . .
C76 C77 H77B 109.476 no . .
C76 C77 H77C 109.446 no . .
H77A C77 H77B 109.476 no . .
H77A C77 H77C 109.476 no . .
H77B C77 H77C 109.481 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Zn1 N3 1.983(4) yes .
Zn1 N3 1.983(4) yes 2_656
Zn1 N4 1.981(4) yes .
Zn1 N4 1.981(4) yes 2_656
Zn2 N5 1.977(4) yes .
Zn2 N6 1.976(4) yes .
Zn2 N7 1.981(4) yes .
Zn2 N8 1.982(4) yes .
N3 C56 1.334(6) yes .
N3 C58 1.400(6) yes .
N4 C72 1.402(7) yes .
N4 C74 1.331(6) yes .
N5 C33 1.338(6) yes .
N5 C37 1.415(7) yes .
N6 C39 1.399(7) yes .
N6 C42 1.332(6) yes .
N7 C27 1.340(6) yes .
N7 C29 1.413(6) yes .
N8 C20 1.338(6) yes .
N8 C24 1.405(7) yes .
C9 C12 1.535(7) yes .
C10 C12 1.524(7) yes .
C11 C12 1.534(8) yes .
C12 C13 1.532(8) yes .
C13 C14 1.402(7) yes .
C13 C17 1.404(6) yes .
C14 C15 1.392(7) yes .
C15 C16 1.390(6) yes .
C16 C18 1.388(7) yes .
C16 C25 1.501(7) yes .
C17 C18 1.384(7) yes .
C19 C20 1.501(8) yes .
C20 C21 1.401(7) yes .
C21 C22 1.378(7) yes .
C22 C23 1.505(8) yes .
C22 C24 1.446(6) yes .
C24 C25 1.418(6) yes .
C25 C29 1.399(6) yes .
C26 C27 1.488(7) yes .
C27 C28 1.412(7) yes .
C28 C30 1.372(7) yes .
C29 C30 1.448(6) yes .
C30 C31 1.508(7) yes .
C32 C33 1.484(8) yes .
C33 C34 1.417(7) yes .
C34 C35 1.377(7) yes .
C35 C36 1.501(7) yes .
C35 C37 1.454(6) yes .
C37 C38 1.404(6) yes .
C38 C39 1.417(6) yes .
C38 C45 1.498(7) yes .
C39 C40 1.448(6) yes .
C40 C41 1.386(7) yes .
C40 C44 1.505(7) yes .
C41 C42 1.410(7) yes .
C42 C43 1.491(7) yes .
C45 C46 1.401(6) yes .
C45 C47 1.388(6) yes .
C46 C49 1.393(7) yes .
C47 C48 1.393(7) yes .
C48 C50 1.405(7) yes .
C49 C50 1.402(7) yes .
C50 C51 1.527(8) yes .
C51 C52 1.536(7) yes .
C51 C53 1.529(8) yes .
C51 C54 1.533(8) yes .
C55 C56 1.497(8) yes .
C56 C57 1.416(7) yes .
C57 C59 1.374(7) yes .
C58 C59 1.446(6) yes .
C58 C61 1.415(6) yes .
C59 C60 1.517(7) yes .
C61 C62 1.495(7) yes .
C61 C72 1.425(6) yes .
C62 C63 1.383(7) yes .
C62 C65 1.401(7) yes .
C63 C64 1.393(7) yes .
C64 C67 1.389(7) yes .
C65 C66 1.384(8) yes .
C66 C67 1.395(7) yes .
C67 C68 1.523(7) yes .
C68 C69 1.533(7) yes .
C68 C70 1.549(6) yes .
C68 C71 1.542(7) yes .
C72 C76 1.443(6) yes .
C73 C74 1.499(9) yes .
C74 C75 1.412(8) yes .
C75 C76 1.377(8) yes .
C76 C77 1.508(8) yes .
C9 H9A 0.980 no .
C9 H9B 0.980 no .
C9 H9C 0.980 no .
C10 H10A 0.980 no .
C10 H10B 0.980 no .
C10 H10C 0.980 no .
C11 H11A 0.980 no .
C11 H11B 0.980 no .
C11 H11C 0.980 no .
C14 H14 0.950 no .
C15 H15 0.950 no .
C17 H17 0.950 no .
C18 H18 0.950 no .
C19 H19A 0.980 no .
C19 H19B 0.980 no .
C19 H19C 0.980 no .
C21 H21 0.950 no .
C23 H23A 0.980 no .
C23 H23B 0.980 no .
C23 H23C 0.980 no .
C26 H26A 0.980 no .
C26 H26B 0.980 no .
C26 H26C 0.980 no .
C28 H28 0.950 no .
C31 H31A 0.980 no .
C31 H31B 0.980 no .
C31 H31C 0.980 no .
C32 H32A 0.980 no .
C32 H32B 0.980 no .
C32 H32C 0.980 no .
C34 H34 0.950 no .
C36 H36A 0.980 no .
C36 H36B 0.980 no .
C36 H36C 0.980 no .
C41 H41 0.950 no .
C43 H43A 0.980 no .
C43 H43B 0.980 no .
C43 H43C 0.980 no .
C44 H44A 0.980 no .
C44 H44B 0.980 no .
C44 H44C 0.980 no .
C46 H46 0.950 no .
C47 H47 0.950 no .
C48 H48 0.950 no .
C49 H49 0.950 no .
C52 H52A 0.980 no .
C52 H52B 0.980 no .
C52 H52C 0.980 no .
C53 H53A 0.980 no .
C53 H53B 0.980 no .
C53 H53C 0.980 no .
C54 H54A 0.980 no .
C54 H54B 0.980 no .
C54 H54C 0.980 no .
C55 H55A 0.980 no .
C55 H55B 0.980 no .
C55 H55C 0.980 no .
C57 H57 0.950 no .
C60 H60A 0.980 no .
C60 H60B 0.980 no .
C60 H60C 0.980 no .
C63 H63 0.950 no .
C64 H64 0.950 no .
C65 H65 0.950 no .
C66 H66 0.950 no .
C69 H69A 0.980 no .
C69 H69B 0.980 no .
C69 H69C 0.980 no .
C70 H70A 0.980 no .
C70 H70B 0.980 no .
C70 H70C 0.980 no .
C71 H71A 0.980 no .
C71 H71B 0.980 no .
C71 H71C 0.980 no .
C73 H73A 0.980 no .
C73 H73B 0.980 no .
C73 H73C 0.980 no .
C75 H75 0.950 no .
C77 H77A 0.980 no .
C77 H77B 0.980 no .
C77 H77C 0.980 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Zn1 C55 3.349(5) no .
Zn1 C55 3.349(5) no 2_656
Zn1 C56 2.958(5) no 2_656
Zn1 C58 2.983(5) no 2_656
Zn1 C61 3.345(5) no .
Zn1 C61 3.345(5) no 2_656
Zn1 C72 3.006(5) no 2_656
Zn1 C73 3.332(6) no .
Zn1 C73 3.332(6) no 2_656
Zn1 C74 2.956(5) no 2_656
Zn2 C19 3.334(5) no .
Zn2 C25 3.348(5) no .
Zn2 C26 3.345(5) no .
Zn2 C32 3.335(6) no .
Zn2 C38 3.348(5) no .
Zn2 C43 3.311(5) no .
N3 C72 3.063(6) no .
N3 C73 3.442(7) no 2_656
N4 C55 3.477(7) no 2_656
N4 C58 3.034(6) no .
N5 C19 3.480(7) no .
N5 C39 3.055(6) no .
N6 C26 3.566(6) no .
N6 C37 3.056(6) no .
N7 C24 3.059(6) no .
N7 C43 3.475(7) no .
N8 C29 3.051(6) no .
N8 C32 3.546(7) no .
C9 C17 3.054(8) no .
C10 C14 2.866(8) no .
C11 C14 3.574(8) no .
C11 C17 3.061(8) no .
C13 C16 2.831(7) no .
C14 C18 2.768(7) no .
C15 C17 2.756(7) no .
C15 C22 3.574(7) no .
C15 C23 3.290(7) no .
C15 C24 3.302(7) no .
C15 C29 3.292(7) no .
C15 C31 3.512(6) no .
C16 C22 2.972(6) no .
C16 C23 3.005(6) no .
C16 C30 3.011(6) no .
C16 C31 3.017(6) no .
C18 C22 3.541(7) no .
C18 C23 3.271(6) no .
C18 C24 3.300(7) no .
C18 C29 3.401(7) no .
C18 C31 3.270(7) no .
C20 C25 3.577(7) no .
C23 C25 3.348(7) no .
C25 C27 3.566(7) no .
C25 C31 3.295(6) no .
C33 C38 3.563(6) no .
C35 C45 3.007(6) no .
C35 C46 3.555(7) no .
C36 C38 3.341(6) no .
C36 C45 3.044(6) no .
C36 C46 3.201(7) no .
C36 C47 3.562(6) no .
C37 C46 3.324(7) no .
C37 C47 3.347(7) no .
C38 C42 3.565(6) no .
C38 C44 3.336(6) no .
C39 C46 3.369(7) no .
C39 C47 3.260(7) no .
C40 C45 2.969(6) no .
C40 C47 3.481(7) no .
C44 C45 2.991(6) no .
C44 C46 3.412(6) no .
C44 C47 3.164(7) no .
C45 C50 2.846(7) no .
C46 C48 2.757(7) no .
C47 C49 2.776(7) no .
C48 C52 3.056(8) no .
C48 C54 3.018(9) no .
C49 C52 3.560(7) no .
C49 C53 2.898(8) no .
C56 C61 3.565(6) no .
C58 C63 3.154(7) no .
C58 C65 3.550(7) no .
C59 C62 3.012(6) no .
C59 C63 3.365(7) no .
C60 C61 3.314(6) no .
C60 C62 3.041(6) no .
C60 C63 3.165(6) no .
C61 C74 3.563(7) no .
C61 C77 3.361(6) no .
C62 C67 2.836(7) no .
C62 C76 3.009(6) no .
C62 C77 3.068(7) no .
C63 C66 2.751(7) no .
C63 C72 3.495(7) no .
