#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:54:59 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178923 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/52/4115216.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_4115216
loop_
_publ_author_name
'Hiroki Akutsu'
'Akane Akutsu-Sato'
'Scott S. Turner'
'Delphine Le Pevelen'
'Peter Day'
'Vladimir Laukhin'
'Anne-Katrin Klehe'
'John Singleton'
'Derek A. Tocher'
'Michael R. Probert'
'Judith A. K. Howard'
_publ_section_title
;
 Effect of Included Guest Molecules on the Normal State Conductivity and
 Superconductivity of β''-(ET)4[(H3O)Ga(C2O4)3].G (G = Pyridine,
 Nitrobenzene)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12430
_journal_page_last               12431
_journal_paper_doi               10.1021/ja0273849
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C51 H40 Ga N O13 S32'
_chemical_formula_sum            'C51 H40 Ga N O13 S32'
_chemical_formula_weight         1970.48
_chemical_name_common
'bis-ethylene-dithiotetrathiafulvalene pyridine gallium salt'
_chemical_name_systematic
;
bis-ethylene-dithiotetrathiafulvalene pyridine gallium salt
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 92.760(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3605(9)
_cell_length_b                   19.9645(17)
_cell_length_c                   35.428(3)
_cell_measurement_reflns_used    3579
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      25.488
_cell_measurement_theta_min      2.228
_cell_volume                     7319.5(11)
_computing_cell_refinement       'SMART-NT V5.0 (Bruker, 1998)'
_computing_data_collection       'SMART-NT V5.0 (Bruker, 1998)'
_computing_data_reduction        'SMART-NT V5.0 (Bruker, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      290(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD 6K area detector'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0793
_diffrn_reflns_av_sigmaI/netI    0.1020
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            34778
_diffrn_reflns_theta_full        26.90
_diffrn_reflns_theta_max         26.90
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    1.349
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (G.M.Sheldrick, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_description       needle
_exptl_crystal_F_000             4000
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.793
_refine_diff_density_min         -1.109
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.840
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         7895
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.840
_refine_ls_R_factor_all          0.1184
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0643P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1358
_reflns_number_gt                3561
_reflns_number_total             7895
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0273849_s2_1.cif
_cod_data_source_block           compound_I_at_290K
_cod_original_cell_volume        7319.6(11)
_cod_database_code               4115216
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.0408(11) -0.0562(5) 0.8614(3) 0.046(3) Uiso 0.56 1 d P A 1
H1A H 1.1106 -0.0592 0.8442 0.055 Uiso 0.56 1 calc PR A 1
H1B H 0.9786 -0.0910 0.8547 0.055 Uiso 0.56 1 calc PR A 1
C1A C 1.0808(11) -0.0299(7) 0.8675(3) 0.044(3) Uiso 0.44 1 d P A 2
H1AA H 1.1046 0.0168 0.8705 0.053 Uiso 0.44 1 calc PR A 2
H1AB H 1.1364 -0.0496 0.8492 0.053 Uiso 0.44 1 calc PR A 2
C2 C 0.9742(8) 0.0136(5) 0.8567(2) 0.045(2) Uiso 0.57 1 d P A 1
H2A H 0.9581 0.0228 0.8300 0.054 Uiso 0.57 1 calc PR A 1
H2B H 1.0320 0.0479 0.8670 0.054 Uiso 0.57 1 calc PR A 1
C2A C 0.9419(11) -0.0342(7) 0.8524(3) 0.049(3) Uiso 0.43 1 d P A 2
H2AA H 0.9145 -0.0806 0.8528 0.059 Uiso 0.43 1 calc PR A 2
H2AB H 0.9375 -0.0194 0.8262 0.059 Uiso 0.43 1 calc PR A 2
C3 C 0.9689(5) -0.0542(2) 0.93569(13) 0.0390(12) Uani 1 1 d . A .
C4 C 0.8606(4) -0.0193(2) 0.92405(13) 0.0371(12) Uani 1 1 d . A .
C5 C 0.8200(4) -0.0602(2) 0.99217(13) 0.0374(12) Uani 1 1 d . A .
C6 C 0.7675(4) -0.0729(2) 1.02626(13) 0.0375(12) Uani 1 1 d . . .
C7 C 0.7267(5) -0.1174(2) 1.09327(13) 0.0388(12) Uani 1 1 d . B .
C8 C 0.6179(5) -0.0835(2) 1.08221(14) 0.0396(12) Uani 1 1 d . B .
C9 C 0.6465(13) -0.1197(7) 1.1669(4) 0.067(4) Uiso 0.56 1 d P B 1
H9A H 0.5852 -0.1540 1.1734 0.080 Uiso 0.56 1 calc PR B 1
H9B H 0.6935 -0.1069 1.1901 0.080 Uiso 0.56 1 calc PR B 1
C9A C 0.6669(13) -0.0953(8) 1.1657(4) 0.044(4) Uiso 0.44 1 d P B 2
H9AA H 0.6815 -0.1050 1.1923 0.053 Uiso 0.44 1 calc PR B 2
H9AB H 0.6976 -0.0503 1.1611 0.053 Uiso 0.44 1 calc PR B 2
C10 C 0.5722(13) -0.0612(7) 1.1535(3) 0.056(3) Uiso 0.45 1 d P B 1
H10A H 0.6313 -0.0239 1.1511 0.068 Uiso 0.45 1 calc PR B 1
H10B H 0.5121 -0.0492 1.1726 0.068 Uiso 0.45 1 calc PR B 1
C10A C 0.5220(10) -0.0999(6) 1.1548(3) 0.055(3) Uiso 0.55 1 d P B 2
H10C H 0.4748 -0.0732 1.1724 0.067 Uiso 0.55 1 calc PR B 2
H10D H 0.4945 -0.1461 1.1573 0.067 Uiso 0.55 1 calc PR B 2
S1 S 1.10639(14) -0.07063(8) 0.91050(4) 0.0589(4) Uani 1 1 d . . .
S2 S 0.82686(13) 0.01737(8) 0.87963(4) 0.0527(4) Uani 1 1 d . . .
S3 S 0.97272(12) -0.08888(7) 0.98109(3) 0.0443(3) Uani 1 1 d . . .
S4 S 0.73883(12) -0.01252(7) 0.95663(3) 0.0429(3) Uani 1 1 d . . .
S5 S 0.85280(12) -0.11798(7) 1.06157(3) 0.0450(3) Uani 1 1 d . . .
S6 S 0.61591(12) -0.04341(7) 1.03804(4) 0.0434(3) Uani 1 1 d . . .
S7 S 0.75818(15) -0.15662(8) 1.13706(4) 0.0564(4) Uani 1 1 d . . .
S8 S 0.48050(13) -0.07216(7) 1.10801(4) 0.0512(4) Uani 1 1 d . . .
C11 C 1.1719(6) -0.1952(3) 1.16813(16) 0.0708(18) Uani 1 1 d . . .
H11A H 1.2343 -0.1590 1.1700 0.085 Uiso 1 1 calc R . .
H11B H 1.1082 -0.1873 1.1868 0.085 Uiso 1 1 calc R . .
C12 C 1.2397(6) -0.2602(3) 1.17691(16) 0.0733(19) Uani 1 1 d . . .
H12A H 1.1785 -0.2965 1.1725 0.088 Uiso 1 1 calc R . .
H12B H 1.2657 -0.2607 1.2036 0.088 Uiso 1 1 calc R . .
C13 C 1.2280(5) -0.2087(2) 1.09495(13) 0.0398(12) Uani 1 1 d . . .
C14 C 1.3372(5) -0.2416(2) 1.10614(13) 0.0404(12) Uani 1 1 d . . .
C15 C 1.3734(4) -0.2012(2) 1.03807(13) 0.0368(12) Uani 1 1 d . . .
C16 C 1.4240(4) -0.1882(2) 1.00339(13) 0.0365(12) Uani 1 1 d . . .
C17 C 1.4548(4) -0.1480(2) 0.93468(13) 0.0365(12) Uani 1 1 d . . .
C18 C 1.5658(4) -0.1810(2) 0.94507(13) 0.0361(12) Uani 1 1 d . . .
C19 C 1.5678(5) -0.1052(3) 0.86999(14) 0.0475(14) Uani 1 1 d . . .
H19A H 1.5541 -0.0923 0.8437 0.057 Uiso 1 1 calc R . .
H19B H 1.6174 -0.0700 0.8827 0.057 Uiso 1 1 calc R . .
C20 C 1.6464(5) -0.1693(3) 0.87188(14) 0.0497(14) Uani 1 1 d . . .
H20A H 1.7208 -0.1638 0.8565 0.060 Uiso 1 1 calc R . .
H20B H 1.5942 -0.2053 0.8609 0.060 Uiso 1 1 calc R . .
S9 S 1.09257(14) -0.19413(7) 1.12167(4) 0.0549(4) Uani 1 1 d . . .
S10 S 1.38058(16) -0.27697(8) 1.15016(4) 0.0636(4) Uani 1 1 d . . .
S11 S 1.22135(12) -0.17348(7) 1.04959(4) 0.0439(3) Uani 1 1 d . . .
S12 S 1.45934(13) -0.24616(7) 1.07338(4) 0.0457(3) Uani 1 1 d . . .
S13 S 1.33671(12) -0.14300(7) 0.96874(4) 0.0422(3) Uani 1 1 d . . .
S14 S 1.57747(12) -0.21456(7) 0.99129(4) 0.0451(3) Uani 1 1 d . . .
S15 S 1.41191(13) -0.11129(7) 0.89101(4) 0.0483(4) Uani 1 1 d . . .
S16 S 1.70328(13) -0.19433(7) 0.91942(4) 0.0508(4) Uani 1 1 d . . .
Ga1 Ga 1.5000 -0.08524(4) 0.7500 0.0435(2) Uani 1 2 d S . .
O1 O 1.3490(3) -0.07529(18) 0.78157(9) 0.0484(9) Uani 1 1 d . . .
C21 C 1.2682(6) -0.0301(3) 0.76954(15) 0.0493(14) Uani 1 1 d . . .
O2 O 1.1702(4) -0.0119(2) 0.78481(11) 0.0688(12) Uani 1 1 d . . .
O3 O 1.5927(3) -0.01844(17) 0.78235(9) 0.0480(9) Uani 1 1 d . . .
C22 C 1.6983(5) 0.0036(3) 0.76934(14) 0.0454(13) Uani 1 1 d . . .
O4 O 1.7700(4) 0.0466(2) 0.78370(11) 0.0649(11) Uani 1 1 d . . .
O5 O 1.5733(3) -0.15936(18) 0.78103(9) 0.0514(10) Uani 1 1 d . . .
C23 C 1.5456(5) -0.2182(3) 0.76845(15) 0.0492(14) Uani 1 1 d . . .
O6 O 1.5840(4) -0.2716(2) 0.78187(12) 0.0730(12) Uani 1 1 d . . .
O1W O 2.0000 0.0947(3) 0.7500 0.0850(19) Uiso 1 2 d SD . .
H1W H 2.0000 0.1574(11) 0.7500 0.102 Uiso 1 2 d SD . .
H2W H 2.090(4) 0.059(2) 0.7628(15) 0.102 Uiso 1 1 d D . .
N1A N 2.0000 -0.2815 0.7500 0.063 Uiso 0.08 2 d SP . .
C24 C 2.0000 -0.2815 0.7500 0.063 Uiso 0.42 2 d SP . .
