#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:50:02 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179766 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/62/7006234.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_7006234
loop_
_publ_author_name
'Park, Mira'
'John, Rohith P.'
'Moon, Dohyun'
'Lee, Kyungjin'
'Kim, Ghyung Hwa'
'Lah, Myoung Soo'
_publ_section_title
;
 Two octanuclear gallium metallamacrocycles of topologically different
 connectivities.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5412
_journal_page_last               5418
_journal_paper_doi               10.1039/b710531b
_journal_year                    2007
_chemical_formula_sum            'C407 H612 Ga28 N112 O193'
_chemical_formula_weight         12114.25
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.56(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   73.383(15)
_cell_length_b                   37.028(7)
_cell_length_c                   40.988(8)
_cell_measurement_reflns_used    105910
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      25.95
_cell_measurement_theta_min      1.59
_cell_volume                     104280(4)
_computing_cell_refinement       HKL2000
_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    ORTEP3
_computing_publication_material  WinGX
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  'Pt coated Si double crystal monochromator'
_diffrn_radiation_source         'Fixed gap multiple wiggler beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.70000
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0812
_diffrn_reflns_limit_h_max       91
_diffrn_reflns_limit_h_min       -91
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            186273
_diffrn_reflns_theta_full        25.95
_diffrn_reflns_theta_max         25.95
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    1.522
_exptl_absorpt_correction_T_max  0.8039
_exptl_absorpt_correction_T_min  0.6582
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   HKL2000-Scalepack
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             50000
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.539
_refine_diff_density_min         -1.652
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     6774
_refine_ls_number_reflns         105910
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1146P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1745
_refine_ls_wR_factor_ref         0.1984
_reflns_number_gt                67823
_reflns_number_total             105910
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b710531b.txt
_cod_data_source_block           p6_49mo_complex3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        104279(36)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7006234
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
Ga1A Ga 0.005318(8) 0.679861(17) 0.961714(16) 0.023 Uani 1 1 d . . .
Ga2A Ga 0.017738(9) 0.560129(18) 0.936207(18) 0.029 Uani 1 1 d . . .
Ga3A Ga 0.042170(11) 0.465888(19) 0.88369(2) 0.042 Uani 1 1 d . . .
Ga4A Ga 0.089670(9) 0.513674(18) 0.840878(18) 0.030 Uani 1 1 d . . .
Ga5A Ga 0.129796(9) 0.602980(18) 0.817577(18) 0.029 Uani 1 1 d . . .
Ga6A Ga 0.119125(7) 0.722589(16) 0.850274(14) 0.017 Uani 1 1 d . . .
Ga7A Ga 0.090490(8) 0.819534(15) 0.892975(15) 0.019 Uani 1 1 d . . .
Ga8A Ga 0.044632(7) 0.771010(15) 0.939109(14) 0.016 Uani 1 1 d . . .
O1A O -0.01505(5) 0.65530(11) 0.92368(10) 0.029 Uani 1 1 d . . .
O2A O 0.04117(5) 0.59039(10) 0.95664(10) 0.029 Uani 1 1 d . . .
O3A O 0.04829(7) 0.46438(11) 0.93350(13) 0.042 Uani 1 1 d . . .
O4A O 0.01433(6) 0.56708(11) 0.88693(11) 0.034 Uani 1 1 d . . .
O5A O 0.03632(6) 0.46573(12) 0.83407(13) 0.046 Uani 1 1 d . . .
O6A O 0.09296(6) 0.52704(11) 0.88950(11) 0.035 Uani 1 1 d . . .
O7A O 0.14197(5) 0.56722(11) 0.85343(11) 0.031 Uani 1 1 d . . .
O8A O 0.07583(6) 0.55670(11) 0.81632(12) 0.036 Uani 1 1 d . . .
O9A O 0.11858(6) 0.63877(11) 0.78079(10) 0.032 Uani 1 1 d . . .
O10A O 0.12231(5) 0.68499(10) 0.88602(9) 0.022 Uani 1 1 d . . .