C64 C65 2.756(7) no .
C64 C69 2.904(8) no .
C64 C70 3.340(7) no .
C65 C72 3.123(7) no .
C65 C76 3.301(7) no .
C65 C77 3.084(7) no .
C66 C70 3.252(8) no .
C66 C71 2.933(9) no .
C9 C21 3.480(7) no 4_555
C21 C9 3.480(7) no 4_554
C26 C55 3.584(7) no 2_656
C44 C52 3.598(7) no 3_656
C52 C44 3.598(7) no 3_656
C55 C26 3.584(7) no 2_656
C60 C73 3.463(8) no 4_565
C73 C60 3.463(8) no 4_564
Zn1 H55A 2.8520 no .
Zn1 H55A 2.8520 no 2_656
Zn1 H73A 3.3613 no .
Zn1 H73A 3.3613 no 2_656
Zn1 H73B 3.0789 no .
Zn1 H73B 3.0789 no 2_656
Zn2 H19A 3.2956 no .
Zn2 H19B 3.1281 no .
Zn2 H26A 3.3055 no .
Zn2 H26B 3.1396 no .
Zn2 H32A 3.2639 no .
Zn2 H32B 3.1609 no .
Zn2 H43A 3.2597 no .
Zn2 H43B 3.1145 no .
N3 H55A 2.5606 no .
N3 H55A 3.2362 no 2_656
N3 H55B 3.0489 no .
N3 H55C 3.1522 no .
N3 H57 3.1643 no .
N3 H73B 2.6707 no 2_656
N4 H55A 3.0129 no 2_656
N4 H55B 3.3503 no 2_656
N4 H73A 2.7444 no .
N4 H73B 2.7406 no .
N4 H73C 3.2614 no .
N4 H75 3.1658 no .
N5 H19B 2.7471 no .
N5 H32A 2.7301 no .
N5 H32B 2.7332 no .
N5 H32C 3.2554 no .
N5 H34 3.1716 no .
N6 H19A 3.3905 no .
N6 H26B 2.8392 no .
N6 H41 3.1604 no .
N6 H43A 2.7304 no .
N6 H43B 2.7279 no .
N6 H43C 3.2530 no .
N7 H26A 2.7308 no .
N7 H26B 2.7294 no .
N7 H26C 3.2575 no .
N7 H28 3.1656 no .
N7 H32A 3.5530 no .
N7 H43B 2.7479 no .
N8 H19A 2.7387 no .
N8 H19B 2.7407 no .
N8 H19C 3.2646 no .
N8 H21 3.1522 no .
N8 H32B 2.8413 no .
N8 H43A 3.3634 no .
C9 H10A 2.6378 no .
C9 H10B 2.6628 no .
C9 H10C 3.3274 no .
C9 H11A 3.3603 no .
C9 H11B 2.7098 no .
C9 H11C 2.6923 no .
C9 H17 2.8555 no .
C10 H9A 2.6491 no .
C10 H9B 2.6572 no .
C10 H9C 3.3254 no .
C10 H11A 2.6977 no .
C10 H11B 2.6510 no .
C10 H11C 3.3378 no .
C10 H14 2.4871 no .
C11 H9A 2.6958 no .
C11 H9B 3.3603 no .
C11 H9C 2.7065 no .
C11 H10A 3.3401 no .
C11 H10B 2.6546 no .
C11 H10C 2.6882 no .
C11 H17 2.9593 no .
C12 H14 2.7291 no .
C12 H17 2.6981 no .
C13 H9A 3.3482 no .
C13 H9B 2.6965 no .
C13 H9C 2.6703 no .
C13 H10A 2.7467 no .
C13 H10B 3.3753 no .
C13 H10C 2.7184 no .
C13 H11A 2.6670 no .
C13 H11B 3.3411 no .
C13 H11C 2.6751 no .
C13 H15 3.2808 no .
C13 H18 3.2834 no .
C13 H23B 3.4877 no .
C13 H23C 3.4223 no .
C13 H31C 3.5075 no .
C14 H9B 3.5513 no .
C14 H10A 2.8094 no .
C14 H10C 2.7240 no .
C14 H11A 3.4657 no .
C14 H17 3.2534 no .
C14 H23B 3.0511 no .
C14 H23C 3.5685 no .
C14 H31C 3.3573 no .
C15 H18 3.2435 no .
C15 H23B 2.6912 no .
C15 H23C 3.2765 no .
C15 H31C 2.7883 no .
C16 H14 3.2756 no .
C16 H17 3.2612 no .
C16 H23B 2.8260 no .
C16 H23C 2.7785 no .
C16 H31A 3.5948 no .
C16 H31C 2.2769 no .
C17 H9B 3.3210 no .
C17 H9C 2.7387 no .
C17 H11A 3.3077 no .
C17 H11C 2.7623 no .
C17 H14 3.2562 no .
C17 H23C 2.9875 no .
C17 H31C 3.0069 no .
C18 H15 3.2419 no .
C18 H23B 3.3227 no .
C18 H23C 2.6295 no .
C18 H31C 2.3820 no .
C19 H21 2.9114 no .
C19 H32B 3.5314 no .
C20 H32B 3.0211 no .
C21 H19A 3.2188 no .
C21 H19B 3.2120 no .
C21 H19C 2.6994 no .
C21 H23A 2.5749 no .
C21 H23B 3.1410 no .
C21 H23C 3.1419 no .
C21 H32B 3.5572 no .
C23 H21 2.7781 no .
C24 H15 3.3650 no .
C24 H18 3.3605 no .
C24 H21 3.1761 no .
C24 H23A 3.4405 no .
C24 H23B 2.9733 no .
C24 H23C 2.9821 no .
C24 H32B 3.2826 no .
C25 H15 2.6371 no .
C25 H18 2.7003 no .
C25 H23B 3.3709 no .
C25 H23C 3.3697 no .
C25 H31C 2.9414 no .
C26 H28 2.9135 no .
C26 H43B 3.5034 no .
C27 H43B 2.9565 no .
C28 H26A 3.2131 no .
C28 H26B 3.2132 no .
C28 H26C 2.6911 no .
C28 H31A 2.7973 no .
C28 H31B 2.7969 no .
C28 H31C 3.3163 no .
C28 H43B 3.5006 no .
C29 H15 3.2561 no .
C29 H18 3.4477 no .
C29 H28 3.1843 no .
C29 H31A 3.3006 no .
C29 H31B 3.2554 no .
C29 H31C 2.7706 no .
C29 H43B 3.1987 no .
C31 H18 3.4339 no .
C31 H28 2.8052 no .
C32 H19B 3.5242 no .
C32 H34 2.9020 no .
C33 H19B 2.9935 no .
C34 H19B 3.5698 no .
C34 H32A 3.2129 no .
C34 H32B 3.2021 no .
C34 H32C 2.6759 no .
C34 H36A 3.1844 no .
C34 H36B 2.5822 no .
C34 H36C 3.0929 no .
C35 H46 3.5637 no .
C36 H34 2.7839 no .
C36 H46 3.3458 no .
C37 H19B 3.2031 no .
C37 H34 3.1866 no .
C37 H36A 2.9373 no .
C37 H36B 3.4395 no .
C37 H36C 3.0061 no .
C37 H46 3.3267 no .
C37 H47 3.3732 no .
C38 H36A 3.2898 no .
C38 H36C 3.4364 no .
C38 H44A 3.4647 no .
C38 H44B 3.2552 no .
C38 H46 2.7010 no .
C38 H47 2.6472 no .
C39 H26B 3.3158 no .
C39 H41 3.1812 no .
C39 H44A 3.0280 no .
C39 H44B 2.9247 no .
C39 H44C 3.4354 no .
C39 H46 3.4550 no .
C39 H47 3.2878 no .
C40 H47 3.5807 no .
C41 H43A 3.2095 no .
C41 H43B 3.2132 no .
C41 H43C 2.6868 no .
C41 H44A 3.0988 no .
C41 H44B 3.2026 no .
C41 H44C 2.5968 no .
C42 H26B 3.0541 no .
C43 H26B 3.5442 no .
C43 H41 2.9098 no .
C44 H41 2.8005 no .
C44 H47 3.4637 no .
C45 H36A 2.6931 no .
C45 H36C 2.9909 no .
C45 H44A 2.9535 no .
C45 H44B 2.6270 no .
C45 H48 3.2643 no .
C45 H49 3.2854 no .
C46 H36A 3.0194 no .
C46 H36C 2.7214 no .
C46 H44A 3.5955 no .
C46 H44B 2.6707 no .
C46 H47 3.2526 no .
C47 H36A 2.8538 no .
C47 H44A 2.6877 no .
C47 H44B 3.0067 no .
C47 H46 3.2490 no .
C48 H36A 3.3653 no .
C48 H44A 3.0995 no .
C48 H44B 3.3362 no .
C48 H49 3.2542 no .
C48 H52B 3.3447 no .
C48 H52C 2.7392 no .
C48 H54A 3.2974 no .
C48 H54C 2.6881 no .
C49 H36A 3.5051 no .
C49 H36C 3.3612 no .
C49 H44B 3.0567 no .
C49 H48 3.2513 no .
C49 H52B 3.4487 no .
C49 H53B 2.8497 no .
C49 H53C 2.7554 no .
C50 H44B 3.3793 no .
C50 H46 3.2852 no .
C50 H47 3.2970 no .
C50 H52A 3.3353 no .
C50 H52B 2.6779 no .
C50 H52C 2.6555 no .
C50 H53A 3.3753 no .
C50 H53B 2.7460 no .
C50 H53C 2.7250 no .
C50 H54A 2.7132 no .
C50 H54B 3.3484 no .
C50 H54C 2.6663 no .
C51 H48 2.6666 no .
C51 H49 2.7508 no .
C52 H48 2.9356 no .
C52 H53A 2.6520 no .
C52 H53B 3.3353 no .
C52 H53C 2.6684 no .
C52 H54A 3.3535 no .
C52 H54B 2.6745 no .
C52 H54C 2.7044 no .
C53 H49 2.5309 no .
C53 H52A 2.6571 no .
C53 H52B 2.6667 no .