H24A H 2.0000 -0.3298 0.7500 0.076 Uiso 0.42 2 d SP . .
N1B N 1.9171 -0.2504 0.7677 0.063 Uiso 0.08 1 d P . .
C25 C 1.9171 -0.2504 0.7677 0.063 Uiso 0.42 1 d P . .
H25A H 1.8533 -0.2745 0.7813 0.076 Uiso 0.42 1 d P . .
N1C N 1.9178 -0.1829 0.7677 0.063 Uiso 0.08 1 d P . .
C26 C 1.9178 -0.1829 0.7677 0.063 Uiso 0.42 1 d P . .
H26A H 1.8550 -0.1581 0.7813 0.076 Uiso 0.42 1 d P . .
N1D N 2.0000 -0.1535 0.7500 0.063 Uiso 0.08 2 d SP . .
C27 C 2.0000 -0.1535 0.7500 0.063 Uiso 0.42 2 d SP . .
H27A H 2.0000 -0.1052 0.7500 0.076 Uiso 0.42 2 d SP . .
N1E N 1.9529 -0.2728 0.7606 0.063 Uiso 0.08 1 d P . .
C28 C 1.9529 -0.2728 0.7606 0.063 Uiso 0.42 1 d P . .
H28A H 1.9162 -0.3141 0.7694 0.076 Uiso 0.42 1 d P . .
N1F N 1.9095 -0.2177 0.7697 0.063 Uiso 0.08 1 d P . .
C29 C 1.9095 -0.2177 0.7697 0.063 Uiso 0.42 1 d P . .
H29A H 1.8342 -0.2168 0.7847 0.076 Uiso 0.42 1 d P . .
N1G N 1.9573 -0.1640 0.7607 0.063 Uiso 0.08 1 d P . .
C30 C 1.9573 -0.1640 0.7607 0.063 Uiso 0.42 1 d P . .
H30A H 1.9260 -0.1224 0.7707 0.076 Uiso 0.42 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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
C2 C1 S1 112.3(6) . .
C2 C1 H1A 109.1 . .
S1 C1 H1A 109.1 . .
C2 C1 H1B 109.1 . .
S1 C1 H1B 109.1 . .
H1A C1 H1B 107.9 . .
C2A C1A S1 112.8(9) . .
C2A C1A H1AA 109.0 . .
S1 C1A H1AA 109.0 . .
C2A C1A H1AB 109.0 . .
S1 C1A H1AB 109.0 . .
H1AA C1A H1AB 107.8 . .
C1 C2 S2 112.2(7) . .
C1 C2 H2A 109.2 . .
S2 C2 H2A 109.2 . .
C1 C2 H2B 109.2 . .
S2 C2 H2B 109.2 . .
H2A C2 H2B 107.9 . .
C1A C2A S2 113.8(9) . .
C1A C2A H2AA 108.8 . .
S2 C2A H2AA 108.8 . .
C1A C2A H2AB 108.8 . .
S2 C2A H2AB 108.8 . .
H2AA C2A H2AB 107.7 . .
C4 C3 S1 128.2(4) . .
C4 C3 S3 117.4(4) . .
S1 C3 S3 114.4(3) . .
C3 C4 S2 127.4(4) . .
C3 C4 S4 116.5(4) . .
S2 C4 S4 116.1(3) . .
C6 C5 S3 122.7(4) . .
C6 C5 S4 122.3(4) . .
S3 C5 S4 115.0(3) . .
C5 C6 S5 121.2(4) . .
C5 C6 S6 123.2(4) . .
S5 C6 S6 115.6(3) . .
C8 C7 S7 126.5(4) . .
C8 C7 S5 116.8(4) . .
S7 C7 S5 116.7(3) . .
C7 C8 S8 127.0(4) . .
C7 C8 S6 117.3(4) . .
S8 C8 S6 115.6(3) . .
C10 C9 S7 119.2(9) . .
C10 C9 H9A 107.5 . .
S7 C9 H9A 107.5 . .
C10 C9 H9B 107.5 . .
S7 C9 H9B 107.5 . .
H9A C9 H9B 107.0 . .
C10A C9A S7 109.8(9) . .
C10A C9A H9AA 109.7 . .
S7 C9A H9AA 109.7 . .
C10A C9A H9AB 109.7 . .
S7 C9A H9AB 109.7 . .
H9AA C9A H9AB 108.2 . .
C9 C10 S8 115.4(9) . .
C9 C10 H10A 108.4 . .
S8 C10 H10A 108.4 . .
C9 C10 H10B 108.4 . .
S8 C10 H10B 108.4 . .
H10A C10 H10B 107.5 . .
C9A C10A S8 113.9(8) . .
C9A C10A H10C 108.8 . .
S8 C10A H10C 108.8 . .
C9A C10A H10D 108.8 . .
S8 C10A H10D 108.8 . .
H10C C10A H10D 107.7 . .
C1A S1 C3 105.5(4) . .
C1A S1 C1 22.0(5) . .
C3 S1 C1 100.3(4) . .
C4 S2 C2 104.8(3) . .
C4 S2 C2A 97.4(4) . .
C2 S2 C2A 32.3(4) . .
C5 S3 C3 95.6(2) . .
C4 S4 C5 95.5(2) . .
C6 S5 C7 95.1(2) . .
C6 S6 C8 95.0(2) . .
C7 S7 C9 104.1(4) . .
C7 S7 C9A 96.3(5) . .
C9 S7 C9A 16.5(6) . .
C8 S8 C10A 106.3(4) . .
C8 S8 C10 94.3(5) . .
C10A S8 C10 29.8(4) . .
C12 C11 S9 112.8(4) . .
C12 C11 H11A 109.0 . .
S9 C11 H11A 109.0 . .
C12 C11 H11B 109.0 . .
S9 C11 H11B 109.0 . .
H11A C11 H11B 107.8 . .
C11 C12 S10 115.6(4) . .
C11 C12 H12A 108.4 . .
S10 C12 H12A 108.4 . .
C11 C12 H12B 108.4 . .
S10 C12 H12B 108.4 . .
H12A C12 H12B 107.4 . .
C14 C13 S11 117.4(4) . .
C14 C13 S9 127.1(4) . .
S11 C13 S9 115.5(3) . .
C13 C14 S10 129.3(4) . .
C13 C14 S12 116.8(4) . .
S10 C14 S12 113.9(3) . .
C16 C15 S11 122.3(4) . .
C16 C15 S12 122.0(4) . .
S11 C15 S12 115.6(3) . .
C15 C16 S13 121.2(4) . .
C15 C16 S14 123.3(4) . .
S13 C16 S14 115.5(3) . .
C18 C17 S15 128.1(4) . .
C18 C17 S13 116.6(4) . .
S15 C17 S13 115.2(3) . .
C17 C18 S16 129.3(4) . .
C17 C18 S14 117.0(3) . .
S16 C18 S14 113.8(3) . .
C20 C19 S15 114.4(3) . .
C20 C19 H19A 108.7 . .
S15 C19 H19A 108.7 . .
C20 C19 H19B 108.7 . .
S15 C19 H19B 108.7 . .
H19A C19 H19B 107.6 . .
C19 C20 S16 114.8(4) . .
C19 C20 H20A 108.6 . .
S16 C20 H20A 108.6 . .
C19 C20 H20B 108.6 . .
S16 C20 H20B 108.6 . .
H20A C20 H20B 107.5 . .
C13 S9 C11 98.6(3) . .
C14 S10 C12 102.3(3) . .
C15 S11 C13 95.2(2) . .
C15 S12 C14 95.0(2) . .
C16 S13 C17 95.7(2) . .
C16 S14 C18 95.2(2) . .
C17 S15 C19 101.4(2) . .
C18 S16 C20 101.7(2) . .
O5 Ga1 O5 82.8(2) 2_856 .
O5 Ga1 O3 172.71(15) 2_856 .
O5 Ga1 O3 91.14(15) . .
O5 Ga1 O3 91.14(15) 2_856 2_856
O5 Ga1 O3 172.71(15) . 2_856
O3 Ga1 O3 95.2(2) . 2_856
O5 Ga1 O1 95.55(14) 2_856 .
O5 Ga1 O1 93.09(15) . .
O3 Ga1 O1 88.85(14) . .
O3 Ga1 O1 83.37(14) 2_856 .
O5 Ga1 O1 93.09(14) 2_856 2_856
O5 Ga1 O1 95.55(14) . 2_856
O3 Ga1 O1 83.37(14) . 2_856
O3 Ga1 O1 88.85(14) 2_856 2_856
O1 Ga1 O1 168.5(2) . 2_856
C21 O1 Ga1 113.7(3) . .
O2 C21 O1 126.7(5) . .
O2 C21 C22 118.5(5) . 2_856
O1 C21 C22 114.7(5) . 2_856
C22 O3 Ga1 114.9(3) . .
O4 C22 O3 126.8(5) . .
O4 C22 C21 120.1(5) . 2_856
O3 C22 C21 113.1(5) . 2_856
C23 O5 Ga1 114.8(3) . .
O6 C23 O5 126.8(5) . .
O6 C23 C23 119.5(3) . 2_856
O5 C23 C23 113.8(3) . 2_856
H1W O1W H2W 125(3) . .
C28 N1A N1E 0.0 2_956 2_956
C28 N1A C28 149.4 2_956 .
N1E N1A C28 149.4 2_956 .
C28 N1A N1E 149.4 2_956 .
N1E N1A N1E 149.4 2_956 .
C28 N1A N1E 0.0 . .
C28 N1A C25 14.5 2_956 2_956
N1E N1A C25 14.5 2_956 2_956
C28 N1A C25 135.0 . 2_956
N1E N1A C25 135.0 . 2_956
C28 N1A N1B 14.5 2_956 2_956
N1E N1A N1B 14.5 2_956 2_956
C28 N1A N1B 135.0 . 2_956
N1E N1A N1B 135.0 . 2_956
C25 N1A N1B 0.0 2_956 2_956
C28 N1A N1B 135.0 2_956 .
N1E N1A N1B 135.0 2_956 .
C28 N1A N1B 14.5 . .
N1E N1A N1B 14.5 . .
C25 N1A N1B 120.6 2_956 .
N1B N1A N1B 120.6 2_956 .
C28 N1A C25 135.0 2_956 .
N1E N1A C25 135.0 2_956 .
C28 N1A C25 14.5 . .
N1E N1A C25 14.5 . .
C25 N1A C25 120.6 2_956 .
N1B N1A C25 120.6 2_956 .
N1B N1A C25 0.0 . .
C28 N1A C29 31.5 2_956 2_956
N1E N1A C29 31.5 2_956 2_956
C28 N1A C29 117.9 . 2_956
N1E N1A C29 117.9 . 2_956
C25 N1A C29 17.1 2_956 2_956
N1B N1A C29 17.1 2_956 2_956
N1B N1A C29 103.5 . 2_956
C25 N1A C29 103.5 . 2_956
C28 N1A N1F 31.5 2_956 2_956
N1E N1A N1F 31.5 2_956 2_956
C28 N1A N1F 117.9 . 2_956
N1E N1A N1F 117.9 . 2_956
C25 N1A N1F 17.1 2_956 2_956
N1B N1A N1F 17.1 2_956 2_956
N1B N1A N1F 103.5 . 2_956
C25 N1A N1F 103.5 . 2_956
C29 N1A N1F 0.0 2_956 2_956
C28 N1A N1F 117.9 2_956 .