O11A O 0.11807(5) 0.81005(10) 0.91581(10) 0.023 Uani 1 1 d . . .
O12A O 0.09053(5) 0.72616(10) 0.82957(9) 0.020 Uani 1 1 d . . .
O13A O 0.06335(5) 0.83050(10) 0.86925(9) 0.021 Uani 1 1 d . . .
O14A O 0.07097(5) 0.75045(10) 0.95793(9) 0.020 Uani 1 1 d . . .
O15A O 0.02393(5) 0.70447(10) 1.00153(9) 0.025 Uani 1 1 d . . .
O16A O 0.03150(5) 0.73805(10) 0.89978(9) 0.024 Uani 1 1 d . B .
O17A O -0.01504(5) 0.71635(11) 0.95915(11) 0.034 Uani 1 1 d . . .
O18A O -0.00247(6) 0.65326(11) 0.99760(10) 0.029 Uani 1 1 d . . .
O19A O 0.01604(9) 0.44125(16) 0.87300(17) 0.076 Uani 1 1 d . . .
O20A O 0.05472(9) 0.41810(14) 0.88788(17) 0.068 Uani 1 1 d . . .
O21A O 0.13145(6) 0.57034(12) 0.78072(12) 0.042 Uani 1 1 d . . .
O22A O 0.15714(6) 0.61839(11) 0.82334(13) 0.040 Uani 1 1 d . . .
O23A O 0.09661(6) 0.85376(10) 0.86056(11) 0.030 Uani 1 1 d . . .
O24A O 0.09443(5) 0.86108(10) 0.92690(11) 0.028 Uani 1 1 d . . .
N1A N -0.01114(7) 0.54212(14) 0.92226(15) 0.040 Uani 1 1 d . . .
H1A1 H -0.0116 0.5183 0.9156 0.048 Uiso 1 1 calc R . .
H1A2 H -0.0145 0.5428 0.9418 0.048 Uiso 1 1 calc R . .
N2A N 0.00578(6) 0.60812(13) 0.93864(12) 0.026 Uani 1 1 d . . .
N3A N 0.01951(6) 0.63436(12) 0.95713(11) 0.023 Uani 1 1 d . . .
N4A N 0.02224(8) 0.53872(14) 0.98473(14) 0.039 Uani 1 1 d . . .
H4A1 H 0.0218 0.5576 0.9990 0.047 Uiso 1 1 calc R . .
H4A2 H 0.0118 0.5241 0.9827 0.047 Uiso 1 1 calc R . .
N5A N 0.03108(7) 0.51681(13) 0.92671(13) 0.029 Uani 1 1 d . . .
N6A N 0.02865(7) 0.51244(14) 0.89090(13) 0.033 Uani 1 1 d . . .
N7A N 0.08141(7) 0.48692(16) 0.79309(14) 0.042 Uani 1 1 d . . .
H7A1 H 0.0877 0.4980 0.7799 0.050 Uiso 1 1 calc R . .
H7A2 H 0.0862 0.4637 0.7973 0.050 Uiso 1 1 calc R . .
N8A N 0.06632(7) 0.49089(13) 0.84659(14) 0.032 Uani 1 1 d . . .
N9A N 0.06709(7) 0.49005(14) 0.88147(14) 0.034 Uani 1 1 d . . .
N10A N 0.10976(7) 0.47278(14) 0.86140(15) 0.040 Uani 1 1 d . . .
H10A H 0.1044 0.4574 0.8732 0.048 Uiso 1 1 calc R . .
H10B H 0.1108 0.4600 0.8429 0.048 Uiso 1 1 calc R . .
N11A N 0.11172(6) 0.54347(12) 0.83840(13) 0.027 Uani 1 1 d . . .
N12A N 0.10587(7) 0.57485(13) 0.81856(13) 0.029 Uani 1 1 d . . .
N13A N 0.12121(6) 0.74973(12) 0.80670(11) 0.020 Uani 1 1 d . . .