C53 H52C 3.3338 no .
C53 H54A 2.6718 no .
C53 H54B 2.6692 no .
C53 H54C 3.3385 no .
C54 H48 2.8039 no .
C54 H52A 2.6812 no .
C54 H52B 3.3529 no .
C54 H52C 2.6989 no .
C54 H53A 2.6677 no .
C54 H53B 2.6715 no .
C54 H53C 3.3393 no .
C55 H57 2.9055 no .
C55 H73B 3.4097 no 2_656
C56 H73B 2.7601 no 2_656
C57 H55A 3.3704 no .
C57 H55B 2.9195 no .
C57 H55C 2.8267 no .
C57 H60A 2.7974 no .
C57 H60B 2.8037 no .
C57 H60C 3.3219 no .
C57 H73B 3.1402 no 2_656
C58 H57 3.1730 no .
C58 H60A 3.3175 no .
C58 H60B 3.2696 no .
C58 H60C 2.7997 no .
C58 H63 3.0303 no .
C58 H73B 2.9851 no 2_656
C59 H63 3.2363 no .
C59 H73B 3.2774 no 2_656
C60 H57 2.8052 no .
C60 H63 3.2822 no .
C61 H60C 2.9675 no .
C61 H63 2.6574 no .
C61 H65 2.6854 no .
C61 H77C 3.1669 no .
C62 H60C 2.3116 no .
C62 H64 3.2625 no .
C62 H66 3.2672 no .
C62 H77A 3.1257 no .
C62 H77C 2.6331 no .
C63 H60A 3.3701 no .
C63 H60C 2.4639 no .
C63 H65 3.2476 no .
C63 H77C 2.8588 no .
C64 H60C 3.0328 no .
C64 H66 3.2301 no .
C64 H69A 2.6692 no .
C64 H69B 2.9810 no .
C64 H70B 3.1208 no .
C64 H77C 3.2980 no .
C65 H60C 2.7546 no .
C65 H63 3.2489 no .
C65 H77A 2.6946 no .
C65 H77C 2.9043 no .
C66 H60C 3.2612 no .
C66 H64 3.2322 no .
C66 H70A 2.9999 no .
C66 H70B 3.5773 no .
C66 H71A 3.0612 no .
C66 H71B 2.6748 no .
C66 H77A 3.1092 no .
C66 H77C 3.3384 no .
C67 H60C 3.4305 no .
C67 H63 3.2799 no .
C67 H65 3.2823 no .
C67 H69A 2.7196 no .
C67 H69B 2.7209 no .
C67 H69C 3.3659 no .
C67 H70A 2.6675 no .
C67 H70B 2.6667 no .
C67 H70C 3.3362 no .
C67 H71A 2.7281 no .
C67 H71B 2.7322 no .
C67 H71C 3.3733 no .
C67 H77C 3.5367 no .
C68 H64 2.7039 no .
C68 H66 2.6827 no .
C69 H64 2.5514 no .
C69 H70A 3.3537 no .
C69 H70B 2.6950 no .
C69 H70C 2.6789 no .
C69 H71A 2.7035 no .
C69 H71B 3.3453 no .
C69 H71C 2.6503 no .
C70 H64 3.4440 no .
C70 H66 3.2963 no .
C70 H69A 2.6745 no .
C70 H69B 3.3566 no .
C70 H69C 2.6914 no .
C70 H71A 3.3626 no .
C70 H71B 2.6799 no .
C70 H71C 2.7010 no .
C71 H66 2.5982 no .
C71 H69A 3.3470 no .
C71 H69B 2.6993 no .
C71 H69C 2.6504 no .
C71 H70A 2.7011 no .
C71 H70B 3.3611 no .
C71 H70C 2.6836 no .
C72 H55A 3.3220 no 2_656
C72 H65 3.0342 no .
C72 H75 3.1785 no .
C72 H77A 3.1126 no .
C72 H77B 3.4097 no .
C72 H77C 2.8626 no .
C73 H75 2.9029 no .
C74 H55A 3.5148 no 2_656
C74 H55B 3.2089 no 2_656
C75 H55B 3.5510 no 2_656
C75 H73A 3.2089 no .
C75 H73B 3.2135 no .
C75 H73C 2.6794 no .
C75 H77A 3.0204 no .
C75 H77B 2.6025 no .
C75 H77C 3.2354 no .
C76 H65 3.2169 no .
C77 H65 3.2420 no .
C77 H75 2.7840 no .
H9A H10A 2.9068 no .
H9A H10B 2.4654 no .
H9A H10C 3.5545 no .
H9A H11A 3.5939 no .
H9A H11B 2.5236 no .
H9A H11C 2.9640 no .
H9B H10A 2.4472 no .
H9B H10B 2.9556 no .
H9B H10C 3.5488 no .
H9B H11B 3.5976 no .
H9B H11C 3.5897 no .
H9B H17 3.2787 no .
H9C H10A 3.5401 no .
H9C H10B 3.5553 no .
H9C H11A 3.5935 no .
H9C H11B 3.0060 no .
H9C H11C 2.5163 no .
H9C H17 2.2714 no .
H10A H11A 3.5959 no .
H10A H11B 3.5447 no .
H10A H14 2.2946 no .
H10B H11A 2.9649 no .
H10B H11B 2.4415 no .
H10B H11C 3.5418 no .
H10B H14 3.4523 no .
H10C H11A 2.5279 no .
H10C H11B 2.9454 no .
H10C H11C 3.5897 no .
H10C H14 2.2211 no .
H11A H17 3.4025 no .
H11C H17 2.4111 no .
H14 H15 2.3277 no .
H14 H23B 3.5169 no .
H15 H23B 2.9804 no .
H15 H31C 3.2781 no .
H17 H18 2.3164 no .
H17 H23C 3.4670 no .
H17 H31C 3.5726 no .
H18 H23C 2.9203 no .
H18 H31B 3.5829 no .
H18 H31C 2.6909 no .
H19A H21 3.5611 no .
H19B H21 3.5581 no .
H19B H32B 3.0315 no .
H19C H21 2.6627 no .
H21 H23A 2.4742 no .
H21 H23B 3.4389 no .
H21 H23C 3.4303 no .
H26A H28 3.5633 no .
H26B H28 3.5606 no .
H26B H43B 3.0275 no .
H26C H28 2.6599 no .
H28 H31A 2.8535 no .
H28 H31B 2.8779 no .
H32A H34 3.5603 no .
H32B H34 3.5430 no .
H32C H34 2.6395 no .
H34 H36A 3.5082 no .
H34 H36B 2.4916 no .
H34 H36C 3.3644 no .
H36A H46 3.4370 no .
H36A H47 3.1842 no .
H36C H46 2.6921 no .
H41 H43A 3.5559 no .
H41 H43B 3.5613 no .
H41 H43C 2.6537 no .
H41 H44A 3.3664 no .
H41 H44B 3.5353 no .
H41 H44C 2.5134 no .
H44A H47 2.8489 no .
H44A H48 3.4606 no .
H44B H46 3.0599 no .
H44B H47 3.5567 no .
H46 H49 2.3260 no .
H47 H48 2.3232 no .
H48 H52B 3.4202 no .
H48 H52C 2.3788 no .
H48 H54A 3.2451 no .
H48 H54C 2.2077 no .
H49 H53A 3.4966 no .
H49 H53B 2.3654 no .
H49 H53C 2.2421 no .
H52A H53A 2.4534 no .
H52A H53B 3.5524 no .
H52A H53C 2.9457 no .
H52A H54A 3.5704 no .
H52A H54B 2.4793 no .
H52A H54C 2.9813 no .
H52B H53A 2.9356 no .
H52B H53B 3.5674 no .
H52B H53C 2.4811 no .
H52B H54B 3.5678 no .
H52B H54C 3.5987 no .
H52C H53A 3.5488 no .
H52C H53C 3.5657 no .
H52C H54A 3.5980 no .
H52C H54B 2.9631 no .
H52C H54C 2.5302 no .
H53A H54A 2.9505 no .
H53A H54B 2.4765 no .
H53A H54C 3.5634 no .
H53B H54A 2.4834 no .
H53B H54B 2.9524 no .
H53B H54C 3.5676 no .
H53C H54A 3.5688 no .
H53C H54B 3.5650 no .
H55B H57 3.0674 no .
H55B H73B 3.1278 no 2_656
H55C H57 2.8942 no .
H57 H60A 2.8455 no .
H57 H60B 2.8845 no .
H60A H63 3.3176 no .
H60C H63 2.8267 no .
H60C H65 3.2524 no .
H63 H64 2.3237 no .
H63 H77C 3.2776 no .
H64 H69A 2.0639 no .
H64 H69B 2.6457 no .
H64 H69C 3.4849 no .
H64 H70B 3.0872 no .
H65 H66 2.3149 no .
H65 H77A 2.7295 no .
H65 H77C 3.3393 no .
H66 H70A 2.8796 no .
H66 H71A 2.7891 no .
H66 H71B 2.0656 no .
H66 H71C 3.5096 no .
H66 H77A 3.3928 no .
H69A H70A 3.5756 no .
H69A H70B 2.4955 no .
H69A H70C 2.9402 no .
H69A H71C 3.5418 no .
H69B H70B 3.5860 no .
H69B H70C 3.5817 no .
H69B H71A 2.5401 no .
H69B H71C 2.9524 no .
H69C H70A 3.5806 no .
H69C H70B 2.9890 no .
H69C H70C 2.4961 no .
H69C H71A 2.9589 no .
H69C H71B 3.5391 no .
H69C H71C 2.4305 no .
H70A H71A 3.5904 no .
H70A H71B 2.5010 no .
H70A H71C 2.9989 no .
H70B H71B 3.5820 no .
H70B H71C 3.5897 no .
H70C H71A 3.5871 no .
H70C H71B 2.9418 no .
H70C H71C 2.5047 no .
H73A H75 3.5526 no .
H73B H75 3.5530 no .
H73C H75 2.6405 no .
H75 H77A 3.2327 no .
H75 H77B 2.5369 no .
H75 H77C 3.5969 no .