N1E N1A N1F 117.9 2_956 .
C28 N1A N1F 31.5 . .
N1E N1A N1F 31.5 . .
C25 N1A N1F 103.5 2_956 .
N1B N1A N1F 103.5 2_956 .
N1B N1A N1F 17.1 . .
C25 N1A N1F 17.1 . .
C29 N1A N1F 86.5 2_956 .
N1F N1A N1F 86.5 2_956 .
C28 N1A C29 117.9 2_956 .
N1E N1A C29 117.9 2_956 .
C28 N1A C29 31.5 . .
N1E N1A C29 31.5 . .
C25 N1A C29 103.5 2_956 .
N1B N1A C29 103.5 2_956 .
N1B N1A C29 17.1 . .
C25 N1A C29 17.1 . .
C29 N1A C29 86.5 2_956 .
N1F N1A C29 86.5 2_956 .
N1F N1A C29 0.0 . .
C28 N1A H24A 105.3 2_956 .
N1E N1A H24A 105.3 2_956 .
C28 N1A H24A 105.3 . .
N1E N1A H24A 105.3 . .
C25 N1A H24A 119.7 2_956 .
N1B N1A H24A 119.7 2_956 .
N1B N1A H24A 119.7 . .
C25 N1A H24A 119.7 . .
C29 N1A H24A 136.8 2_956 .
N1F N1A H24A 136.8 2_956 .
N1F N1A H24A 136.8 . .
C29 N1A H24A 136.8 . .
C28 N1A H28A 165.4 2_956 .
N1E N1A H28A 165.4 2_956 .
C28 N1A H28A 45.2 . .
N1E N1A H28A 45.2 . .
C25 N1A H28A 178.2 2_956 .
N1B N1A H28A 178.2 2_956 .
N1B N1A H28A 59.7 . .
C25 N1A H28A 59.7 . .
C29 N1A H28A 163.1 2_956 .
N1F N1A H28A 163.1 2_956 .
N1F N1A H28A 76.7 . .
C29 N1A H28A 76.7 . .
H24A N1A H28A 60.1 . .
C28 C24 N1E 0.0 2_956 2_956
C28 C24 C28 149.4 2_956 .
N1E C24 C28 149.4 2_956 .
C28 C24 N1E 149.4 2_956 .
N1E C24 N1E 149.4 2_956 .
C28 C24 N1E 0.0 . .
C28 C24 C25 14.5 2_956 2_956
N1E C24 C25 14.5 2_956 2_956
C28 C24 C25 135.0 . 2_956
N1E C24 C25 135.0 . 2_956
C28 C24 N1B 14.5 2_956 2_956
N1E C24 N1B 14.5 2_956 2_956
C28 C24 N1B 135.0 . 2_956
N1E C24 N1B 135.0 . 2_956
C25 C24 N1B 0.0 2_956 2_956
C28 C24 N1B 135.0 2_956 .
N1E C24 N1B 135.0 2_956 .
C28 C24 N1B 14.5 . .
N1E C24 N1B 14.5 . .
C25 C24 N1B 120.6 2_956 .
N1B C24 N1B 120.6 2_956 .
C28 C24 C25 135.0 2_956 .
N1E C24 C25 135.0 2_956 .
C28 C24 C25 14.5 . .
N1E C24 C25 14.5 . .
C25 C24 C25 120.6 2_956 .
N1B C24 C25 120.6 2_956 .
N1B C24 C25 0.0 . .
C28 C24 C29 31.5 2_956 2_956
N1E C24 C29 31.5 2_956 2_956
C28 C24 C29 117.9 . 2_956
N1E C24 C29 117.9 . 2_956
C25 C24 C29 17.1 2_956 2_956
N1B C24 C29 17.1 2_956 2_956
N1B C24 C29 103.5 . 2_956
C25 C24 C29 103.5 . 2_956
C28 C24 N1F 31.5 2_956 2_956
N1E C24 N1F 31.5 2_956 2_956
C28 C24 N1F 117.9 . 2_956
N1E C24 N1F 117.9 . 2_956
C25 C24 N1F 17.1 2_956 2_956
N1B C24 N1F 17.1 2_956 2_956
N1B C24 N1F 103.5 . 2_956
C25 C24 N1F 103.5 . 2_956
C29 C24 N1F 0.0 2_956 2_956
C28 C24 N1F 117.9 2_956 .
N1E C24 N1F 117.9 2_956 .
C28 C24 N1F 31.5 . .
N1E C24 N1F 31.5 . .
C25 C24 N1F 103.5 2_956 .
N1B C24 N1F 103.5 2_956 .
N1B C24 N1F 17.1 . .
C25 C24 N1F 17.1 . .
C29 C24 N1F 86.5 2_956 .
N1F C24 N1F 86.5 2_956 .
C28 C24 C29 117.9 2_956 .
N1E C24 C29 117.9 2_956 .
C28 C24 C29 31.5 . .
N1E C24 C29 31.5 . .
C25 C24 C29 103.5 2_956 .
N1B C24 C29 103.5 2_956 .
N1B C24 C29 17.1 . .
C25 C24 C29 17.1 . .
C29 C24 C29 86.5 2_956 .
N1F C24 C29 86.5 2_956 .
N1F C24 C29 0.0 . .
C28 C24 H24A 105.3 2_956 .
N1E C24 H24A 105.3 2_956 .
C28 C24 H24A 105.3 . .
N1E C24 H24A 105.3 . .
C25 C24 H24A 119.7 2_956 .
N1B C24 H24A 119.7 2_956 .
N1B C24 H24A 119.7 . .
C25 C24 H24A 119.7 . .
C29 C24 H24A 136.8 2_956 .
N1F C24 H24A 136.8 2_956 .
N1F C24 H24A 136.8 . .
C29 C24 H24A 136.8 . .
C28 C24 H28A 165.4 2_956 .
N1E C24 H28A 165.4 2_956 .
C28 C24 H28A 45.2 . .
N1E C24 H28A 45.2 . .
C25 C24 H28A 178.2 2_956 .
N1B C24 H28A 178.2 2_956 .
N1B C24 H28A 59.7 . .
C25 C24 H28A 59.7 . .
C29 C24 H28A 163.1 2_956 .
N1F C24 H28A 163.1 2_956 .
N1F C24 H28A 76.7 . .
C29 C24 H28A 76.7 . .
H24A C24 H28A 60.1 . .
C28 N1B N1E 0.0 . .
C28 N1B C29 143.8 . .
N1E N1B C29 143.8 . .
C28 N1B N1F 143.8 . .
N1E N1B N1F 143.8 . .
C29 N1B N1F 0.0 . .
C28 N1B N1A 14.8 . .
N1E N1B N1A 14.8 . .
C29 N1B N1A 129.2 . .
N1F N1B N1A 129.2 . .
C28 N1B C24 14.8 . .
N1E N1B C24 14.8 . .
C29 N1B C24 129.2 . .
N1F N1B C24 129.2 . .
N1A N1B C24 0.0 . .
C28 N1B N1C 134.2 . .
N1E N1B N1C 134.2 . .
C29 N1B N1C 9.8 . .
N1F N1B N1C 9.8 . .
N1A N1B N1C 119.5 . .
C24 N1B N1C 119.5 . .
C28 N1B C26 134.2 . .
N1E N1B C26 134.2 . .
C29 N1B C26 9.8 . .
N1F N1B C26 9.8 . .
N1A N1B C26 119.5 . .
C24 N1B C26 119.5 . .
N1C N1B C26 0.0 . .
C28 N1B C28 29.8 . 2_956
N1E N1B C28 29.8 . 2_956
C29 N1B C28 114.1 . 2_956
N1F N1B C28 114.1 . 2_956
N1A N1B C28 15.1 . 2_956
C24 N1B C28 15.1 . 2_956
N1C N1B C28 104.4 . 2_956
C26 N1B C28 104.4 . 2_956
C28 N1B N1E 29.8 . 2_956
N1E N1B N1E 29.8 . 2_956
C29 N1B N1E 114.1 . 2_956
N1F N1B N1E 114.1 . 2_956
N1A N1B N1E 15.1 . 2_956
C24 N1B N1E 15.1 . 2_956
N1C N1B N1E 104.4 . 2_956
C26 N1B N1E 104.4 . 2_956
C28 N1B N1E 0.0 2_956 2_956
C28 N1B N1G 118.4 . .
N1E N1B N1G 118.4 . .
C29 N1B N1G 25.4 . .
N1F N1B N1G 25.4 . .
N1A N1B N1G 103.7 . .
C24 N1B N1G 103.7 . .
N1C N1B N1G 15.8 . .
C26 N1B N1G 15.8 . .
C28 N1B N1G 88.7 2_956 .
N1E N1B N1G 88.7 2_956 .
C28 N1B C30 118.4 . .
N1E N1B C30 118.4 . .
C29 N1B C30 25.4 . .
N1F N1B C30 25.4 . .
N1A N1B C30 103.7 . .
C24 N1B C30 103.7 . .
N1C N1B C30 15.8 . .
C26 N1B C30 15.8 . .
C28 N1B C30 88.7 2_956 .
N1E N1B C30 88.7 2_956 .
N1G N1B C30 0.0 . .
C28 N1B H25A 105.6 . .
N1E N1B H25A 105.6 . .
C29 N1B H25A 110.5 . .
N1F N1B H25A 110.5 . .
N1A N1B H25A 120.3 . .
C24 N1B H25A 120.3 . .
N1C N1B H25A 120.3 . .
C26 N1B H25A 120.3 . .
C28 N1B H25A 135.3 2_956 .
N1E N1B H25A 135.3 2_956 .
N1G N1B H25A 136.0 . .
C30 N1B H25A 136.0 . .
C28 N1B H28A 47.5 . .
N1E N1B H28A 47.5 . .
C29 N1B H28A 168.2 . .
N1F N1B H28A 168.2 . .
N1A N1B H28A 62.3 . .
C24 N1B H28A 62.3 . .
N1C N1B H28A 177.4 . .
C26 N1B H28A 177.4 . .
C28 N1B H28A 77.4 2_956 .
N1E N1B H28A 77.4 2_956 .
N1G N1B H28A 165.7 . .
C30 N1B H28A 165.7 . .
H25A N1B H28A 58.0 . .
C28 N1B H29A 167.5 . .
N1E N1B H29A 167.5 . .
C29 N1B H29A 48.6 . .
N1F N1B H29A 48.6 . .
N1A N1B H29A 177.6 . .
C24 N1B H29A 177.6 . .
N1C N1B H29A 58.3 . .
C26 N1B H29A 58.3 . .
C28 N1B H29A 162.6 2_956 .
N1E N1B H29A 162.6 2_956 .
N1G N1B H29A 74.0 . .
C30 N1B H29A 74.0 . .
H25A N1B H29A 62.0 . .
H28A N1B H29A 120.0 . .
C28 C25 N1E 0.0 . .
C28 C25 C29 143.8 . .
N1E C25 C29 143.8 . .
C28 C25 N1F 143.8 . .
N1E C25 N1F 143.8 . .
C29 C25 N1F 0.0 . .
C28 C25 N1A 14.8 . .
N1E C25 N1A 14.8 . .
C29 C25 N1A 129.2 . .
N1F C25 N1A 129.2 . .
C28 C25 C24 14.8 . .