H13A H 0.1183 0.7737 0.8083 0.025 Uiso 1 1 calc R . .
H13B H 0.1339 0.7486 0.8078 0.025 Uiso 1 1 calc R . .
N14A N 0.12153(6) 0.67801(12) 0.82460(11) 0.021 Uani 1 1 d . . .
N15A N 0.12737(6) 0.64728(13) 0.84632(12) 0.024 Uani 1 1 d . . .
N16A N 0.14843(6) 0.73469(13) 0.87504(11) 0.022 Uani 1 1 d . . .
H16A H 0.1554 0.7146 0.8734 0.027 Uiso 1 1 calc R . .
H16B H 0.1515 0.7527 0.8624 0.027 Uiso 1 1 calc R . .
N17A N 0.11369(5) 0.76397(11) 0.87721(10) 0.015 Uani 1 1 d . . .
N18A N 0.09417(6) 0.77653(11) 0.86361(11) 0.018 Uani 1 1 d . . .
N19A N 0.02225(6) 0.80824(12) 0.91759(10) 0.019 Uani 1 1 d . . .
H19A H 0.0115 0.8005 0.9222 0.023 Uiso 1 1 calc R . .
H19B H 0.0260 0.8299 0.9289 0.023 Uiso 1 1 calc R . .
N20A N 0.05817(5) 0.79776(12) 0.91177(11) 0.017 Uani 1 1 d . . .
N21A N 0.07845(6) 0.79253(12) 0.92390(11) 0.019 Uani 1 1 d . . .
N22A N 0.05124(6) 0.80022(12) 0.98599(10) 0.019 Uani 1 1 d . . .
H22A H 0.0607 0.8169 0.9867 0.023 Uiso 1 1 calc R . .
H22B H 0.0403 0.8129 0.9850 0.023 Uiso 1 1 calc R . .
N23A N 0.03174(6) 0.73644(12) 0.96116(10) 0.019 Uani 1 1 d . . .
N24A N 0.01813(6) 0.71311(12) 0.93683(11) 0.023 Uani 1 1 d . B .
C1A C -0.02569(9) 0.56146(18) 0.89504(18) 0.039 Uani 1 1 d . . .
C2A C -0.02635(8) 0.59924(17) 0.89577(17) 0.034 Uani 1 1 d . . .
C3A C -0.04135(9) 0.6169(2) 0.86998(18) 0.047 Uani 1 1 d . . .
H3A H -0.0419 0.6425 0.8701 0.057 Uiso 1 1 calc R . .
C4A C -0.05559(11) 0.5979(2) 0.8441(2) 0.061 Uani 1 1 d . . .
H4A H -0.0659 0.6101 0.8268 0.074 Uiso 1 1 calc R . .
C5A C -0.05424(11) 0.5608(2) 0.8441(2) 0.068 Uani 1 1 d . . .
H5A H -0.0637 0.5475 0.8263 0.082 Uiso 1 1 calc R . .
C6A C -0.03983(10) 0.5425(2) 0.8688(2) 0.053 Uani 1 1 d . . .
H6A H -0.0394 0.5169 0.8682 0.064 Uiso 1 1 calc R . .
C7A C -0.01120(8) 0.62178(17) 0.92119(15) 0.028 Uani 1 1 d . . .
C8A C 0.03743(8) 0.62231(16) 0.96456(14) 0.026 Uani 1 1 d . . .
C9A C 0.05411(8) 0.64686(18) 0.98314(18) 0.041 Uani 1 1 d . . .
H9A H 0.0491 0.6712 0.9864 0.049 Uiso 1 1 calc R . .
C10A C 0.06876(10) 0.6507(2) 0.9643(2) 0.058 Uani 1 1 d . . .
H10C H 0.0659 0.6329 0.9451 0.070 Uiso 1 1 calc R . .
H10D H 0.0680 0.6753 0.9543 0.070 Uiso 1 1 calc R . .
C11A C 0.08878(12) 0.6442(3) 0.9906(3) 0.105 Uani 1 1 d . . .