N3 H53C 3.5166 no 4_555
N4 H54A 3.5563 no 4_565
N4 H54C 3.5030 no 4_565
N5 H71B 3.3089 no 4_564
N6 H69A 3.4980 no 4_554
N6 H69B 3.5161 no 4_554
N7 H11B 3.4333 no 6_556
N7 H11C 3.3191 no 6_556
N8 H10A 3.1275 no 6_546
C9 H19C 3.5582 no 4_555
C9 H21 3.0204 no 4_555
C9 H32A 3.2958 no 6_546
C10 H36B 3.4361 no 7_556
C10 H43A 3.0126 no 6_556
C10 H69C 3.4679 no 7_557
C10 H77B 3.2161 no 6_546
C11 H32A 3.3214 no 6_546
C11 H77B 3.3214 no 6_546
C14 H18 3.3544 no 6_556
C14 H23C 3.0692 no 6_556
C14 H34 3.5393 no 7_556
C15 H17 3.5364 no 6_556
C15 H23C 3.1550 no 6_556
C15 H34 3.5365 no 7_556
C17 H15 3.0775 no 6_546
C18 H14 3.2125 no 6_546
C18 H15 3.3505 no 6_546
C18 H34 3.5425 no 4_555
C19 H9B 3.4080 no 4_554
C19 H21 3.1404 no 7_546
C19 H23A 3.5339 no 7_546
C19 H31A 3.5674 no 4_554
C19 H31B 3.3945 no 4_554
C19 H31C 3.4808 no 4_554
C19 H69A 3.4103 no 4_554
C19 H69C 3.4571 no 4_554
C20 H9B 3.4053 no 4_554
C20 H9B 3.4351 no 6_546
C20 H10A 3.0943 no 6_546
C20 H21 3.4116 no 7_546
C21 H9A 3.5950 no 4_554
C21 H9B 2.9251 no 4_554
C21 H9B 3.0081 no 6_546
C21 H9C 3.3875 no 4_554
C21 H10A 3.1104 no 6_546
C21 H19C 3.1353 no 7_546
C21 H21 3.0597 no 7_546
C22 H10A 3.1713 no 6_546
C22 H14 3.5725 no 6_546
C23 H14 3.5765 no 6_546
C23 H19C 3.5270 no 7_546
C23 H31A 3.1896 no 6_546
C23 H70B 3.3689 no 6_546
C23 H70C 3.2860 no 6_546
C24 H10A 3.1626 no 6_546
C26 H11B 3.5353 no 6_556
C26 H49 3.4944 no 4_555
C26 H55A 3.5221 no 2_656
C26 H55B 3.1068 no 2_656
C26 H55C 3.5555 no 2_656
C26 H71A 3.5378 no 4_564
C26 H71C 3.5966 no 4_564
C26 H77C 3.4591 no .
C27 H11A 3.4998 no 6_556
C27 H11B 3.2086 no 6_556
C27 H11C 3.5781 no 6_556
C27 H49 3.3655 no 4_555
C27 H77C 3.5947 no .
C28 H11A 3.1805 no 6_556
C28 H11B 3.5512 no 6_556
C28 H46 2.9378 no 4_555
C28 H49 3.1542 no 4_555
C28 H77C 3.1629 no .
C29 H11C 3.2252 no 6_556
C30 H11A 3.3087 no 6_556
C30 H11C 3.4771 no 6_556
C30 H36C 3.4707 no 4_555
C30 H46 3.1129 no 4_555
C31 H19B 3.3293 no 4_555
C31 H19C 3.4830 no 4_555
C31 H23A 3.3135 no 6_556
C31 H36C 3.5569 no 4_555
C31 H46 3.0299 no 4_555
C31 H70B 3.2438 no .
C32 H9C 3.4154 no 6_556
C32 H32B 3.4604 no 7_556
C32 H32C 3.1769 no 7_556
C33 H71B 3.5121 no 4_564
C34 H17 3.4788 no 4_554
C34 H18 3.1225 no 4_554
C34 H70A 2.8856 no 4_564
C34 H70C 3.5510 no 4_564
C34 H71B 3.5624 no 4_564
C35 H18 3.4011 no 4_554
C35 H31B 3.5567 no 4_554
C35 H70A 3.1509 no 4_564
C35 H71B 3.3629 no 4_564
C36 H10C 3.4540 no 7_556
C36 H18 3.3569 no 4_554
C36 H43B 3.5496 no 4_554
C36 H70A 3.4456 no 4_564
C36 H77A 3.3354 no 4_564
C37 H31B 3.4876 no 4_554
C37 H71B 3.1947 no 4_564
C38 H31B 3.5722 no 4_554
C39 H69A 3.3992 no 4_554
C40 H55C 3.5040 no 2_656
C40 H64 3.4607 no 4_554
C40 H69A 3.5930 no 4_554
C40 H69B 3.2753 no 4_554
C41 H53B 2.9970 no 4_555
C41 H54A 3.2296 no 4_555
C41 H69B 2.9573 no 4_554
C41 H73C 3.2624 no 1_545
C41 H75 3.1519 no 1_545
C42 H53B 3.1746 no 4_555
C42 H69B 3.1310 no 4_554
C42 H75 3.4704 no 1_545
C43 H10B 3.5515 no 6_546
C43 H36C 3.3512 no 4_555
C43 H53B 3.3421 no 4_555
C43 H54A 3.4748 no 4_555
C43 H75 3.4309 no 1_545
C44 H52A 3.2344 no 3_656
C44 H52C 3.1785 no 3_656
C44 H60A 3.1460 no 4_554
C44 H64 3.4171 no 4_554
C44 H73C 3.4053 no 1_545
C46 H28 3.4082 no 4_554
C46 H31B 3.1365 no 4_554
C46 H63 3.2243 no 4_554
C46 H64 3.1029 no 4_554
C47 H57 2.9390 no 2_656
C47 H65 3.1752 no 4_564
C47 H66 2.9537 no 4_564
C48 H57 2.9274 no 2_656
C48 H65 2.8625 no 4_564
C49 H28 3.5342 no 4_554
C49 H43B 3.3252 no 4_554
C49 H43C 3.5951 no 4_554
C49 H63 2.9094 no 4_554
C52 H44A 3.0976 no 3_656
C52 H44C 3.1758 no 3_656
C53 H41 3.5455 no 4_554
C53 H55A 3.0885 no 3_656
C53 H55C 3.2892 no 3_656
C54 H41 3.2502 no 4_554
C54 H43C 3.5514 no 4_554
C54 H54B 3.5898 no 2_655
C54 H73A 3.4007 no 3_666
C55 H26B 3.1980 no 2_656
C55 H26C 3.2960 no 2_656
C55 H53A 3.3266 no 3_656
C55 H53B 3.5987 no 3_656
C55 H53C 3.4318 no 3_656
C56 H52B 3.3526 no 4_555
C57 H47 3.2551 no 2_656
C57 H48 3.2655 no 2_656
C57 H52B 3.1231 no 4_555
C58 H53C 3.5879 no 4_555
C58 H60B 3.3331 no 3_667
C59 H52B 3.4133 no 4_555
C59 H60B 2.9840 no 3_667
C60 H44C 3.3601 no 4_555
C60 H60B 2.9441 no 3_667
C60 H73A 3.5062 no 4_565
C60 H73B 3.1266 no 4_565
C60 H73C 3.1936 no 4_565
C63 H28 3.0259 no .
C63 H44B 3.2796 no 4_555
C63 H49 3.4369 no 4_555
C64 H28 3.0413 no .
C64 H44B 3.2050 no 4_555
C64 H46 3.3338 no 4_555
C65 H47 3.4342 no 4_565
C65 H48 3.3155 no 4_565
C66 H36A 3.4080 no 4_565
C66 H47 3.1351 no 4_565
C69 H10B 3.4819 no 7_557
C69 H19A 2.9395 no 4_555
C69 H75 3.1943 no 4_565
C70 H23A 3.1387 no 6_556
C70 H23B 3.3570 no 6_556
C70 H31A 3.3020 no .
C70 H34 3.5335 no 4_565
C71 H26A 2.8856 no 4_565
C71 H75 3.3580 no 4_565
C72 H26C 3.4628 no .
C72 H54C 3.4365 no 4_565
C73 H41 3.1418 no 1_565
C73 H44C 3.2708 no 1_565
C73 H60A 3.2613 no 4_564
C73 H60B 3.2270 no 4_564
C73 H60C 3.3203 no 4_564
C74 H41 3.2557 no 1_565
C74 H54A 3.2507 no 4_565
C74 H71A 3.5879 no 4_564
C75 H41 3.0620 no 1_565
C75 H43C 3.2974 no 1_565
C75 H54A 3.1490 no 4_565
C75 H69B 3.2781 no 4_564
C75 H71A 3.0187 no 4_564
C76 H26C 3.1569 no .
C76 H43C 3.5800 no 1_565
C76 H54A 3.3842 no 4_565
C77 H10C 3.5607 no 6_556
C77 H26C 3.1923 no .
C77 H28 3.4421 no .