N1E C25 C24 14.8 . .
C29 C25 C24 129.2 . .
N1F C25 C24 129.2 . .
N1A C25 C24 0.0 . .
C28 C25 N1C 134.2 . .
N1E C25 N1C 134.2 . .
C29 C25 N1C 9.8 . .
N1F C25 N1C 9.8 . .
N1A C25 N1C 119.5 . .
C24 C25 N1C 119.5 . .
C28 C25 C26 134.2 . .
N1E C25 C26 134.2 . .
C29 C25 C26 9.8 . .
N1F C25 C26 9.8 . .
N1A C25 C26 119.5 . .
C24 C25 C26 119.5 . .
N1C C25 C26 0.0 . .
C28 C25 C28 29.8 . 2_956
N1E C25 C28 29.8 . 2_956
C29 C25 C28 114.1 . 2_956
N1F C25 C28 114.1 . 2_956
N1A C25 C28 15.1 . 2_956
C24 C25 C28 15.1 . 2_956
N1C C25 C28 104.4 . 2_956
C26 C25 C28 104.4 . 2_956
C28 C25 N1E 29.8 . 2_956
N1E C25 N1E 29.8 . 2_956
C29 C25 N1E 114.1 . 2_956
N1F C25 N1E 114.1 . 2_956
N1A C25 N1E 15.1 . 2_956
C24 C25 N1E 15.1 . 2_956
N1C C25 N1E 104.4 . 2_956
C26 C25 N1E 104.4 . 2_956
C28 C25 N1E 0.0 2_956 2_956
C28 C25 N1G 118.4 . .
N1E C25 N1G 118.4 . .
C29 C25 N1G 25.4 . .
N1F C25 N1G 25.4 . .
N1A C25 N1G 103.7 . .
C24 C25 N1G 103.7 . .
N1C C25 N1G 15.8 . .
C26 C25 N1G 15.8 . .
C28 C25 N1G 88.7 2_956 .
N1E C25 N1G 88.7 2_956 .
C28 C25 C30 118.4 . .
N1E C25 C30 118.4 . .
C29 C25 C30 25.4 . .
N1F C25 C30 25.4 . .
N1A C25 C30 103.7 . .
C24 C25 C30 103.7 . .
N1C C25 C30 15.8 . .
C26 C25 C30 15.8 . .
C28 C25 C30 88.7 2_956 .
N1E C25 C30 88.7 2_956 .
N1G C25 C30 0.0 . .
C28 C25 H25A 105.6 . .
N1E C25 H25A 105.6 . .
C29 C25 H25A 110.5 . .
N1F C25 H25A 110.5 . .
N1A C25 H25A 120.3 . .
C24 C25 H25A 120.3 . .
N1C C25 H25A 120.3 . .
C26 C25 H25A 120.3 . .
C28 C25 H25A 135.3 2_956 .
N1E C25 H25A 135.3 2_956 .
N1G C25 H25A 136.0 . .
C30 C25 H25A 136.0 . .
C28 C25 H28A 47.5 . .
N1E C25 H28A 47.5 . .
C29 C25 H28A 168.2 . .
N1F C25 H28A 168.2 . .
N1A C25 H28A 62.3 . .
C24 C25 H28A 62.3 . .
N1C C25 H28A 177.4 . .
C26 C25 H28A 177.4 . .
C28 C25 H28A 77.4 2_956 .
N1E C25 H28A 77.4 2_956 .
N1G C25 H28A 165.7 . .
C30 C25 H28A 165.7 . .
H25A C25 H28A 58.0 . .
C28 C25 H29A 167.5 . .
N1E C25 H29A 167.5 . .
C29 C25 H29A 48.6 . .
N1F C25 H29A 48.6 . .
N1A C25 H29A 177.6 . .
C24 C25 H29A 177.6 . .
N1C C25 H29A 58.3 . .
C26 C25 H29A 58.3 . .
C28 C25 H29A 162.6 2_956 .
N1E C25 H29A 162.6 2_956 .
N1G C25 H29A 74.0 . .
C30 C25 H29A 74.0 . .
H25A C25 H29A 62.0 . .
H28A C25 H29A 120.0 . .
C30 N1C N1G 0.0 . .
C30 N1C C29 137.0 . .
N1G N1C C29 137.0 . .
C30 N1C N1F 137.0 . .
N1G N1C N1F 137.0 . .
C29 N1C N1F 0.0 . .
C30 N1C N1D 10.0 . .
N1G N1C N1D 10.0 . .
C29 N1C N1D 127.9 . .
N1F N1C N1D 127.9 . .
C30 N1C C27 10.0 . .
N1G N1C C27 10.0 . .
C29 N1C C27 127.9 . .
N1F N1C C27 127.9 . .
N1D N1C C27 0.0 . .
C30 N1C N1B 127.9 . .
N1G N1C N1B 127.9 . .
C29 N1C N1B 9.2 . .
N1F N1C N1B 9.2 . .
N1D N1C N1B 118.7 . .
C27 N1C N1B 118.7 . .
C30 N1C C25 127.9 . .
N1G N1C C25 127.9 . .
C29 N1C C25 9.2 . .
N1F N1C C25 9.2 . .
N1D N1C C25 118.7 . .
C27 N1C C25 118.7 . .
N1B N1C C25 0.0 . .
C30 N1C C30 25.6 . 2_956
N1G N1C C30 25.6 . 2_956
C29 N1C C30 112.1 . 2_956
N1F N1C C30 112.1 . 2_956
N1D N1C C30 15.8 . 2_956
C27 N1C C30 15.8 . 2_956
N1B N1C C30 102.9 . 2_956
C25 N1C C30 102.9 . 2_956
C30 N1C N1G 25.6 . 2_956
N1G N1C N1G 25.6 . 2_956
C29 N1C N1G 112.1 . 2_956
N1F N1C N1G 112.1 . 2_956
N1D N1C N1G 15.8 . 2_956
C27 N1C N1G 15.8 . 2_956
N1B N1C N1G 102.9 . 2_956
C25 N1C N1G 102.9 . 2_956
C30 N1C N1G 0.0 2_956 2_956
C30 N1C N1E 113.6 . .
N1G N1C N1E 113.6 . .
C29 N1C N1E 23.5 . .
N1F N1C N1E 23.5 . .
N1D N1C N1E 104.3 . .
C27 N1C N1E 104.3 . .
N1B N1C N1E 14.4 . .
C25 N1C N1E 14.4 . .
C30 N1C N1E 88.6 2_956 .
N1G N1C N1E 88.6 2_956 .
C30 N1C C28 113.6 . .
N1G N1C C28 113.6 . .
C29 N1C C28 23.5 . .
N1F N1C C28 23.5 . .
N1D N1C C28 104.3 . .
C27 N1C C28 104.3 . .
N1B N1C C28 14.4 . .
C25 N1C C28 14.4 . .
C30 N1C C28 88.6 2_956 .
N1G N1C C28 88.6 2_956 .
N1E N1C C28 0.0 . .
C30 N1C H26A 111.3 . .
N1G N1C H26A 111.3 . .
C29 N1C H26A 111.5 . .
N1F N1C H26A 111.5 . .
N1D N1C H26A 120.6 . .
C27 N1C H26A 120.6 . .
N1B N1C H26A 120.6 . .
C25 N1C H26A 120.6 . .
C30 N1C H26A 136.4 2_956 .
N1G N1C H26A 136.4 2_956 .
N1E N1C H26A 135.0 . .
C28 N1C H26A 135.0 . .
C30 N1C H29A 173.7 . .
N1G N1C H29A 173.7 . .
C29 N1C H29A 48.5 . .
N1F N1C H29A 48.5 . .
N1D N1C H29A 176.2 . .
C27 N1C H29A 176.2 . .
N1B N1C H29A 57.7 . .
C25 N1C H29A 57.7 . .
C30 N1C H29A 160.4 2_956 .
N1G N1C H29A 160.4 2_956 .
N1E N1C H29A 72.0 . .
C28 N1C H29A 72.0 . .
H26A N1C H29A 63.0 . .
C30 N1C H30A 51.9 . .
N1G N1C H30A 51.9 . .
C29 N1C H30A 168.5 . .
N1F N1C H30A 168.5 . .
N1D N1C H30A 61.5 . .
C27 N1C H30A 61.5 . .
N1B N1C H30A 173.8 . .
C25 N1C H30A 173.8 . .
C30 N1C H30A 77.3 2_956 .
N1G N1C H30A 77.3 2_956 .
N1E N1C H30A 164.2 . .
C28 N1C H30A 164.2 . .
H26A N1C H30A 59.5 . .
H29A N1C H30A 122.2 . .
C30 C26 N1G 0.0 . .
C30 C26 C29 137.0 . .
N1G C26 C29 137.0 . .
C30 C26 N1F 137.0 . .
N1G C26 N1F 137.0 . .
C29 C26 N1F 0.0 . .
C30 C26 N1D 10.0 . .
N1G C26 N1D 10.0 . .
C29 C26 N1D 127.9 . .
N1F C26 N1D 127.9 . .
C30 C26 C27 10.0 . .
N1G C26 C27 10.0 . .
C29 C26 C27 127.9 . .
N1F C26 C27 127.9 . .
N1D C26 C27 0.0 . .
C30 C26 N1B 127.9 . .
N1G C26 N1B 127.9 . .
C29 C26 N1B 9.2 . .
N1F C26 N1B 9.2 . .
N1D C26 N1B 118.7 . .
C27 C26 N1B 118.7 . .
C30 C26 C25 127.9 . .
N1G C26 C25 127.9 . .
C29 C26 C25 9.2 . .
N1F C26 C25 9.2 . .
N1D C26 C25 118.7 . .
C27 C26 C25 118.7 . .
N1B C26 C25 0.0 . .
C30 C26 C30 25.6 . 2_956
N1G C26 C30 25.6 . 2_956
C29 C26 C30 112.1 . 2_956
N1F C26 C30 112.1 . 2_956
N1D C26 C30 15.8 . 2_956
C27 C26 C30 15.8 . 2_956
N1B C26 C30 102.9 . 2_956
C25 C26 C30 102.9 . 2_956
C30 C26 N1G 25.6 . 2_956
N1G C26 N1G 25.6 . 2_956
C29 C26 N1G 112.1 . 2_956
N1F C26 N1G 112.1 . 2_956
N1D C26 N1G 15.8 . 2_956
C27 C26 N1G 15.8 . 2_956
N1B C26 N1G 102.9 . 2_956
C25 C26 N1G 102.9 . 2_956
C30 C26 N1G 0.0 2_956 2_956
C30 C26 N1E 113.6 . .
N1G C26 N1E 113.6 . .
C29 C26 N1E 23.5 . .
N1F C26 N1E 23.5 . .
N1D C26 N1E 104.3 . .
C27 C26 N1E 104.3 . .
N1B C26 N1E 14.4 . .
C25 C26 N1E 14.4 . .
C30 C26 N1E 88.6 2_956 .
N1G C26 N1E 88.6 2_956 .
C30 C26 C28 113.6 . .
N1G C26 C28 113.6 . .
C29 C26 C28 23.5 . .
N1F C26 C28 23.5 . .
N1D C26 C28 104.3 . .
C27 C26 C28 104.3 . .
N1B C26 C28 14.4 . .
C25 C26 C28 14.4 . .
C30 C26 C28 88.6 2_956 .