H11A H 0.0938 0.6203 0.9869 0.126 Uiso 1 1 calc R . .
H11B H 0.0980 0.6630 0.9890 0.126 Uiso 1 1 calc R . .
C12A C 0.08643(11) 0.6455(3) 1.0246(3) 0.111 Uani 1 1 d . . .
H12A H 0.0876 0.6707 1.0333 0.133 Uiso 1 1 calc R . .
H12B H 0.0965 0.6306 1.0418 0.133 Uiso 1 1 calc R . .
C13A C 0.06642(11) 0.6308(3) 1.0189(2) 0.083 Uani 1 1 d . . .
H13C H 0.0616 0.6390 1.0374 0.099 Uiso 1 1 calc R . .
H13D H 0.0663 0.6041 1.0182 0.099 Uiso 1 1 calc R . .
C14A C 0.03967(10) 0.51813(19) 1.00290(17) 0.041 Uani 1 1 d . . .
C15A C 0.04787(9) 0.49445(18) 0.98503(18) 0.038 Uani 1 1 d . . .
C16A C 0.06384(11) 0.4729(2) 1.0036(2) 0.053 Uani 1 1 d . . .
H16C H 0.0694 0.4566 0.9918 0.064 Uiso 1 1 calc R . .
C17A C 0.07161(12) 0.4759(2) 1.0405(2) 0.068 Uani 1 1 d . . .
H17A H 0.0825 0.4617 1.0536 0.082 Uiso 1 1 calc R . .
C18A C 0.06329(12) 0.4999(2) 1.0574(2) 0.063 Uani 1 1 d . . .
H18A H 0.0687 0.5020 1.0820 0.075 Uiso 1 1 calc R . .
C19A C 0.04738(11) 0.5205(2) 1.03890(19) 0.050 Uani 1 1 d . . .
H19C H 0.0417 0.5364 1.0509 0.060 Uiso 1 1 calc R . .
C20A C 0.04165(9) 0.49168(18) 0.94653(18) 0.037 Uani 1 1 d . . .
C21A C 0.01975(8) 0.54061(16) 0.87227(16) 0.030 Uani 1 1 d . B .
C22A C 0.01623(10) 0.5426(2) 0.83469(17) 0.041 Uani 1 1 d . . .
H22C H 0.0169 0.5178 0.8255 0.049 Uiso 1 1 calc R A 1
C23A C -0.00359(12) 0.5599(3) 0.8137(2) 0.061 Uani 0.53 1 d P B 1
H23A H -0.0053 0.5830 0.8244 0.074 Uiso 0.53 1 calc PR B 1
H23B H -0.0144 0.5435 0.8128 0.074 Uiso 0.53 1 calc PR B 1
C24A C -0.0029(2) 0.5664(5) 0.7756(4) 0.061 Uani 0.53 1 d P B 1
H24A H -0.0070 0.5446 0.7609 0.073 Uiso 0.53 1 calc PR B 1
H24B H -0.0112 0.5870 0.7639 0.073 Uiso 0.53 1 calc PR B 1
C25A C 0.01850(18) 0.5746(4) 0.7838(3) 0.044 Uani 0.53 1 d P B 1
H25A H 0.0201 0.6001 0.7780 0.053 Uiso 0.53 1 calc PR B 1
H25B H 0.0237 0.5590 0.7695 0.053 Uiso 0.53 1 calc PR B 1
C26A C 0.03095(12) 0.5671(2) 0.8269(2) 0.058 Uani 0.53 1 d P B 1
H26A H 0.0435 0.5546 0.8308 0.069 Uiso 0.53 1 calc PR B 1
H26B H 0.0333 0.5897 0.8406 0.069 Uiso 0.53 1 calc PR B 1
C423 C -0.00359(12) 0.5599(3) 0.8137(2) 0.061 Uani 0.47 1 d P B 2
H42A H -0.0136 0.5554 0.8243 0.074 Uiso 0.47 1 calc PR B 2