C77 H43C 3.5244 no 1_565
H9A C21 3.5950 no 4_555
H9A H21 3.0926 no 4_555
H9A H32A 3.0238 no 6_546
H9A H32C 3.5860 no 6_546
H9A H69C 2.9177 no 7_557
H9A H70C 2.7493 no 7_557
H9A H71C 3.0011 no 7_557
H9B C19 3.4080 no 4_555
H9B C20 3.4053 no 4_555
H9B C20 3.4351 no 6_556
H9B C21 2.9251 no 4_555
H9B C21 3.0081 no 6_556
H9B H19B 3.5939 no 4_555
H9B H19C 2.7983 no 4_555
H9B H19C 3.4632 no 6_556
H9B H21 2.3382 no 4_555
H9B H21 2.7394 no 6_556
H9C C21 3.3875 no 4_555
H9C C32 3.4154 no 6_546
H9C H19B 3.5488 no 4_555
H9C H19C 3.4736 no 4_555
H9C H21 3.1942 no 4_555
H9C H32A 2.7699 no 6_546
H9C H32B 3.0838 no 4_555
H9C H32C 3.5910 no 4_555
H9C H32C 3.1880 no 6_546
H10A N8 3.1275 no 6_556
H10A C20 3.0943 no 6_556
H10A C21 3.1104 no 6_556
H10A C22 3.1713 no 6_556
H10A C24 3.1626 no 6_556
H10A H21 3.5596 no 6_556
H10A H43A 2.9224 no 6_556
H10B C43 3.5515 no 6_556
H10B C69 3.4819 no 7_557
H10B H43A 2.6402 no 6_556
H10B H69B 3.5929 no 7_557
H10B H69C 2.5938 no 7_557
H10B H71C 3.3242 no 7_557
H10B H77B 2.7358 no 6_546
H10C C36 3.4540 no 7_556
H10C C77 3.5607 no 6_546
H10C H36B 2.5279 no 7_556
H10C H43A 2.9703 no 6_556
H10C H77A 3.4001 no 6_546
H10C H77B 2.8798 no 6_546
H11A C27 3.4998 no 6_546
H11A C28 3.1805 no 6_546
H11A C30 3.3087 no 6_546
H11A H28 3.4001 no 6_546
H11A H31A 3.5067 no 6_546
H11A H77B 3.0136 no 6_546
H11A H77C 3.4647 no 6_546
H11B N7 3.4333 no 6_546
H11B C26 3.5353 no 6_546
H11B C27 3.2086 no 6_546
H11B C28 3.5512 no 6_546
H11B H26A 3.0275 no 6_546
H11B H32A 3.0816 no 6_546
H11B H71C 2.7473 no 7_557
H11B H77B 2.8444 no 6_546
H11C N7 3.3191 no 6_546
H11C C27 3.5781 no 6_546
H11C C29 3.2252 no 6_546
H11C C30 3.4771 no 6_546
H11C H15 2.9969 no 6_546
H11C H32A 2.7727 no 6_546
H14 C18 3.2125 no 6_556
H14 C22 3.5725 no 6_556
H14 C23 3.5765 no 6_556
H14 H18 2.5806 no 6_556
H14 H23C 2.8521 no 6_556
H14 H34 3.1408 no 7_556
H14 H36B 3.1695 no 7_556
H15 C17 3.0775 no 6_556
H15 C18 3.3505 no 6_556
H15 H11C 2.9969 no 6_556
H15 H17 2.6260 no 6_556
H15 H18 3.1208 no 6_556
H15 H23C 3.0073 no 6_556
H15 H34 3.1292 no 7_556
H17 C15 3.5364 no 6_546
H17 C34 3.4788 no 4_555
H17 H15 2.6260 no 6_546
H17 H19B 3.5821 no 4_555
H17 H32B 3.5867 no 4_555
H17 H32C 3.3710 no 4_555
H17 H34 3.1685 no 4_555
H18 C14 3.3544 no 6_546
H18 C34 3.1225 no 4_555
H18 C35 3.4011 no 4_555
H18 C36 3.3569 no 4_555
H18 H14 2.5806 no 6_546
H18 H15 3.1208 no 6_546
H18 H34 2.8021 no 4_555
H18 H36B 3.0766 no 4_555
H18 H36C 3.1242 no 4_555
H19A C69 2.9395 no 4_554
H19A H21 3.4921 no 7_546
H19A H23A 3.5538 no 7_546
H19A H31A 3.4041 no 4_554
H19A H31B 3.2341 no 4_554
H19A H69A 2.4899 no 4_554
H19A H69B 3.5450 no 4_554
H19A H69C 2.5238 no 4_554
H19B C31 3.3293 no 4_554
H19B H9B 3.5939 no 4_554
H19B H9C 3.5488 no 4_554
H19B H17 3.5821 no 4_554
H19B H31A 3.4815 no 4_554
H19B H31B 2.9422 no 4_554
H19B H31C 3.0398 no 4_554
H19C C9 3.5582 no 4_554
H19C C21 3.1353 no 7_546
H19C C23 3.5270 no 7_546
H19C C31 3.4830 no 4_554
H19C H9B 2.7983 no 4_554
H19C H9B 3.4632 no 6_546
H19C H9C 3.4736 no 4_554
H19C H21 2.3225 no 7_546
H19C H23A 2.7085 no 7_546
H19C H31A 3.2311 no 4_554
H19C H31B 3.4648 no 4_554
H19C H31C 3.1809 no 4_554
H21 C9 3.0204 no 4_554
H21 C19 3.1404 no 7_546
H21 C20 3.4116 no 7_546
H21 C21 3.0597 no 7_546
H21 H9A 3.0926 no 4_554
H21 H9B 2.3382 no 4_554
H21 H9B 2.7394 no 6_546
H21 H9C 3.1942 no 4_554
H21 H10A 3.5596 no 6_546
H21 H19A 3.4921 no 7_546
H21 H19C 2.3225 no 7_546
H21 H21 2.3730 no 7_546
H23A C19 3.5339 no 7_546
H23A C31 3.3135 no 6_546
H23A C70 3.1387 no 6_546
H23A H19A 3.5538 no 7_546
H23A H19C 2.7085 no 7_546
H23A H31A 2.5163 no 6_546
H23A H31C 3.2789 no 6_546
H23A H70A 3.5811 no 6_546
H23A H70B 2.7276 no 6_546
H23A H70C 2.7132 no 6_546
H23B C70 3.3570 no 6_546
H23B H31A 3.5469 no 6_546
H23B H34 3.1476 no 7_556
H23B H70A 3.3512 no 6_546
H23B H70B 3.1663 no 6_546
H23B H70C 2.9994 no 6_546
H23C C14 3.0692 no 6_546
H23C C15 3.1550 no 6_546
H23C H14 2.8521 no 6_546
H23C H15 3.0073 no 6_546
H23C H31A 3.0893 no 6_546
H23C H31C 3.4908 no 6_546
H26A C71 2.8856 no 4_564
H26A H11B 3.0275 no 6_556
H26A H55B 3.0022 no 2_656
H26A H71A 2.6913 no 4_564
H26A H71B 2.8438 no 4_564
H26A H71C 2.6312 no 4_564
H26A H77B 3.4525 no .
H26B C55 3.1980 no 2_656
H26B H49 3.3391 no 4_555
H26B H53B 2.9132 no 4_555
H26B H53C 3.4959 no 4_555
H26B H55A 3.2284 no 2_656
H26B H55B 2.9079 no 2_656
H26B H55C 2.9267 no 2_656
H26C C55 3.2960 no 2_656
H26C C72 3.4628 no .
H26C C76 3.1569 no .
H26C C77 3.1923 no .
H26C H49 3.2254 no 4_555
H26C H53B 3.5621 no 4_555
H26C H53C 3.4145 no 4_555
H26C H55A 3.0137 no 2_656
H26C H55B 2.8807 no 2_656
H26C H55C 3.4824 no 2_656
H26C H77B 3.2146 no .
H26C H77C 2.7531 no .
H28 C46 3.4082 no 4_555
H28 C49 3.5342 no 4_555
H28 C63 3.0259 no .
H28 C64 3.0413 no .
H28 C77 3.4421 no .
H28 H11A 3.4001 no 6_556
H28 H46 2.6994 no 4_555
H28 H49 2.9578 no 4_555
H28 H63 2.9550 no .
H28 H64 2.9769 no .
H28 H70B 3.4615 no .
H28 H77C 2.5265 no .
H31A C19 3.5674 no 4_555
H31A C23 3.1896 no 6_556
H31A C70 3.3020 no .
H31A H11A 3.5067 no 6_556
H31A H19A 3.4041 no 4_555
H31A H19B 3.4815 no 4_555
H31A H19C 3.2311 no 4_555
H31A H23A 2.5163 no 6_556
H31A H23B 3.5469 no 6_556
H31A H23C 3.0893 no 6_556
H31A H46 3.5272 no 4_555
H31A H69A 3.3028 no .
H31A H70B 2.3596 no .
H31A H70C 3.5481 no .
H31B C19 3.3945 no 4_555
H31B C35 3.5567 no 4_555
H31B C37 3.4876 no 4_555
H31B C38 3.5722 no 4_555
H31B C46 3.1365 no 4_555
H31B H19A 3.2341 no 4_555
H31B H19B 2.9422 no 4_555
H31B H19C 3.4648 no 4_555
H31B H36C 3.0529 no 4_555
H31B H46 2.2597 no 4_555
H31B H64 3.3749 no .
H31B H69A 3.1717 no .
H31B H70B 3.4040 no .