N1G C26 C28 88.6 2_956 .
N1E C26 C28 0.0 . .
C30 C26 H26A 111.3 . .
N1G C26 H26A 111.3 . .
C29 C26 H26A 111.5 . .
N1F C26 H26A 111.5 . .
N1D C26 H26A 120.6 . .
C27 C26 H26A 120.6 . .
N1B C26 H26A 120.6 . .
C25 C26 H26A 120.6 . .
C30 C26 H26A 136.4 2_956 .
N1G C26 H26A 136.4 2_956 .
N1E C26 H26A 135.0 . .
C28 C26 H26A 135.0 . .
C30 C26 H29A 173.7 . .
N1G C26 H29A 173.7 . .
C29 C26 H29A 48.5 . .
N1F C26 H29A 48.5 . .
N1D C26 H29A 176.2 . .
C27 C26 H29A 176.2 . .
N1B C26 H29A 57.7 . .
C25 C26 H29A 57.7 . .
C30 C26 H29A 160.4 2_956 .
N1G C26 H29A 160.4 2_956 .
N1E C26 H29A 72.0 . .
C28 C26 H29A 72.0 . .
H26A C26 H29A 63.0 . .
C30 C26 H30A 51.9 . .
N1G C26 H30A 51.9 . .
C29 C26 H30A 168.5 . .
N1F C26 H30A 168.5 . .
N1D C26 H30A 61.5 . .
C27 C26 H30A 61.5 . .
N1B C26 H30A 173.8 . .
C25 C26 H30A 173.8 . .
C30 C26 H30A 77.3 2_956 .
N1G C26 H30A 77.3 2_956 .
N1E C26 H30A 164.2 . .
C28 C26 H30A 164.2 . .
H26A C26 H30A 59.5 . .
H29A C26 H30A 122.2 . .
C30 N1D N1G 0.0 2_956 2_956
C30 N1D C30 141.4 2_956 .
N1G N1D C30 141.4 2_956 .
C30 N1D N1G 141.4 2_956 .
N1G N1D N1G 141.4 2_956 .
C30 N1D N1G 0.0 . .
C30 N1D C26 9.8 2_956 2_956
N1G N1D C26 9.8 2_956 2_956
C30 N1D C26 132.1 . 2_956
N1G N1D C26 132.1 . 2_956
C30 N1D N1C 9.8 2_956 2_956
N1G N1D N1C 9.8 2_956 2_956
C30 N1D N1C 132.1 . 2_956
N1G N1D N1C 132.1 . 2_956
C26 N1D N1C 0.0 2_956 2_956
C30 N1D N1C 132.1 2_956 .
N1G N1D N1C 132.1 2_956 .
C30 N1D N1C 9.8 . .
N1G N1D N1C 9.8 . .
C26 N1D N1C 123.1 2_956 .
N1C N1D N1C 123.1 2_956 .
C30 N1D C26 132.1 2_956 .
N1G N1D C26 132.1 2_956 .
C30 N1D C26 9.8 . .
N1G N1D C26 9.8 . .
C26 N1D C26 123.1 2_956 .
N1C N1D C26 123.1 2_956 .
N1C N1D C26 0.0 . .
C30 N1D N1F 113.6 2_956 .
N1G N1D N1F 113.6 2_956 .
C30 N1D N1F 27.8 . .
N1G N1D N1F 27.8 . .
C26 N1D N1F 104.6 2_956 .
N1C N1D N1F 104.6 2_956 .
N1C N1D N1F 18.5 . .
C26 N1D N1F 18.5 . .
C30 N1D N1F 27.8 2_956 2_956
N1G N1D N1F 27.8 2_956 2_956
C30 N1D N1F 113.6 . 2_956
N1G N1D N1F 113.6 . 2_956
C26 N1D N1F 18.5 2_956 2_956
N1C N1D N1F 18.5 2_956 2_956
N1C N1D N1F 104.6 . 2_956
C26 N1D N1F 104.6 . 2_956
N1F N1D N1F 86.1 . 2_956
C30 N1D C29 27.8 2_956 2_956
N1G N1D C29 27.8 2_956 2_956
C30 N1D C29 113.6 . 2_956
N1G N1D C29 113.6 . 2_956
C26 N1D C29 18.5 2_956 2_956
N1C N1D C29 18.5 2_956 2_956
N1C N1D C29 104.6 . 2_956
C26 N1D C29 104.6 . 2_956
N1F N1D C29 86.1 . 2_956
N1F N1D C29 0.0 2_956 2_956
C30 N1D C29 113.6 2_956 .
N1G N1D C29 113.6 2_956 .
C30 N1D C29 27.8 . .
N1G N1D C29 27.8 . .
C26 N1D C29 104.6 2_956 .
N1C N1D C29 104.6 2_956 .
N1C N1D C29 18.5 . .
C26 N1D C29 18.5 . .
N1F N1D C29 0.0 . .
N1F N1D C29 86.1 2_956 .
C29 N1D C29 86.1 2_956 .
C30 N1D H27A 109.3 2_956 .
N1G N1D H27A 109.3 2_956 .
C30 N1D H27A 109.3 . .
N1G N1D H27A 109.3 . .
C26 N1D H27A 118.5 2_956 .
N1C N1D H27A 118.5 2_956 .
N1C N1D H27A 118.5 . .
C26 N1D H27A 118.5 . .
N1F N1D H27A 137.0 . .
N1F N1D H27A 137.0 2_956 .
C29 N1D H27A 137.0 2_956 .
C29 N1D H27A 137.0 . .
C30 N1D H30A 169.2 2_956 .
N1G N1D H30A 169.2 2_956 .
C30 N1D H30A 49.2 . .
N1G N1D H30A 49.2 . .
C26 N1D H30A 173.7 2_956 .
N1C N1D H30A 173.7 2_956 .
N1C N1D H30A 58.6 . .
C26 N1D H30A 58.6 . .
N1F N1D H30A 77.0 . .
N1F N1D H30A 162.0 2_956 .
C29 N1D H30A 162.0 2_956 .
C29 N1D H30A 77.0 . .
H27A N1D H30A 60.2 . .
C30 C27 N1G 0.0 2_956 2_956
C30 C27 C30 141.4 2_956 .
N1G C27 C30 141.4 2_956 .
C30 C27 N1G 141.4 2_956 .
N1G C27 N1G 141.4 2_956 .
C30 C27 N1G 0.0 . .
C30 C27 C26 9.8 2_956 2_956
N1G C27 C26 9.8 2_956 2_956
C30 C27 C26 132.1 . 2_956
N1G C27 C26 132.1 . 2_956
C30 C27 N1C 9.8 2_956 2_956
N1G C27 N1C 9.8 2_956 2_956
C30 C27 N1C 132.1 . 2_956
N1G C27 N1C 132.1 . 2_956
C26 C27 N1C 0.0 2_956 2_956
C30 C27 N1C 132.1 2_956 .
N1G C27 N1C 132.1 2_956 .
C30 C27 N1C 9.8 . .
N1G C27 N1C 9.8 . .
C26 C27 N1C 123.1 2_956 .
N1C C27 N1C 123.1 2_956 .
C30 C27 C26 132.1 2_956 .
N1G C27 C26 132.1 2_956 .
C30 C27 C26 9.8 . .
N1G C27 C26 9.8 . .
C26 C27 C26 123.1 2_956 .
N1C C27 C26 123.1 2_956 .
N1C C27 C26 0.0 . .
C30 C27 N1F 113.6 2_956 .
N1G C27 N1F 113.6 2_956 .
C30 C27 N1F 27.8 . .
N1G C27 N1F 27.8 . .
C26 C27 N1F 104.6 2_956 .
N1C C27 N1F 104.6 2_956 .
N1C C27 N1F 18.5 . .
C26 C27 N1F 18.5 . .
C30 C27 N1F 27.8 2_956 2_956
N1G C27 N1F 27.8 2_956 2_956
C30 C27 N1F 113.6 . 2_956
N1G C27 N1F 113.6 . 2_956
C26 C27 N1F 18.5 2_956 2_956
N1C C27 N1F 18.5 2_956 2_956
N1C C27 N1F 104.6 . 2_956
C26 C27 N1F 104.6 . 2_956
N1F C27 N1F 86.1 . 2_956
C30 C27 C29 27.8 2_956 2_956
N1G C27 C29 27.8 2_956 2_956
C30 C27 C29 113.6 . 2_956
N1G C27 C29 113.6 . 2_956
C26 C27 C29 18.5 2_956 2_956
N1C C27 C29 18.5 2_956 2_956
N1C C27 C29 104.6 . 2_956
C26 C27 C29 104.6 . 2_956
N1F C27 C29 86.1 . 2_956
N1F C27 C29 0.0 2_956 2_956
C30 C27 C29 113.6 2_956 .
N1G C27 C29 113.6 2_956 .
C30 C27 C29 27.8 . .
N1G C27 C29 27.8 . .
C26 C27 C29 104.6 2_956 .
N1C C27 C29 104.6 2_956 .
N1C C27 C29 18.5 . .
C26 C27 C29 18.5 . .
N1F C27 C29 0.0 . .
N1F C27 C29 86.1 2_956 .
C29 C27 C29 86.1 2_956 .
C30 C27 H27A 109.3 2_956 .
N1G C27 H27A 109.3 2_956 .
C30 C27 H27A 109.3 . .
N1G C27 H27A 109.3 . .
C26 C27 H27A 118.5 2_956 .
N1C C27 H27A 118.5 2_956 .
N1C C27 H27A 118.5 . .
C26 C27 H27A 118.5 . .
N1F C27 H27A 137.0 . .
N1F C27 H27A 137.0 2_956 .
C29 C27 H27A 137.0 2_956 .
C29 C27 H27A 137.0 . .
C30 C27 H30A 169.2 2_956 .
N1G C27 H30A 169.2 2_956 .
C30 C27 H30A 49.2 . .
N1G C27 H30A 49.2 . .
C26 C27 H30A 173.7 2_956 .
N1C C27 H30A 173.7 2_956 .
N1C C27 H30A 58.6 . .
C26 C27 H30A 58.6 . .
N1F C27 H30A 77.0 . .
N1F C27 H30A 162.0 2_956 .
C29 C27 H30A 162.0 2_956 .
C29 C27 H30A 77.0 . .
H27A C27 H30A 60.2 . .
C25 N1E N1B 0.0 . .
C25 N1E N1A 150.7 . .
N1B N1E N1A 150.7 . .
C25 N1E C24 150.7 . .
N1B N1E C24 150.7 . .
N1A N1E C24 0.0 . .
C25 N1E C29 18.4 . .
N1B N1E C29 18.4 . .
N1A N1E C29 132.5 . .
C24 N1E C29 132.5 . .
C25 N1E N1F 18.4 . .
N1B N1E N1F 18.4 . .
N1A N1E N1F 132.5 . .
C24 N1E N1F 132.5 . .
C29 N1E N1F 0.0 . .