H42B H -0.0085 0.5525 0.7890 0.074 Uiso 0.47 1 calc PR B 2
C424 C 0.0045(2) 0.6014(5) 0.8193(5) 0.067 Uani 0.47 1 d P B 2
H42C H -0.0004 0.6143 0.7967 0.080 Uiso 0.47 1 calc PR B 2
H42D H -0.0006 0.6139 0.8356 0.080 Uiso 0.47 1 calc PR B 2
C425 C 0.0267(2) 0.6030(6) 0.8335(6) 0.077 Uani 0.47 1 d P B 2
H42E H 0.0317 0.6207 0.8207 0.093 Uiso 0.47 1 calc PR B 2
H42F' H 0.0318 0.6087 0.8587 0.093 Uiso 0.47 1 calc PR B 2
C426 C 0.03095(12) 0.5671(2) 0.8269(2) 0.058 Uani 0.47 1 d P B 2
H42G H 0.0444 0.5606 0.8419 0.069 Uiso 0.47 1 calc PR B 2
H42H H 0.0299 0.5644 0.8022 0.069 Uiso 0.47 1 calc PR B 2
C27A C 0.06088(9) 0.48455(19) 0.77186(19) 0.043 Uani 1 1 d . . .
C28A C 0.04689(9) 0.47840(19) 0.78613(18) 0.041 Uani 1 1 d . . .
C29A C 0.02736(10) 0.4727(2) 0.7632(2) 0.058 Uani 1 1 d . . .
H29A H 0.0175 0.4676 0.7726 0.070 Uiso 1 1 calc R . .
C30A C 0.02276(11) 0.4743(3) 0.7285(2) 0.077 Uani 1 1 d . . .
H30A H 0.0097 0.4706 0.7136 0.093 Uiso 1 1 calc R . .
C31A C 0.03694(12) 0.4814(3) 0.7140(2) 0.078 Uani 1 1 d . . .
H31A H 0.0336 0.4827 0.6894 0.093 Uiso 1 1 calc R . .
C32A C 0.05578(11) 0.4864(2) 0.7358(2) 0.061 Uani 1 1 d . . .
H32A H 0.0655 0.4913 0.7261 0.074 Uiso 1 1 calc R . .
C33A C 0.05005(9) 0.47755(17) 0.82380(19) 0.040 Uani 1 1 d . . .
C34A C 0.08189(9) 0.50914(17) 0.90151(18) 0.037 Uani 1 1 d . . .
C35A C 0.08697(10) 0.5092(2) 0.94028(18) 0.045 Uani 1 1 d . . .
H35A H 0.0780 0.4923 0.9463 0.053 Uiso 1 1 calc R . .
C36A C 0.08599(10) 0.5464(2) 0.95609(19) 0.050 Uani 1 1 d . . .
H36A H 0.0724 0.5531 0.9527 0.059 Uiso 1 1 calc R . .
H36B H 0.0918 0.5652 0.9457 0.059 Uiso 1 1 calc R . .
C37A C 0.09819(12) 0.5409(2) 0.9955(2) 0.063 Uani 1 1 d . . .
H37A H 0.1057 0.5630 1.0053 0.075 Uiso 1 1 calc R . .
H37B H 0.0895 0.5355 1.0087 0.075 Uiso 1 1 calc R . .
C38A C 0.11219(13) 0.5088(3) 0.9979(2) 0.073 Uani 1 1 d . . .
H38A H 0.1259 0.5164 1.0090 0.088 Uiso 1 1 calc R . .
H38B H 0.1095 0.4887 1.0114 0.088 Uiso 1 1 calc R . .
C39A C 0.10808(12) 0.4975(2) 0.96022(19) 0.056 Uani 1 1 d . . .
H39A H 0.1095 0.4710 0.9586 0.067 Uiso 1 1 calc R . .
H39B H 0.1171 0.5097 0.9507 0.067 Uiso 1 1 calc R . .
C40A C 0.12934(10) 0.48083(18) 0.88443(19) 0.041 Uani 1 1 d . . .