H31C C19 3.4808 no 4_555
H31C H19B 3.0398 no 4_555
H31C H19C 3.1809 no 4_555
H31C H23A 3.2789 no 6_556
H31C H23C 3.4908 no 6_556
H32A C9 3.2958 no 6_556
H32A C11 3.3214 no 6_556
H32A H9A 3.0238 no 6_556
H32A H9C 2.7699 no 6_556
H32A H11B 3.0816 no 6_556
H32A H11C 2.7727 no 6_556
H32A H32C 3.3592 no 7_556
H32A H71C 3.5201 no 4_564
H32B C32 3.4604 no 7_556
H32B H9C 3.0838 no 4_554
H32B H17 3.5867 no 4_554
H32B H32B 3.4863 no 7_556
H32B H32C 2.7770 no 7_556
H32C C32 3.1769 no 7_556
H32C H9A 3.5860 no 6_556
H32C H9C 3.5910 no 4_554
H32C H9C 3.1880 no 6_556
H32C H17 3.3710 no 4_554
H32C H32A 3.3592 no 7_556
H32C H32B 2.7770 no 7_556
H32C H32C 2.8966 no 7_556
H34 C14 3.5393 no 7_556
H34 C15 3.5365 no 7_556
H34 C18 3.5425 no 4_554
H34 C70 3.5335 no 4_564
H34 H14 3.1408 no 7_556
H34 H15 3.1292 no 7_556
H34 H17 3.1685 no 4_554
H34 H18 2.8021 no 4_554
H34 H23B 3.1476 no 7_556
H34 H70A 2.8071 no 4_564
H34 H70C 3.4010 no 4_564
H36A C66 3.4080 no 4_564
H36A H43C 3.3036 no 4_554
H36A H65 3.4719 no 4_564
H36A H66 2.8970 no 4_564
H36A H70A 3.4117 no 4_564
H36A H77A 2.7150 no 4_564
H36B C10 3.4361 no 7_556
H36B H10C 2.5279 no 7_556
H36B H14 3.1695 no 7_556
H36B H18 3.0766 no 4_554
H36B H43A 3.4121 no 4_554
H36B H70A 3.1781 no 4_564
H36B H77A 3.0748 no 4_564
H36C C30 3.4707 no 4_554
H36C C31 3.5569 no 4_554
H36C C43 3.3512 no 4_554
H36C H18 3.1242 no 4_554
H36C H31B 3.0529 no 4_554
H36C H43A 3.3375 no 4_554
H36C H43B 2.8669 no 4_554
H36C H43C 3.3111 no 4_554
H41 C53 3.5455 no 4_555
H41 C54 3.2502 no 4_555
H41 C73 3.1418 no 1_545
H41 C74 3.2557 no 1_545
H41 C75 3.0620 no 1_545
H41 H53A 3.5202 no 4_555
H41 H53B 2.8620 no 4_555
H41 H54A 2.4872 no 4_555
H41 H54B 3.2255 no 4_555
H41 H69B 3.1854 no 4_554
H41 H73A 3.0929 no 1_545
H41 H73C 2.6828 no 1_545
H41 H75 2.7290 no 1_545
H43A C10 3.0126 no 6_546
H43A H10A 2.9224 no 6_546
H43A H10B 2.6402 no 6_546
H43A H10C 2.9703 no 6_546
H43A H36B 3.4121 no 4_555
H43A H36C 3.3375 no 4_555
H43A H69B 3.5496 no 4_554
H43A H69C 3.4522 no 4_554
H43A H75 3.4303 no 1_545
H43A H77B 3.5528 no 1_545
H43B C36 3.5496 no 4_555
H43B C49 3.3252 no 4_555
H43B H36C 2.8669 no 4_555
H43B H49 3.0299 no 4_555
H43B H53B 3.1888 no 4_555
H43C C49 3.5951 no 4_555
H43C C54 3.5514 no 4_555
H43C C75 3.2974 no 1_545
H43C C76 3.5800 no 1_545
H43C C77 3.5244 no 1_545
H43C H36A 3.3036 no 4_555
H43C H36C 3.3111 no 4_555
H43C H49 3.5828 no 4_555
H43C H53B 3.1183 no 4_555
H43C H54A 2.6540 no 4_555
H43C H75 2.9329 no 1_545
H43C H77A 3.0840 no 1_545
H43C H77B 3.4343 no 1_545
H44A C52 3.0976 no 3_656
H44A H52A 2.8100 no 3_656
H44A H52B 3.1472 no 3_656
H44A H52C 2.8214 no 3_656
H44A H55C 3.0610 no 2_656
H44A H57 3.2934 no 2_656
H44A H60A 3.5750 no 4_554
H44B C63 3.2796 no 4_554
H44B C64 3.2050 no 4_554
H44B H60A 2.9968 no 4_554
H44B H63 2.8849 no 4_554
H44B H64 2.7367 no 4_554
H44C C52 3.1758 no 3_656
H44C C60 3.3601 no 4_554
H44C C73 3.2708 no 1_545
H44C H52A 2.8234 no 3_656
H44C H52C 2.6690 no 3_656
H44C H60A 2.4843 no 4_554
H44C H60C 3.4554 no 4_554
H44C H73A 3.0289 no 1_545
H44C H73C 2.6310 no 1_545
H46 C28 2.9378 no 4_554
H46 C30 3.1129 no 4_554
H46 C31 3.0299 no 4_554
H46 C64 3.3338 no 4_554
H46 H28 2.6994 no 4_554
H46 H31A 3.5272 no 4_554
H46 H31B 2.2597 no 4_554
H46 H63 3.1498 no 4_554
H46 H64 2.6023 no 4_554
H46 H69A 3.5576 no 4_554
H47 C57 3.2551 no 2_656
H47 C65 3.4342 no 4_564
H47 C66 3.1351 no 4_564
H47 H55B 3.3617 no 2_656
H47 H55C 3.2469 no 2_656
H47 H57 2.4194 no 2_656
H47 H65 3.0014 no 4_564
H47 H66 2.3758 no 4_564
H47 H71B 3.3488 no 4_564
H48 C57 3.2655 no 2_656
H48 C65 3.3155 no 4_564
H48 H57 2.3781 no 2_656
H48 H60A 3.3043 no 2_656
H48 H60B 3.4985 no 2_656
H48 H65 2.4295 no 4_564
H49 C26 3.4944 no 4_554
H49 C27 3.3655 no 4_554
H49 C28 3.1542 no 4_554
H49 C63 3.4369 no 4_554
H49 H26B 3.3391 no 4_554
H49 H26C 3.2254 no 4_554
H49 H28 2.9578 no 4_554
H49 H43B 3.0299 no 4_554
H49 H43C 3.5828 no 4_554
H49 H63 2.5884 no 4_554
H52A C44 3.2344 no 3_656
H52A H44A 2.8100 no 3_656
H52A H44C 2.8234 no 3_656
H52A H53A 2.8925 no 2_655
H52A H54B 3.5602 no 2_655
H52A H55C 3.2117 no 4_554
H52B C56 3.3526 no 4_554
H52B C57 3.1231 no 4_554
H52B C59 3.4133 no 4_554
H52B H44A 3.1472 no 3_656
H52B H57 3.3086 no 4_554
H52C C44 3.1785 no 3_656
H52C H44A 2.8214 no 3_656
H52C H44C 2.6690 no 3_656
H52C H60A 2.9839 no 2_656
H53A C55 3.3266 no 3_656
H53A H41 3.5202 no 4_554
H53A H52A 2.8925 no 2_655
H53A H53A 2.8970 no 2_655
H53A H55A 2.8689 no 3_656
H53A H55C 2.9218 no 3_656
H53B C41 2.9970 no 4_554
H53B C42 3.1746 no 4_554
H53B C43 3.3421 no 4_554
H53B C55 3.5987 no 3_656
H53B H26B 2.9132 no 4_554
H53B H26C 3.5621 no 4_554
H53B H41 2.8620 no 4_554
H53B H43B 3.1888 no 4_554
H53B H43C 3.1183 no 4_554
H53B H55A 3.2238 no 3_656
H53B H55C 3.0762 no 3_656
H53C N3 3.5166 no 4_554
H53C C55 3.4318 no 3_656
H53C C58 3.5879 no 4_554
H53C H26B 3.4959 no 4_554
H53C H26C 3.4145 no 4_554
H53C H55A 2.6766 no 3_656
H53C H55C 3.3299 no 3_656
H53C H63 3.1752 no 4_554
H54A N4 3.5563 no 4_564
H54A C41 3.2296 no 4_554
H54A C43 3.4748 no 4_554
H54A C74 3.2507 no 4_564
H54A C75 3.1490 no 4_564
H54A C76 3.3842 no 4_564
H54A H41 2.4872 no 4_554
H54A H43C 2.6540 no 4_554
H54A H75 3.4342 no 4_564
H54B C54 3.5898 no 2_655
H54B H41 3.2255 no 4_554
H54B H52A 3.5602 no 2_655
H54B H54B 2.6098 no 2_655
H54B H73A 2.9674 no 3_666
H54B H73A 3.2578 no 4_564
H54C N4 3.5030 no 4_564
H54C C72 3.4365 no 4_564
H54C H65 2.9576 no 4_564
H54C H73A 2.9257 no 3_666
H55A C26 3.5221 no 2_656
H55A C53 3.0885 no 3_656
H55A H26B 3.2284 no 2_656
H55A H26C 3.0137 no 2_656
H55A H53A 2.8689 no 3_656
H55A H53B 3.2238 no 3_656
H55A H53C 2.6766 no 3_656
H55B C26 3.1068 no 2_656
H55B H26A 3.0022 no 2_656
H55B H26B 2.9079 no 2_656
H55B H26C 2.8807 no 2_656
H55B H47 3.3617 no 2_656
H55B H71A 2.9577 no 3_667
H55B H71B 3.5885 no 3_667
H55C C26 3.5555 no 2_656
H55C C40 3.5040 no 2_656
H55C C53 3.2892 no 3_656
H55C H26B 2.9267 no 2_656
H55C H26C 3.4824 no 2_656
H55C H44A 3.0610 no 2_656
H55C H47 3.2469 no 2_656
H55C H52A 3.2117 no 4_555
H55C H53A 2.9218 no 3_656
H55C H53B 3.0762 no 3_656
H55C H53C 3.3299 no 3_656
H57 C47 2.9390 no 2_656
H57 C48 2.9274 no 2_656
H57 H44A 3.2934 no 2_656
H57 H47 2.4194 no 2_656
H57 H48 2.3781 no 2_656
H57 H52B 3.3086 no 4_555
H57 H65 3.2643 no 3_667
H60A C44 3.1460 no 4_555
H60A C73 3.2613 no 4_565
H60A H44A 3.5750 no 4_555
H60A H44B 2.9968 no 4_555
H60A H44C 2.4843 no 4_555
H60A H48 3.3043 no 2_656
H60A H52C 2.9839 no 2_656
H60A H73A 3.1226 no 4_565
H60A H73B 3.1999 no 4_565
H60A H73C 2.9155 no 4_565
H60B C58 3.3331 no 3_667
H60B C59 2.9840 no 3_667
H60B C60 2.9441 no 3_667
H60B C73 3.2270 no 4_565
H60B H48 3.4985 no 2_656
H60B H60B 2.4349 no 3_667
H60B H60C 3.0489 no 3_667
H60B H65 3.4854 no 3_667
H60B H73A 3.2183 no 4_565
H60B H73B 2.7052 no 4_565
H60B H73C 3.2427 no 4_565
H60C C73 3.3203 no 4_565
H60C H44C 3.4554 no 4_555
H60C H60B 3.0489 no 3_667
H60C H73B 2.9642 no 4_565
H60C H73C 2.8941 no 4_565
H63 C46 3.2243 no 4_555
H63 C49 2.9094 no 4_555
H63 H28 2.9550 no .