C25 N1E C28 135.5 . 2_956
N1B N1E C28 135.5 . 2_956
N1A N1E C28 15.3 . 2_956
C24 N1E C28 15.3 . 2_956
C29 N1E C28 117.2 . 2_956
N1F N1E C28 117.2 . 2_956
C25 N1E N1E 135.5 . 2_956
N1B N1E N1E 135.5 . 2_956
N1A N1E N1E 15.3 . 2_956
C24 N1E N1E 15.3 . 2_956
C29 N1E N1E 117.2 . 2_956
N1F N1E N1E 117.2 . 2_956
C28 N1E N1E 0.0 2_956 2_956
C25 N1E C25 120.9 . 2_956
N1B N1E C25 120.9 . 2_956
N1A N1E C25 29.9 . 2_956
C24 N1E C25 29.9 . 2_956
C29 N1E C25 102.6 . 2_956
N1F N1E C25 102.6 . 2_956
C28 N1E C25 14.7 2_956 2_956
N1E N1E C25 14.7 2_956 2_956
C25 N1E N1B 120.9 . 2_956
N1B N1E N1B 120.9 . 2_956
N1A N1E N1B 29.9 . 2_956
C24 N1E N1B 29.9 . 2_956
C29 N1E N1B 102.6 . 2_956
N1F N1E N1B 102.6 . 2_956
C28 N1E N1B 14.7 2_956 2_956
N1E N1E N1B 14.7 2_956 2_956
C25 N1E N1B 0.0 2_956 2_956
C25 N1E C26 31.5 . .
N1B N1E C26 31.5 . .
N1A N1E C26 119.4 . .
C24 N1E C26 119.4 . .
C29 N1E C26 13.1 . .
N1F N1E C26 13.1 . .
C28 N1E C26 104.1 2_956 .
N1E N1E C26 104.1 2_956 .
C25 N1E C26 89.5 2_956 .
N1B N1E C26 89.5 2_956 .
C25 N1E N1C 31.5 . .
N1B N1E N1C 31.5 . .
N1A N1E N1C 119.4 . .
C24 N1E N1C 119.4 . .
C29 N1E N1C 13.1 . .
N1F N1E N1C 13.1 . .
C28 N1E N1C 104.1 2_956 .
N1E N1E N1C 104.1 2_956 .
C25 N1E N1C 89.5 2_956 .
N1B N1E N1C 89.5 2_956 .
C26 N1E N1C 0.0 . .
C25 N1E H24A 163.3 . .
N1B N1E H24A 163.3 . .
N1A N1E H24A 45.7 . .
C24 N1E H24A 45.7 . .
C29 N1E H24A 178.0 . .
N1F N1E H24A 178.0 . .
C28 N1E H24A 61.0 2_956 .
N1E N1E H24A 61.0 2_956 .
C25 N1E H24A 75.7 2_956 .
N1B N1E H24A 75.7 2_956 .
C26 N1E H24A 165.1 . .
N1C N1E H24A 165.1 . .
C25 N1E H25A 45.9 . .
N1B N1E H25A 45.9 . .
N1A N1E H25A 163.1 . .
C24 N1E H25A 163.1 . .
C29 N1E H25A 64.3 . .
N1F N1E H25A 64.3 . .
C28 N1E H25A 177.4 2_956 .
N1E N1E H25A 177.4 2_956 .
C25 N1E H25A 166.8 2_956 .
N1B N1E H25A 166.8 2_956 .
C26 N1E H25A 77.4 . .
N1C N1E H25A 77.4 . .
H24A N1E H25A 117.5 . .
C25 N1E H28A 103.1 . .
N1B N1E H28A 103.1 . .
N1A N1E H28A 106.1 . .
C24 N1E H28A 106.1 . .
C29 N1E H28A 121.4 . .
N1F N1E H28A 121.4 . .
C28 N1E H28A 121.4 2_956 .
N1E N1E H28A 121.4 2_956 .
C25 N1E H28A 136.0 2_956 .
N1B N1E H28A 136.0 2_956 .
C26 N1E H28A 134.5 . .
N1C N1E H28A 134.5 . .
H24A N1E H28A 60.4 . .
H25A N1E H28A 57.2 . .
C25 C28 N1B 0.0 . .
C25 C28 N1A 150.7 . .
N1B C28 N1A 150.7 . .
C25 C28 C24 150.7 . .
N1B C28 C24 150.7 . .
N1A C28 C24 0.0 . .
C25 C28 C29 18.4 . .
N1B C28 C29 18.4 . .
N1A C28 C29 132.5 . .
C24 C28 C29 132.5 . .
C25 C28 N1F 18.4 . .
N1B C28 N1F 18.4 . .
N1A C28 N1F 132.5 . .
C24 C28 N1F 132.5 . .
C29 C28 N1F 0.0 . .
C25 C28 C28 135.5 . 2_956
N1B C28 C28 135.5 . 2_956
N1A C28 C28 15.3 . 2_956
C24 C28 C28 15.3 . 2_956
C29 C28 C28 117.2 . 2_956
N1F C28 C28 117.2 . 2_956
C25 C28 N1E 135.5 . 2_956
N1B C28 N1E 135.5 . 2_956
N1A C28 N1E 15.3 . 2_956
C24 C28 N1E 15.3 . 2_956
C29 C28 N1E 117.2 . 2_956
N1F C28 N1E 117.2 . 2_956
C28 C28 N1E 0.0 2_956 2_956
C25 C28 C25 120.9 . 2_956
N1B C28 C25 120.9 . 2_956
N1A C28 C25 29.9 . 2_956
C24 C28 C25 29.9 . 2_956
C29 C28 C25 102.6 . 2_956
N1F C28 C25 102.6 . 2_956
C28 C28 C25 14.7 2_956 2_956
N1E C28 C25 14.7 2_956 2_956
C25 C28 N1B 120.9 . 2_956
N1B C28 N1B 120.9 . 2_956
N1A C28 N1B 29.9 . 2_956
C24 C28 N1B 29.9 . 2_956
C29 C28 N1B 102.6 . 2_956
N1F C28 N1B 102.6 . 2_956
C28 C28 N1B 14.7 2_956 2_956
N1E C28 N1B 14.7 2_956 2_956
C25 C28 N1B 0.0 2_956 2_956
C25 C28 C26 31.5 . .
N1B C28 C26 31.5 . .
N1A C28 C26 119.4 . .
C24 C28 C26 119.4 . .
C29 C28 C26 13.1 . .
N1F C28 C26 13.1 . .
C28 C28 C26 104.1 2_956 .
N1E C28 C26 104.1 2_956 .
C25 C28 C26 89.5 2_956 .
N1B C28 C26 89.5 2_956 .
C25 C28 N1C 31.5 . .
N1B C28 N1C 31.5 . .
N1A C28 N1C 119.4 . .
C24 C28 N1C 119.4 . .
C29 C28 N1C 13.1 . .
N1F C28 N1C 13.1 . .
C28 C28 N1C 104.1 2_956 .
N1E C28 N1C 104.1 2_956 .
C25 C28 N1C 89.5 2_956 .
N1B C28 N1C 89.5 2_956 .
C26 C28 N1C 0.0 . .
C25 C28 H24A 163.3 . .
N1B C28 H24A 163.3 . .
N1A C28 H24A 45.7 . .
C24 C28 H24A 45.7 . .
C29 C28 H24A 178.0 . .
N1F C28 H24A 178.0 . .
C28 C28 H24A 61.0 2_956 .
N1E C28 H24A 61.0 2_956 .
C25 C28 H24A 75.7 2_956 .
N1B C28 H24A 75.7 2_956 .
C26 C28 H24A 165.1 . .
N1C C28 H24A 165.1 . .
C25 C28 H25A 45.9 . .
N1B C28 H25A 45.9 . .
N1A C28 H25A 163.1 . .
C24 C28 H25A 163.1 . .
C29 C28 H25A 64.3 . .
N1F C28 H25A 64.3 . .
C28 C28 H25A 177.4 2_956 .
N1E C28 H25A 177.4 2_956 .
C25 C28 H25A 166.8 2_956 .
N1B C28 H25A 166.8 2_956 .
C26 C28 H25A 77.4 . .
N1C C28 H25A 77.4 . .
H24A C28 H25A 117.5 . .
C25 C28 H28A 103.1 . .
N1B C28 H28A 103.1 . .
N1A C28 H28A 106.1 . .
C24 C28 H28A 106.1 . .
C29 C28 H28A 121.4 . .
N1F C28 H28A 121.4 . .
C28 C28 H28A 121.4 2_956 .
N1E C28 H28A 121.4 2_956 .
C25 C28 H28A 136.0 2_956 .
N1B C28 H28A 136.0 2_956 .
C26 C28 H28A 134.5 . .
N1C C28 H28A 134.5 . .
H24A C28 H28A 60.4 . .
H25A C28 H28A 57.2 . .
C25 N1F N1B 0.0 . .
C25 N1F C26 161.1 . .
N1B N1F C26 161.1 . .
C25 N1F N1C 161.1 . .
N1B N1F N1C 161.1 . .
C26 N1F N1C 0.0 . .
C25 N1F C30 141.2 . .
N1B N1F C30 141.2 . .
C26 N1F C30 20.1 . .
N1C N1F C30 20.1 . .
C25 N1F N1G 141.2 . .
N1B N1F N1G 141.2 . .
C26 N1F N1G 20.1 . .
N1C N1F N1G 20.1 . .
C30 N1F N1G 0.0 . .
C25 N1F C28 17.8 . .
N1B N1F C28 17.8 . .
C26 N1F C28 143.4 . .
N1C N1F C28 143.4 . .
C30 N1F C28 123.4 . .
N1G N1F C28 123.4 . .
C25 N1F N1E 17.8 . .
N1B N1F N1E 17.8 . .
C26 N1F N1E 143.4 . .
N1C N1F N1E 143.4 . .
C30 N1F N1E 123.4 . .
N1G N1F N1E 123.4 . .
C28 N1F N1E 0.0 . .
C25 N1F N1A 33.8 . .
N1B N1F N1A 33.8 . .
C26 N1F N1A 127.4 . .
N1C N1F N1A 127.4 . .
C30 N1F N1A 107.5 . .
N1G N1F N1A 107.5 . .
C28 N1F N1A 16.0 . .
N1E N1F N1A 16.0 . .
C25 N1F C24 33.8 . .
N1B N1F C24 33.8 . .
C26 N1F C24 127.4 . .
N1C N1F C24 127.4 . .
C30 N1F C24 107.5 . .
N1G N1F C24 107.5 . .
C28 N1F C24 16.0 . .
N1E N1F C24 16.0 . .
N1A N1F C24 0.0 . .
C25 N1F C27 127.5 . .
N1B N1F C27 127.5 . .
C26 N1F C27 33.7 . .
N1C N1F C27 33.7 . .
C30 N1F C27 13.8 . .
N1G N1F C27 13.8 . .
C28 N1F C27 109.7 . .
N1E N1F C27 109.7 . .
N1A N1F C27 93.7 . .
C24 N1F C27 93.7 . .
C25 N1F N1D 127.5 . .
N1B N1F N1D 127.5 . .
C26 N1F N1D 33.7 . .
N1C N1F N1D 33.7 . .
C30 N1F N1D 13.8 . .
N1G N1F N1D 13.8 . .
C28 N1F N1D 109.7 . .
N1E N1F N1D 109.7 . .
N1A N1F N1D 93.7 . .
C24 N1F N1D 93.7 . .
C27 N1F N1D 0.0 . .
C25 N1F H25A 42.1 . .
N1B N1F H25A 42.1 . .
C26 N1F H25A 156.7 . .
N1C N1F H25A 156.7 . .
C30 N1F H25A 176.6 . .
N1G N1F H25A 176.6 . .
C28 N1F H25A 59.9 . .
N1E N1F H25A 59.9 . .