C41A C 0.13917(9) 0.51179(17) 0.88064(17) 0.035 Uani 1 1 d . . .
C42A C 0.15885(9) 0.51616(19) 0.90220(18) 0.042 Uani 1 1 d . . .
H42O H 0.1659 0.5370 0.8998 0.051 Uiso 1 1 calc R . .
C43A C 0.16785(12) 0.4903(2) 0.9267(2) 0.061 Uani 1 1 d . . .
H43A H 0.1811 0.4932 0.9409 0.074 Uiso 1 1 calc R . .
C44A C 0.15787(12) 0.4605(2) 0.9307(2) 0.066 Uani 1 1 d . . .
H44A H 0.1643 0.4429 0.9477 0.079 Uiso 1 1 calc R . .
C45A C 0.13865(11) 0.4557(2) 0.9102(2) 0.055 Uani 1 1 d . . .
H45A H 0.1317 0.4353 0.9137 0.065 Uiso 1 1 calc R . .
C46A C 0.13065(8) 0.54203(16) 0.85612(16) 0.030 Uani 1 1 d . . .
C47A C 0.08669(8) 0.57914(17) 0.80772(17) 0.033 Uani 1 1 d . . .
C48A C 0.07738(9) 0.60892(19) 0.7836(2) 0.045 Uani 1 1 d . . .
H48A H 0.0876 0.6226 0.7779 0.054 Uiso 1 1 calc R . .
C49A C 0.06227(13) 0.5958(2) 0.7500(2) 0.070 Uani 1 1 d . . .
H49A H 0.0539 0.5771 0.7547 0.085 Uiso 1 1 calc R . .
H49B H 0.0685 0.5856 0.7342 0.085 Uiso 1 1 calc R . .
C50A C 0.05053(12) 0.6295(2) 0.7342(2) 0.063 Uani 1 1 d . . .
H50A H 0.0564 0.6424 0.7192 0.076 Uiso 1 1 calc R . .
H50B H 0.0369 0.6231 0.7201 0.076 Uiso 1 1 calc R . .
C51A C 0.05118(12) 0.6524(2) 0.7648(3) 0.075 Uani 1 1 d . . .
H51A H 0.0382 0.6533 0.7669 0.089 Uiso 1 1 calc R . .
H51B H 0.0552 0.6773 0.7618 0.089 Uiso 1 1 calc R . .
C52A C 0.06600(10) 0.63512(19) 0.7977(2) 0.051 Uani 1 1 d . . .
H52A H 0.0747 0.6537 0.8126 0.061 Uiso 1 1 calc R . .
H52B H 0.0593 0.6222 0.8114 0.061 Uiso 1 1 calc R . .
C53A C 0.10889(7) 0.73642(16) 0.77281(13) 0.024 Uani 1 1 d . . .
C54A C 0.10804(8) 0.69924(17) 0.76517(14) 0.027 Uani 1 1 d . . .
C55A C 0.09699(9) 0.68834(19) 0.73140(15) 0.035 Uani 1 1 d . . .
H55A H 0.0965 0.6635 0.7254 0.043 Uiso 1 1 calc R . .
C56A C 0.08670(10) 0.7132(2) 0.70644(16) 0.042 Uani 1 1 d . . .
H56A H 0.0792 0.7052 0.6837 0.050 Uiso 1 1 calc R . .
C57A C 0.08730(9) 0.7488(2) 0.71426(16) 0.040 Uani 1 1 d . . .
H57A H 0.0800 0.7657 0.6972 0.048 Uiso 1 1 calc R . .
C58A C 0.09877(8) 0.76069(17) 0.74762(14) 0.028 Uani 1 1 d . . .
H58A H 0.0996 0.7858 0.7529 0.034 Uiso 1 1 calc R . .
C59A C 0.11681(8) 0.67104(15) 0.79104(14) 0.024 Uani 1 1 d . . .
C60A C 0.12745(7) 0.65404(15) 0.87789(14) 0.022 Uani 1 1 d . . .