H63 H44B 2.8849 no 4_555
H63 H46 3.1498 no 4_555
H63 H49 2.5884 no 4_555
H63 H53C 3.1752 no 4_555
H64 C40 3.4607 no 4_555
H64 C44 3.4171 no 4_555
H64 C46 3.1029 no 4_555
H64 H28 2.9769 no .
H64 H31B 3.3749 no .
H64 H44B 2.7367 no 4_555
H64 H46 2.6023 no 4_555
H65 C47 3.1752 no 4_565
H65 C48 2.8625 no 4_565
H65 H36A 3.4719 no 4_565
H65 H47 3.0014 no 4_565
H65 H48 2.4295 no 4_565
H65 H54C 2.9576 no 4_565
H65 H57 3.2643 no 3_667
H65 H60B 3.4854 no 3_667
H66 C47 2.9537 no 4_565
H66 H36A 2.8970 no 4_565
H66 H47 2.3758 no 4_565
H69A N6 3.4980 no 4_555
H69A C19 3.4103 no 4_555
H69A C39 3.3992 no 4_555
H69A C40 3.5930 no 4_555
H69A H19A 2.4899 no 4_555
H69A H31A 3.3028 no .
H69A H31B 3.1717 no .
H69A H46 3.5576 no 4_555
H69B N6 3.5161 no 4_555
H69B C40 3.2753 no 4_555
H69B C41 2.9573 no 4_555
H69B C42 3.1310 no 4_555
H69B C75 3.2781 no 4_565
H69B H10B 3.5929 no 7_557
H69B H19A 3.5450 no 4_555
H69B H41 3.1854 no 4_555
H69B H43A 3.5496 no 4_555
H69B H73C 3.1507 no 4_565
H69B H75 2.3813 no 4_565
H69C C10 3.4679 no 7_557
H69C C19 3.4571 no 4_555
H69C H9A 2.9177 no 7_557
H69C H10B 2.5938 no 7_557
H69C H19A 2.5238 no 4_555
H69C H43A 3.4522 no 4_555
H69C H75 3.3097 no 4_565
H70A C34 2.8856 no 4_565
H70A C35 3.1509 no 4_565
H70A C36 3.4456 no 4_565
H70A H23A 3.5811 no 6_556
H70A H23B 3.3512 no 6_556
H70A H34 2.8071 no 4_565
H70A H36A 3.4117 no 4_565
H70A H36B 3.1781 no 4_565
H70B C23 3.3689 no 6_556
H70B C31 3.2438 no .
H70B H23A 2.7276 no 6_556
H70B H23B 3.1663 no 6_556
H70B H28 3.4615 no .
H70B H31A 2.3596 no .
H70B H31B 3.4040 no .
H70C C23 3.2860 no 6_556
H70C C34 3.5510 no 4_565
H70C H9A 2.7493 no 7_557
H70C H23A 2.7132 no 6_556
H70C H23B 2.9994 no 6_556
H70C H31A 3.5481 no .
H70C H34 3.4010 no 4_565
H71A C26 3.5378 no 4_565
H71A C74 3.5879 no 4_565
H71A C75 3.0187 no 4_565
H71A H26A 2.6913 no 4_565
H71A H55B 2.9577 no 3_667
H71A H73C 3.4670 no 4_565
H71A H75 2.6044 no 4_565
H71B N5 3.3089 no 4_565
H71B C33 3.5121 no 4_565
H71B C34 3.5624 no 4_565
H71B C35 3.3629 no 4_565
H71B C37 3.1947 no 4_565
H71B H26A 2.8438 no 4_565
H71B H47 3.3488 no 4_565
H71B H55B 3.5885 no 3_667
H71C C26 3.5966 no 4_565
H71C H9A 3.0011 no 7_557
H71C H10B 3.3242 no 7_557
H71C H11B 2.7473 no 7_557
H71C H26A 2.6312 no 4_565
H71C H32A 3.5201 no 4_565
H71C H75 3.4603 no 4_565
H73A C54 3.4007 no 3_666
H73A C60 3.5062 no 4_564
H73A H41 3.0929 no 1_565
H73A H44C 3.0289 no 1_565
H73A H54B 2.9674 no 3_666
H73A H54B 3.2578 no 4_565
H73A H54C 2.9257 no 3_666
H73A H60A 3.1226 no 4_564
H73A H60B 3.2183 no 4_564
H73B C60 3.1266 no 4_564
H73B H60A 3.1999 no 4_564
H73B H60B 2.7052 no 4_564
H73B H60C 2.9642 no 4_564
H73C C41 3.2624 no 1_565
H73C C44 3.4053 no 1_565
H73C C60 3.1936 no 4_564
H73C H41 2.6828 no 1_565
H73C H44C 2.6310 no 1_565
H73C H60A 2.9155 no 4_564
H73C H60B 3.2427 no 4_564
H73C H60C 2.8941 no 4_564
H73C H69B 3.1507 no 4_564
H73C H71A 3.4670 no 4_564
H75 C41 3.1519 no 1_565
H75 C42 3.4704 no 1_565
H75 C43 3.4309 no 1_565
H75 C69 3.1943 no 4_564
H75 C71 3.3580 no 4_564
H75 H41 2.7290 no 1_565
H75 H43A 3.4303 no 1_565
H75 H43C 2.9329 no 1_565
H75 H54A 3.4342 no 4_565
H75 H69B 2.3813 no 4_564
H75 H69C 3.3097 no 4_564
H75 H71A 2.6044 no 4_564
H75 H71C 3.4603 no 4_564
H77A C36 3.3354 no 4_565
H77A H10C 3.4001 no 6_556
H77A H36A 2.7150 no 4_565
H77A H36B 3.0748 no 4_565
H77A H43C 3.0840 no 1_565
H77B C10 3.2161 no 6_556
H77B C11 3.3214 no 6_556
H77B H10B 2.7358 no 6_556
H77B H10C 2.8798 no 6_556
H77B H11A 3.0136 no 6_556
H77B H11B 2.8444 no 6_556
H77B H26A 3.4525 no .
H77B H26C 3.2146 no .
H77B H43A 3.5528 no 1_565
H77B H43C 3.4343 no 1_565
H77C C26 3.4591 no .
H77C C27 3.5947 no .
H77C C28 3.1629 no .
H77C H11A 3.4647 no 6_556
H77C H26C 2.7531 no .
H77C H28 2.5265 no .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N3 Zn1 N3 C56 75.4(3) no . 2_656 2_656
N3 Zn1 N3 C58 -131.2(3) no . 2_656 2_656
N3 Zn1 N3 C56 75.4(3) no 2_656 . .
N3 Zn1 N3 C58 -131.2(3) no 2_656 . .
N3 Zn1 N4 C72 -8.1(3) no . . .
N3 Zn1 N4 C74 -166.6(3) no . . .
N4 Zn1 N3 C56 -165.2(3) no . . .
N4 Zn1 N3 C58 -11.8(3) no . . .
N3 Zn1 N4 C72 122.1(3) no . 2_656 2_656
N3 Zn1 N4 C74 -36.3(4) no . 2_656 2_656
N4 Zn1 N3 C56 -36.5(3) no 2_656 . .
N4 Zn1 N3 C58 116.9(3) no 2_656 . .
N3 Zn1 N4 C72 122.1(3) no 2_656 . .
N3 Zn1 N4 C74 -36.3(4) no 2_656 . .
N4 Zn1 N3 C56 -36.5(3) no . 2_656 2_656
N4 Zn1 N3 C58 116.9(3) no . 2_656 2_656
N3 Zn1 N4 C72 -8.1(3) no 2_656 2_656 2_656
N3 Zn1 N4 C74 -166.6(3) no 2_656 2_656 2_656
N4 Zn1 N3 C56 -165.2(3) no 2_656 2_656 2_656
N4 Zn1 N3 C58 -11.8(3) no 2_656 2_656 2_656
N4 Zn1 N4 C72 -126.9(3) no . 2_656 2_656
N4 Zn1 N4 C74 74.7(4) no . 2_656 2_656
N4 Zn1 N4 C72 -126.9(3) no 2_656 . .
N4 Zn1 N4 C74 74.7(4) no 2_656 . .
N5 Zn2 N6 C39 6.9(3) no . . .
N5 Zn2 N6 C42 175.0(3) no . . .
N6 Zn2 N5 C33 171.6(3) no . . .
N6 Zn2 N5 C37 1.8(3) no . . .
N5 Zn2 N7 C27 -69.2(4) no . . .
N5 Zn2 N7 C29 124.2(3) no . . .
N7 Zn2 N5 C33 -66.9(4) no . . .
N7 Zn2 N5 C37 123.3(3) no . . .
N5 Zn2 N8 C20 41.2(3) no . . .
N5 Zn2 N8 C24 -123.4(3) no . . .
N8 Zn2 N5 C33 46.9(4) no . . .
N8 Zn2 N5 C37 -122.9(3) no . . .
N6 Zn2 N7 C27 44.5(4) no . . .
N6 Zn2 N7 C29 -122.0(3) no . . .
N7 Zn2 N6 C39 -125.6(3) no . . .
N7 Zn2 N6 C42 42.6(4) no . . .
N6 Zn2 N8 C20 -67.7(3) no . . .
N6 Zn2 N8 C24 127.8(3) no . . .
N8 Zn2 N6 C39 124.7(3) no . . .
N8 Zn2 N6 C42 -67.2(3) no . . .
N7 Zn2 N8 C20 173.6(3) no . . .
N7 Zn2 N8 C24 9.0(3) no . . .
N8 Zn2 N7 C27 169.7(3) no . . .
N8 Zn2 N7 C29 3.1(3) no . . .
Zn1 N3 C56 C55 -21.8(6) no . . .
Zn1 N3 C56 C57 156.7(3) no . . .
Zn1 N3 C58 C59 -157.3(2) no . . .
Zn1 N3 C58 C61 22.9(5) no . . .
C56 N3 C58 C59 0.1(5) no . . .
C56 N3 C58 C61 -179.8(4) no . . .
C58 N3 C56 C55 -178.5(4) no . . .