N1A N1F H25A 75.8 . .
C24 N1F H25A 75.8 . .
C27 N1F H25A 169.5 . .
N1D N1F H25A 169.5 . .
C25 N1F H26A 158.5 . .
N1B N1F H26A 158.5 . .
C26 N1F H26A 40.3 . .
N1C N1F H26A 40.3 . .
C30 N1F H26A 60.3 . .
N1G N1F H26A 60.3 . .
C28 N1F H26A 176.3 . .
N1E N1F H26A 176.3 . .
N1A N1F H26A 167.7 . .
C24 N1F H26A 167.7 . .
C27 N1F H26A 74.0 . .
N1D N1F H26A 74.0 . .
H25A N1F H26A 116.4 . .
C25 N1F H29A 100.5 . .
N1B N1F H29A 100.5 . .
C26 N1F H29A 98.3 . .
N1C N1F H29A 98.3 . .
C30 N1F H29A 118.3 . .
N1G N1F H29A 118.3 . .
C28 N1F H29A 118.3 . .
N1E N1F H29A 118.3 . .
N1A N1F H29A 134.2 . .
C24 N1F H29A 134.2 . .
C27 N1F H29A 131.9 . .
N1D N1F H29A 131.9 . .
H25A N1F H29A 58.4 . .
H26A N1F H29A 58.0 . .
C25 C29 N1B 0.0 . .
C25 C29 C26 161.1 . .
N1B C29 C26 161.1 . .
C25 C29 N1C 161.1 . .
N1B C29 N1C 161.1 . .
C26 C29 N1C 0.0 . .
C25 C29 C30 141.2 . .
N1B C29 C30 141.2 . .
C26 C29 C30 20.1 . .
N1C C29 C30 20.1 . .
C25 C29 N1G 141.2 . .
N1B C29 N1G 141.2 . .
C26 C29 N1G 20.1 . .
N1C C29 N1G 20.1 . .
C30 C29 N1G 0.0 . .
C25 C29 C28 17.8 . .
N1B C29 C28 17.8 . .
C26 C29 C28 143.4 . .
N1C C29 C28 143.4 . .
C30 C29 C28 123.4 . .
N1G C29 C28 123.4 . .
C25 C29 N1E 17.8 . .
N1B C29 N1E 17.8 . .
C26 C29 N1E 143.4 . .
N1C C29 N1E 143.4 . .
C30 C29 N1E 123.4 . .
N1G C29 N1E 123.4 . .
C28 C29 N1E 0.0 . .
C25 C29 N1A 33.8 . .
N1B C29 N1A 33.8 . .
C26 C29 N1A 127.4 . .
N1C C29 N1A 127.4 . .
C30 C29 N1A 107.5 . .
N1G C29 N1A 107.5 . .
C28 C29 N1A 16.0 . .
N1E C29 N1A 16.0 . .
C25 C29 C24 33.8 . .
N1B C29 C24 33.8 . .
C26 C29 C24 127.4 . .
N1C C29 C24 127.4 . .
C30 C29 C24 107.5 . .
N1G C29 C24 107.5 . .
C28 C29 C24 16.0 . .
N1E C29 C24 16.0 . .
N1A C29 C24 0.0 . .
C25 C29 C27 127.5 . .
N1B C29 C27 127.5 . .
C26 C29 C27 33.7 . .
N1C C29 C27 33.7 . .
C30 C29 C27 13.8 . .
N1G C29 C27 13.8 . .
C28 C29 C27 109.7 . .
N1E C29 C27 109.7 . .
N1A C29 C27 93.7 . .
C24 C29 C27 93.7 . .
C25 C29 N1D 127.5 . .
N1B C29 N1D 127.5 . .
C26 C29 N1D 33.7 . .
N1C C29 N1D 33.7 . .
C30 C29 N1D 13.8 . .
N1G C29 N1D 13.8 . .
C28 C29 N1D 109.7 . .
N1E C29 N1D 109.7 . .
N1A C29 N1D 93.7 . .
C24 C29 N1D 93.7 . .
C27 C29 N1D 0.0 . .
C25 C29 H25A 42.1 . .
N1B C29 H25A 42.1 . .
C26 C29 H25A 156.7 . .
N1C C29 H25A 156.7 . .
C30 C29 H25A 176.6 . .
N1G C29 H25A 176.6 . .
C28 C29 H25A 59.9 . .
N1E C29 H25A 59.9 . .
N1A C29 H25A 75.8 . .
C24 C29 H25A 75.8 . .
C27 C29 H25A 169.5 . .
N1D C29 H25A 169.5 . .
C25 C29 H26A 158.5 . .
N1B C29 H26A 158.5 . .
C26 C29 H26A 40.3 . .
N1C C29 H26A 40.3 . .
C30 C29 H26A 60.3 . .
N1G C29 H26A 60.3 . .
C28 C29 H26A 176.3 . .
N1E C29 H26A 176.3 . .
N1A C29 H26A 167.7 . .
C24 C29 H26A 167.7 . .
C27 C29 H26A 74.0 . .
N1D C29 H26A 74.0 . .
H25A C29 H26A 116.4 . .
C25 C29 H29A 100.5 . .
N1B C29 H29A 100.5 . .
C26 C29 H29A 98.3 . .
N1C C29 H29A 98.3 . .
C30 C29 H29A 118.3 . .
N1G C29 H29A 118.3 . .
C28 C29 H29A 118.3 . .
N1E C29 H29A 118.3 . .
N1A C29 H29A 134.2 . .
C24 C29 H29A 134.2 . .
C27 C29 H29A 131.9 . .
N1D C29 H29A 131.9 . .
H25A C29 H29A 58.4 . .
H26A C29 H29A 58.0 . .
C26 N1G N1C 0.0 . .
C26 N1G C27 160.1 . .
N1C N1G C27 160.1 . .
C26 N1G N1D 160.1 . .
N1C N1G N1D 160.1 . .
C27 N1G N1D 0.0 . .
C26 N1G C30 141.5 . 2_956
N1C N1G C30 141.5 . 2_956
C27 N1G C30 19.3 . 2_956
N1D N1G C30 19.3 . 2_956
C26 N1G N1G 141.5 . 2_956
N1C N1G N1G 141.5 . 2_956
C27 N1G N1G 19.3 . 2_956
N1D N1G N1G 19.3 . 2_956
C30 N1G N1G 0.0 2_956 2_956
C26 N1G C29 23.0 . .
N1C N1G C29 23.0 . .
C27 N1G C29 138.4 . .
N1D N1G C29 138.4 . .
C30 N1G C29 119.1 2_956 .
N1G N1G C29 119.1 2_956 .
C26 N1G N1F 23.0 . .
N1C N1G N1F 23.0 . .
C27 N1G N1F 138.4 . .
N1D N1G N1F 138.4 . .
C30 N1G N1F 119.1 2_956 .
N1G N1G N1F 119.1 2_956 .
C29 N1G N1F 0.0 . .
C26 N1G C26 129.3 . 2_956
N1C N1G C26 129.3 . 2_956
C27 N1G C26 32.1 . 2_956
N1D N1G C26 32.1 . 2_956
C30 N1G C26 13.0 2_956 2_956
N1G N1G C26 13.0 2_956 2_956
C29 N1G C26 106.6 . 2_956
N1F N1G C26 106.6 . 2_956
C26 N1G N1C 129.3 . 2_956
N1C N1G N1C 129.3 . 2_956
C27 N1G N1C 32.1 . 2_956
N1D N1G N1C 32.1 . 2_956
C30 N1G N1C 13.0 2_956 2_956
N1G N1G N1C 13.0 2_956 2_956
C29 N1G N1C 106.6 . 2_956
N1F N1G N1C 106.6 . 2_956
C26 N1G N1C 0.0 2_956 2_956
C26 N1G N1B 36.3 . .
N1C N1G N1B 36.3 . .
C27 N1G N1B 125.1 . .
N1D N1G N1B 125.1 . .
C30 N1G N1B 105.8 2_956 .
N1G N1G N1B 105.8 2_956 .
C29 N1G N1B 13.4 . .
N1F N1G N1B 13.4 . .
C26 N1G N1B 93.2 2_956 .
N1C N1G N1B 93.2 2_956 .
C26 N1G C25 36.3 . .
N1C N1G C25 36.3 . .
C27 N1G C25 125.1 . .
N1D N1G C25 125.1 . .
C30 N1G C25 105.8 2_956 .
N1G N1G C25 105.8 2_956 .
C29 N1G C25 13.4 . .
N1F N1G C25 13.4 . .
C26 N1G C25 93.2 2_956 .
N1C N1G C25 93.2 2_956 .
N1B N1G C25 0.0 . .
C26 N1G H26A 42.9 . .
N1C N1G H26A 42.9 . .
C27 N1G H26A 155.0 . .
N1D N1G H26A 155.0 . .
C30 N1G H26A 172.4 2_956 .
N1G N1G H26A 172.4 2_956 .
C29 N1G H26A 65.7 . .
N1F N1G H26A 65.7 . .
C26 N1G H26A 171.8 2_956 .
N1C N1G H26A 171.8 2_956 .
N1B N1G H26A 79.1 . .
C25 N1G H26A 79.1 . .
C26 N1G H27A 154.0 . .
N1C N1G H27A 154.0 . .
C27 N1G H27A 43.8 . .
N1D N1G H27A 43.8 . .
C30 N1G H27A 63.1 2_956 .
N1G N1G H27A 63.1 2_956 .
C29 N1G H27A 175.8 . .
N1F N1G H27A 175.8 . .
C26 N1G H27A 75.8 2_956 .
N1C N1G H27A 75.8 2_956 .
N1B N1G H27A 168.6 . .
C25 N1G H27A 168.6 . .
H26A N1G H27A 111.7 . .
C26 N1G H30A 97.9 . .
N1C N1G H30A 97.9 . .
C27 N1G H30A 101.2 . .
N1D N1G H30A 101.2 . .
C30 N1G H30A 120.4 2_956 .
N1G N1G H30A 120.4 2_956 .
C29 N1G H30A 120.5 . .
N1F N1G H30A 120.5 . .
C26 N1G H30A 132.9 2_956 .
N1C N1G H30A 132.9 2_956 .
N1B N1G H30A 133.7 . .
C25 N1G H30A 133.7 . .
H26A N1G H30A 55.1 . .
H27A N1G H30A 57.5 . .
C26 C30 N1C 0.0 . .
C26 C30 C27 160.1 . .
N1C C30 C27 160.1 . .
C26 C30 N1D 160.1 . .
N1C C30 N1D 160.1 . .
C27 C30 N1D 0.0 . .
C26 C30 C30 141.5 . 2_956
N1C C30 C30 141.5 . 2_956
C27 C30 C30 19.3 . 2_956
N1D C30 C30 19.3 . 2_956
C26 C30 N1G 141.5 . 2_956
N1C C30 N1G 141.5 . 2_956
C27 C30 N1G 19.3 . 2_956
N1D C30 N1G 19.3 . 2_956
C30 C30 N1G 0.0 2_956 2_956
C26 C30 C29 23.0 . .
N1C C30 C29 23.0 . .
C27 C30 C29 138.4 . .
N1D C30 C29 138.4 . .
C30 C30 C29 119.1 2_956 .
N1G C30 C29 119.1 2_956 .
C26 C30 N1F 23.0 . .
N1C C30 N1F 23.0 . .