C61A C 0.13420(9) 0.62553(17) 0.90519(16) 0.031 Uani 1 1 d . . .
H61A H 0.1375 0.6031 0.8947 0.038 Uiso 1 1 calc R . .
C62A C 0.11941(10) 0.6164(2) 0.92244(19) 0.052 Uani 1 1 d . . .
H62A H 0.1135 0.6386 0.9278 0.062 Uiso 1 1 calc R . .
H62B H 0.1089 0.6007 0.9072 0.062 Uiso 1 1 calc R . .
C63A C 0.13141(12) 0.5967(2) 0.9557(2) 0.065 Uani 1 1 d . . .
H63A H 0.1249 0.5973 0.9732 0.078 Uiso 1 1 calc R . .
H63B H 0.1337 0.5713 0.9509 0.078 Uiso 1 1 calc R . .
C64A C 0.15014(11) 0.6179(2) 0.9680(2) 0.062 Uani 1 1 d . . .
H64A H 0.1614 0.6015 0.9783 0.074 Uiso 1 1 calc R . .
H64B H 0.1500 0.6357 0.9859 0.074 Uiso 1 1 calc R . .
C65A C 0.15177(11) 0.6370(3) 0.9364(2) 0.073 Uani 1 1 d . . .
H65A H 0.1640 0.6300 0.9330 0.088 Uiso 1 1 calc R . .
H65B H 0.1518 0.6635 0.9396 0.088 Uiso 1 1 calc R . .
C66A C 0.15545(7) 0.74591(15) 0.91133(13) 0.022 Uani 1 1 d . . .
C67A C 0.14480(7) 0.77076(15) 0.92383(13) 0.022 Uani 1 1 d . . .
C68A C 0.15324(7) 0.78297(17) 0.95814(15) 0.030 Uani 1 1 d . . .
H68A H 0.1466 0.8004 0.9668 0.036 Uiso 1 1 calc R . .
C69A C 0.17096(8) 0.7703(2) 0.97952(16) 0.041 Uani 1 1 d . . .
H69A H 0.1765 0.7792 1.0027 0.050 Uiso 1 1 calc R . .
C70A C 0.18071(8) 0.74457(19) 0.96728(15) 0.038 Uani 1 1 d . . .
H70A H 0.1927 0.7350 0.9824 0.045 Uiso 1 1 calc R . .
C71A C 0.17301(8) 0.73285(17) 0.93315(15) 0.031 Uani 1 1 d . . .
H71A H 0.1799 0.7157 0.9247 0.037 Uiso 1 1 calc R . .
C72A C 0.12480(7) 0.78270(15) 0.90406(14) 0.021 Uani 1 1 d . . .
C73A C 0.08341(7) 0.75482(14) 0.83821(13) 0.018 Uani 1 1 d . . .
C74A C 0.06262(7) 0.76414(15) 0.81831(13) 0.022 Uani 1 1 d . . .
H74A H 0.0595 0.7880 0.8265 0.027 Uiso 1 1 calc R . .
C75A C 0.05802(8) 0.76566(19) 0.77901(15) 0.037 Uani 1 1 d . . .
H75A H 0.0638 0.7448 0.7710 0.044 Uiso 1 1 calc R . .
H75B H 0.0630 0.7883 0.7722 0.044 Uiso 1 1 calc R . .
C76A C 0.03571(9) 0.7643(2) 0.76400(17) 0.046 Uani 1 1 d . . .
H76A H 0.0302 0.7889 0.7623 0.055 Uiso 1 1 calc R . .
H76B H 0.0312 0.7533 0.7405 0.055 Uiso 1 1 calc R . .
C77A C 0.02949(9) 0.7416(2) 0.78868(17) 0.044 Uani 1 1 d . . .
H77A H 0.0243 0.7180 0.7779 0.053 Uiso 1 1 calc R . .
H77B H 0.0193 0.7541 0.7950 0.053 Uiso 1 1 calc R . .