C58 N3 C56 C57 -0.0(5) no . . .
Zn1 N4 C72 C61 19.1(6) no . . .
Zn1 N4 C72 C76 -160.6(3) no . . .
Zn1 N4 C74 C73 -19.9(6) no . . .
Zn1 N4 C74 C75 160.2(3) no . . .
C72 N4 C74 C73 178.6(4) no . . .
C72 N4 C74 C75 -1.3(5) no . . .
C74 N4 C72 C61 -179.2(4) no . . .
C74 N4 C72 C76 1.0(5) no . . .
Zn2 N5 C33 C32 8.0(6) no . . .
Zn2 N5 C33 C34 -171.3(3) no . . .
Zn2 N5 C37 C35 172.2(2) no . . .
Zn2 N5 C37 C38 -8.0(6) no . . .
C33 N5 C37 C35 0.7(5) no . . .
C33 N5 C37 C38 -179.5(4) no . . .
C37 N5 C33 C32 179.2(4) no . . .
C37 N5 C33 C34 -0.0(5) no . . .
Zn2 N6 C39 C38 -10.1(6) no . . .
Zn2 N6 C39 C40 170.4(2) no . . .
Zn2 N6 C42 C41 -170.1(3) no . . .
Zn2 N6 C42 C43 10.1(6) no . . .
C39 N6 C42 C41 -0.3(5) no . . .
C39 N6 C42 C43 179.8(4) no . . .
C42 N6 C39 C38 180.0(4) no . . .
C42 N6 C39 C40 0.5(5) no . . .
Zn2 N7 C27 C26 12.0(6) no . . .
Zn2 N7 C27 C28 -167.9(3) no . . .
Zn2 N7 C29 C25 -12.0(5) no . . .
Zn2 N7 C29 C30 168.7(2) no . . .
C27 N7 C29 C25 179.2(4) no . . .
C27 N7 C29 C30 -0.0(4) no . . .
C29 N7 C27 C26 -179.7(3) no . . .
C29 N7 C27 C28 0.4(5) no . . .
Zn2 N8 C20 C19 12.4(6) no . . .
Zn2 N8 C20 C21 -167.1(3) no . . .
Zn2 N8 C24 C22 166.9(2) no . . .
Zn2 N8 C24 C25 -13.7(6) no . . .
C20 N8 C24 C22 -0.1(5) no . . .
C20 N8 C24 C25 179.3(4) no . . .
C24 N8 C20 C19 179.0(4) no . . .
C24 N8 C20 C21 -0.5(5) no . . .
C9 C12 C13 C14 -122.5(4) no . . .
C9 C12 C13 C17 58.8(5) no . . .
C10 C12 C13 C14 -2.9(6) no . . .
C10 C12 C13 C17 178.4(4) no . . .
C11 C12 C13 C14 117.6(4) no . . .
C11 C12 C13 C17 -61.1(5) no . . .
C12 C13 C14 C15 -174.2(4) no . . .
C12 C13 C17 C18 173.5(4) no . . .
C14 C13 C17 C18 -5.2(6) no . . .
C17 C13 C14 C15 4.5(6) no . . .
C13 C14 C15 C16 -0.3(6) no . . .
C14 C15 C16 C18 -3.3(6) no . . .
C14 C15 C16 C25 173.2(4) no . . .
C15 C16 C18 C17 2.6(6) no . . .
C15 C16 C25 C24 -90.8(5) no . . .
C15 C16 C25 C29 87.4(5) no . . .
C18 C16 C25 C24 85.5(5) no . . .
C18 C16 C25 C29 -96.3(5) no . . .
C25 C16 C18 C17 -173.8(3) no . . .
C13 C17 C18 C16 1.8(6) no . . .
N8 C20 C21 C22 0.8(5) no . . .
C19 C20 C21 C22 -178.6(4) no . . .
C20 C21 C22 C23 178.5(4) no . . .
C20 C21 C22 C24 -0.8(5) no . . .
C21 C22 C24 N8 0.6(5) no . . .
C21 C22 C24 C25 -178.7(4) no . . .
C23 C22 C24 N8 -178.6(5) no . . .
C23 C22 C24 C25 2.1(8) no . . .
N8 C24 C25 C16 -177.6(4) no . . .
N8 C24 C25 C29 4.4(7) no . . .
C22 C24 C25 C16 1.6(6) no . . .
C22 C24 C25 C29 -176.4(4) no . . .
C16 C25 C29 N7 -168.4(4) no . . .
C16 C25 C29 C30 10.7(6) no . . .
C24 C25 C29 N7 9.6(7) no . . .
C24 C25 C29 C30 -171.3(4) no . . .
N7 C27 C28 C30 -0.5(5) no . . .
C26 C27 C28 C30 179.6(4) no . . .
C27 C28 C30 C29 0.5(5) no . . .
C27 C28 C30 C31 176.6(4) no . . .
N7 C29 C30 C28 -0.3(4) no . . .
N7 C29 C30 C31 -176.1(4) no . . .
C25 C29 C30 C28 -179.5(4) no . . .
C25 C29 C30 C31 4.7(7) no . . .
N5 C33 C34 C35 -0.7(5) no . . .
C32 C33 C34 C35 -179.9(4) no . . .
C33 C34 C35 C36 179.5(4) no . . .
C33 C34 C35 C37 1.2(5) no . . .
C34 C35 C37 N5 -1.2(5) no . . .
C34 C35 C37 C38 179.0(4) no . . .
C36 C35 C37 N5 -179.3(5) no . . .
C36 C35 C37 C38 0.9(8) no . . .
N5 C37 C38 C39 6.5(7) no . . .
N5 C37 C38 C45 -173.4(4) no . . .
C35 C37 C38 C39 -173.8(4) no . . .
C35 C37 C38 C45 6.3(7) no . . .
C37 C38 C39 N6 3.2(7) no . . .
C37 C38 C39 C40 -177.4(4) no . . .
C37 C38 C45 C46 -86.6(5) no . . .
C37 C38 C45 C47 94.8(4) no . . .
C39 C38 C45 C46 93.5(4) no . . .
C39 C38 C45 C47 -85.1(5) no . . .
C45 C38 C39 N6 -176.9(4) no . . .
C45 C38 C39 C40 2.5(6) no . . .
N6 C39 C40 C41 -0.4(5) no . . .
N6 C39 C40 C44 179.4(4) no . . .
C38 C39 C40 C41 -179.9(4) no . . .
C38 C39 C40 C44 -0.1(8) no . . .
C39 C40 C41 C42 0.2(5) no . . .
C44 C40 C41 C42 -179.6(4) no . . .
C40 C41 C42 N6 0.1(5) no . . .
C40 C41 C42 C43 179.9(4) no . . .
C38 C45 C46 C49 -176.0(4) no . . .
C38 C45 C47 C48 175.4(3) no . . .
C46 C45 C47 C48 -3.3(6) no . . .
C47 C45 C46 C49 2.7(6) no . . .
C45 C46 C49 C50 -0.1(6) no . . .
C45 C47 C48 C50 1.3(6) no . . .
C47 C48 C50 C49 1.4(6) no . . .
C47 C48 C50 C51 -176.7(4) no . . .
C46 C49 C50 C48 -2.0(6) no . . .
C46 C49 C50 C51 176.0(4) no . . .
C48 C50 C51 C52 63.4(5) no . . .
C48 C50 C51 C53 -177.2(4) no . . .
C48 C50 C51 C54 -56.1(5) no . . .
C49 C50 C51 C52 -114.5(4) no . . .
C49 C50 C51 C53 4.9(6) no . . .
C49 C50 C51 C54 126.0(4) no . . .
N3 C56 C57 C59 -0.1(5) no . . .
C55 C56 C57 C59 178.3(4) no . . .
C56 C57 C59 C58 0.1(5) no . . .
C56 C57 C59 C60 -176.3(4) no . . .
N3 C58 C59 C57 -0.1(5) no . . .
N3 C58 C59 C60 175.8(4) no . . .
N3 C58 C61 C62 167.2(4) no . . .
N3 C58 C61 C72 -12.7(7) no . . .
C59 C58 C61 C62 -12.6(7) no . . .
C59 C58 C61 C72 167.5(4) no . . .
C61 C58 C59 C57 179.7(4) no . . .
C61 C58 C59 C60 -4.3(8) no . . .
C58 C61 C62 C63 -66.4(5) no . . .
C58 C61 C62 C65 116.4(4) no . . .
C58 C61 C72 N4 -10.1(7) no . . .
C58 C61 C72 C76 169.6(4) no . . .
C62 C61 C72 N4 170.0(4) no . . .
C62 C61 C72 C76 -10.3(6) no . . .
C72 C61 C62 C63 113.4(4) no . . .
C72 C61 C62 C65 -63.7(5) no . . .
C61 C62 C63 C64 -176.2(3) no . . .
C61 C62 C65 C66 176.6(3) no . . .
C63 C62 C65 C66 -0.6(6) no . . .
C65 C62 C63 C64 1.0(6) no . . .
C62 C63 C64 C67 -0.0(6) no . . .
C63 C64 C67 C66 -1.3(6) no . . .
C63 C64 C67 C68 173.7(4) no . . .
C62 C65 C66 C67 -0.7(7) no . . .
C65 C66 C67 C64 1.7(6) no . . .
C65 C66 C67 C68 -173.4(4) no . . .
C64 C67 C68 C69 27.7(5) no . . .
C64 C67 C68 C70 -91.5(5) no . . .
C64 C67 C68 C71 149.2(4) no . . .
C66 C67 C68 C69 -157.5(4) no . . .
C66 C67 C68 C70 83.3(5) no . . .
C66 C67 C68 C71 -36.1(5) no . . .
N4 C72 C76 C75 -0.4(5) no . . .
N4 C72 C76 C77 175.6(4) no . . .
C61 C72 C76 C75 179.9(4) no . . .
C61 C72 C76 C77 -4.2(8) no . . .
N4 C74 C75 C76 1.1(6) no . . .
C73 C74 C75 C76 -178.8(5) no . . .
C74 C75 C76 C72 -0.4(5) no . . .
C74 C75 C76 C77 -176.8(4) no . . .