C27 C30 N1F 138.4 . .
N1D C30 N1F 138.4 . .
C30 C30 N1F 119.1 2_956 .
N1G C30 N1F 119.1 2_956 .
C29 C30 N1F 0.0 . .
C26 C30 C26 129.3 . 2_956
N1C C30 C26 129.3 . 2_956
C27 C30 C26 32.1 . 2_956
N1D C30 C26 32.1 . 2_956
C30 C30 C26 13.0 2_956 2_956
N1G C30 C26 13.0 2_956 2_956
C29 C30 C26 106.6 . 2_956
N1F C30 C26 106.6 . 2_956
C26 C30 N1C 129.3 . 2_956
N1C C30 N1C 129.3 . 2_956
C27 C30 N1C 32.1 . 2_956
N1D C30 N1C 32.1 . 2_956
C30 C30 N1C 13.0 2_956 2_956
N1G C30 N1C 13.0 2_956 2_956
C29 C30 N1C 106.6 . 2_956
N1F C30 N1C 106.6 . 2_956
C26 C30 N1C 0.0 2_956 2_956
C26 C30 N1B 36.3 . .
N1C C30 N1B 36.3 . .
C27 C30 N1B 125.1 . .
N1D C30 N1B 125.1 . .
C30 C30 N1B 105.8 2_956 .
N1G C30 N1B 105.8 2_956 .
C29 C30 N1B 13.4 . .
N1F C30 N1B 13.4 . .
C26 C30 N1B 93.2 2_956 .
N1C C30 N1B 93.2 2_956 .
C26 C30 C25 36.3 . .
N1C C30 C25 36.3 . .
C27 C30 C25 125.1 . .
N1D C30 C25 125.1 . .
C30 C30 C25 105.8 2_956 .
N1G C30 C25 105.8 2_956 .
C29 C30 C25 13.4 . .
N1F C30 C25 13.4 . .
C26 C30 C25 93.2 2_956 .
N1C C30 C25 93.2 2_956 .
N1B C30 C25 0.0 . .
C26 C30 H26A 42.9 . .
N1C C30 H26A 42.9 . .
C27 C30 H26A 155.0 . .
N1D C30 H26A 155.0 . .
C30 C30 H26A 172.4 2_956 .
N1G C30 H26A 172.4 2_956 .
C29 C30 H26A 65.7 . .
N1F C30 H26A 65.7 . .
C26 C30 H26A 171.8 2_956 .
N1C C30 H26A 171.8 2_956 .
N1B C30 H26A 79.1 . .
C25 C30 H26A 79.1 . .
C26 C30 H27A 154.0 . .
N1C C30 H27A 154.0 . .
C27 C30 H27A 43.8 . .
N1D C30 H27A 43.8 . .
C30 C30 H27A 63.1 2_956 .
N1G C30 H27A 63.1 2_956 .
C29 C30 H27A 175.8 . .
N1F C30 H27A 175.8 . .
C26 C30 H27A 75.8 2_956 .
N1C C30 H27A 75.8 2_956 .
N1B C30 H27A 168.6 . .
C25 C30 H27A 168.6 . .
H26A C30 H27A 111.7 . .
C26 C30 H30A 97.9 . .
N1C C30 H30A 97.9 . .
C27 C30 H30A 101.2 . .
N1D C30 H30A 101.2 . .
C30 C30 H30A 120.4 2_956 .
N1G C30 H30A 120.4 2_956 .
C29 C30 H30A 120.5 . .
N1F C30 H30A 120.5 . .
C26 C30 H30A 132.9 2_956 .
N1C C30 H30A 132.9 2_956 .
N1B C30 H30A 133.7 . .
C25 C30 H30A 133.7 . .
H26A C30 H30A 55.1 . .
H27A C30 H30A 57.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.559(13) .
C1 S1 1.858(10) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C1A C2A 1.513(16) .
C1A S1 1.735(12) .
C1A H1AA 0.9700 .
C1A H1AB 0.9700 .
C2 S2 1.765(8) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2A S2 1.878(12) .
C2A H2AA 0.9700 .
C2A H2AB 0.9700 .
C3 C4 1.368(6) .
C3 S1 1.748(5) .
C3 S3 1.749(5) .
C4 S2 1.755(5) .
C4 S4 1.756(5) .
C5 C6 1.372(6) .
C5 S3 1.745(5) .
C5 S4 1.760(5) .
C6 S5 1.746(5) .
C6 S6 1.747(5) .
C7 C8 1.357(6) .
C7 S7 1.754(5) .
C7 S5 1.763(5) .
C8 S8 1.743(5) .
C8 S6 1.757(5) .
C9 C10 1.464(17) .
C9 S7 1.766(13) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9A C10A 1.535(17) .
C9A S7 1.874(14) .
C9A H9AA 0.9700 .
C9A H9AB 0.9700 .
C10 S8 1.844(13) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10A S8 1.780(10) .
C10A H10C 0.9700 .
C10A H10D 0.9700 .
C11 C12 1.502(8) .
C11 S9 1.804(6) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 S10 1.809(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.350(6) .
C13 S11 1.753(5) .
C13 S9 1.754(5) .
C14 S10 1.751(5) .
C14 S12 1.760(5) .
C15 C16 1.384(6) .
C15 S11 1.737(5) .
C15 S12 1.748(5) .
C16 S13 1.741(5) .
C16 S14 1.748(5) .
C17 C18 1.360(6) .
C17 S15 1.750(5) .
C17 S13 1.762(5) .
C18 S16 1.746(5) .
C18 S14 1.768(5) .
C19 C20 1.517(7) .
C19 S15 1.815(5) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 S16 1.827(5) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
Ga1 O5 1.974(4) 2_856
Ga1 O5 1.974(3) .
Ga1 O3 1.977(3) .
Ga1 O3 1.977(3) 2_856
Ga1 O1 1.977(3) .
Ga1 O1 1.977(3) 2_856
O1 C21 1.289(6) .
C21 O2 1.228(6) .
C21 C22 1.586(7) 2_856
O3 C22 1.285(6) .
C22 O4 1.231(6) .
C22 C21 1.586(7) 2_856
O5 C23 1.284(6) .
C23 O6 1.225(6) .
C23 C23 1.576(11) 2_856
O1W H1W 1.25(2) .
O1W H2W 1.250(19) .
N1A C28 0.6531 2_956
N1A N1E 0.6531 2_956
N1A C28 0.6531 .
N1A N1E 0.6531 .
N1A C25 1.2525 2_956
N1A N1B 1.2525 2_956
N1A N1B 1.2525 .
N1A C25 1.2525 .
N1A C29 1.7472 2_956
N1A N1F 1.7472 2_956
N1A N1F 1.7472 .
N1A C29 1.7472 .
N1A H24A 0.9649 .
N1A H28A 1.3066 .
C24 C28 0.6531 2_956
C24 N1E 0.6531 2_956
C24 C28 0.6531 .
C24 N1E 0.6531 .
C24 C25 1.2525 2_956
C24 N1B 1.2525 2_956
C24 N1B 1.2525 .
C24 C25 1.2525 .
C24 C29 1.7472 2_956
C24 N1F 1.7472 2_956
C24 N1F 1.7472 .
C24 C29 1.7472 .
C24 H24A 0.9649 .
C24 H28A 1.3066 .
N1B C28 0.6413 .
N1B N1E 0.6413 .
N1B C29 0.6613 .
N1B N1F 0.6613 .
N1B N1C 1.3468 .
N1B C26 1.3468 .
N1B C28 1.7754 2_956
N1B N1E 1.7754 2_956
N1B N1G 1.7945 .
N1B C30 1.7945 .
N1B H25A 0.9649 .
N1B H28A 1.2738 .
N1B H29A 1.2652 .
C25 C28 0.6413 .
C25 N1E 0.6413 .
C25 C29 0.6613 .
C25 N1F 0.6613 .
C25 N1C 1.3468 .
C25 C26 1.3468 .
C25 C28 1.7754 2_956
C25 N1E 1.7754 2_956
C25 N1G 1.7945 .
C25 C30 1.7945 .
C25 H25A 0.9649 .
C25 H28A 1.2738 .
C25 H29A 1.2652 .
N1C C30 0.6183 .
N1C N1G 0.6183 .
N1C C29 0.7040 .
N1C N1F 0.7040 .
N1C N1D 1.2308 .
N1C C27 1.2308 .
N1C C30 1.7187 2_956
N1C N1G 1.7187 2_956
N1C N1E 1.8517 .
N1C C28 1.8517 .
N1C H26A 0.9648 .
N1C H29A 1.2738 .
N1C H30A 1.2150 .
C26 C30 0.6183 .
C26 N1G 0.6183 .
C26 C29 0.7040 .
C26 N1F 0.7040 .
C26 N1D 1.2308 .
C26 C27 1.2308 .
C26 C30 1.7187 2_956
C26 N1G 1.7187 2_956
C26 N1E 1.8517 .
C26 C28 1.8517 .
C26 H26A 0.9648 .
C26 H29A 1.2738 .
C26 H30A 1.2150 .
N1D C30 0.6312 2_956
N1D N1G 0.6312 2_956
N1D C30 0.6312 .
N1D N1G 0.6312 .
N1D C26 1.2308 2_956
N1D N1C 1.2308 2_956
N1D N1F 1.7532 .
N1D N1F 1.7532 2_956
N1D C29 1.7532 2_956
N1D C29 1.7532 .
N1D H27A 0.9647 .
N1D H30A 1.2509 .
C27 C30 0.6312 2_956
C27 N1G 0.6312 2_956
C27 C30 0.6312 .
C27 N1G 0.6312 .
C27 C26 1.2308 2_956
C27 N1C 1.2308 2_956
C27 N1F 1.7532 .
C27 N1F 1.7532 2_956
C27 C29 1.7532 2_956
C27 C29 1.7532 .
C27 H27A 0.9647 .
C27 H30A 1.2509 .
N1E C29 1.2383 .
N1E N1F 1.2383 .
N1E C28 1.2601 2_956
N1E N1E 1.2601 2_956
N1E C25 1.7754 2_956
N1E N1B 1.7754 2_956
N1E H24A 1.2999 .
N1E H25A 1.2939 .
N1E H28A 0.9648 .
C28 C29 1.2383 .
C28 N1F 1.2383 .
C28 C28 1.2601 2_956
C28 N1E 1.2601 2_956
C28 C25 1.7754 2_956
C28 N1B 1.7754 2_956
C28 H24A 1.2999 .
C28 H25A 1.2939 .
C28 H28A 0.9648 .
N1F C30 1.2306 .
N1F N1G 1.2306 .
N1F H25A 1.3477 .
N1F H26A 1.3873 .
N1F H29A 0.9648 .
C29 C30 1.2306 .
C29 N1G 1.2306 .
C29 H25A 1.3477 .
C29 H26A 1.3873 .
C29 H29A 0.9648 .
N1G C30 1.1913 2_956
N1G N1G 1.1913 2_956
N1G C26 1.7187 2_956
N1G N1C 1.7187 2_956
N1G H26A 1.3214 .
N1G H27A 1.3160 .
N1G H30A 0.9647 .
C30 C30 1.1913 2_956
C30 N1G 1.1913 2_956
C30 C26 1.7187 2_956
C30 N1C 1.7187 2_956
C30 H26A 1.3214 .
C30 H27A 1.3160 .
C30 H30A 0.9647 .