C78A C 0.04800(8) 0.73603(19) 0.82120(16) 0.036 Uani 1 1 d . . .
H78A H 0.0451 0.7398 0.8428 0.043 Uiso 1 1 calc R . .
H78B H 0.0532 0.7113 0.8215 0.043 Uiso 1 1 calc R . .
C79A C 0.01638(7) 0.81474(14) 0.88036(13) 0.019 Uani 1 1 d . . .
C80A C 0.03035(7) 0.82184(14) 0.86553(13) 0.017 Uani 1 1 d . . .
C81A C 0.02388(8) 0.83103(15) 0.82984(14) 0.024 Uani 1 1 d . . .
H81A H 0.0331 0.8374 0.8194 0.029 Uiso 1 1 calc R . .
C82A C 0.00437(8) 0.83091(15) 0.81007(14) 0.025 Uani 1 1 d . . .
H82A H 0.0002 0.8371 0.7861 0.031 Uiso 1 1 calc R . .
C83A C -0.00933(8) 0.82185(15) 0.82489(14) 0.025 Uani 1 1 d . . .
H83A H -0.0227 0.8203 0.8110 0.030 Uiso 1 1 calc R . .
C84A C -0.00306(7) 0.81497(15) 0.86071(14) 0.023 Uani 1 1 d . . .
H84A H -0.0124 0.8104 0.8715 0.027 Uiso 1 1 calc R . .
C85A C 0.05161(7) 0.81731(14) 0.88331(13) 0.018 Uani 1 1 d . . .
C86A C 0.08365(7) 0.76744(14) 0.94865(13) 0.018 Uani 1 1 d . . .
C87A C 0.10463(7) 0.75882(16) 0.96671(13) 0.023 Uani 1 1 d . . .
H87A H 0.1127 0.7773 0.9603 0.028 Uiso 1 1 calc R . .
C88A C 0.11063(8) 0.72124(17) 0.95890(17) 0.034 Uani 1 1 d . . .
H88A H 0.1001 0.7036 0.9562 0.041 Uiso 1 1 calc R . .
H88B H 0.1137 0.7215 0.9372 0.041 Uiso 1 1 calc R . .
C89A C 0.12862(9) 0.7116(2) 0.9901(2) 0.061 Uani 1 1 d . . .
H89A H 0.1404 0.7126 0.9837 0.073 Uiso 1 1 calc R . .
H89B H 0.1274 0.6870 0.9985 0.073 Uiso 1 1 calc R . .
C90A C 0.12988(10) 0.7395(3) 1.0183(2) 0.070 Uani 1 1 d . . .
H90A H 0.1326 0.7276 1.0411 0.084 Uiso 1 1 calc R . .
H90B H 0.1404 0.7572 1.0203 0.084 Uiso 1 1 calc R . .
C91A C 0.11020(8) 0.7582(2) 1.00684(15) 0.039 Uani 1 1 d . . .
H91A H 0.1113 0.7830 1.0165 0.046 Uiso 1 1 calc R . .
H91B H 0.1007 0.7443 1.0139 0.046 Uiso 1 1 calc R . .
C92A C 0.05788(7) 0.78034(15) 1.01848(13) 0.018 Uani 1 1 d . . .
C93A C 0.04897(7) 0.74839(14) 1.02240(13) 0.018 Uani 1 1 d . . .
C94A C 0.05457(7) 0.73182(15) 1.05518(13) 0.022 Uani 1 1 d . . .
H94A H 0.0483 0.7103 1.0580 0.027 Uiso 1 1 calc R . .
C95A C 0.06917(8) 0.74646(16) 1.08343(14) 0.028 Uani 1 1 d . . .
H95A H 0.0729 0.7351 1.1056 0.034 Uiso 1 1 calc R . .
C96A C 0.07824(8) 0.77786(17) 1.07908(15) 0.032 Uani 1 1 d . . .
H96A H 0.0884 0.7879 1.0982 0.038 Uiso 1 1 calc R . .
C97A C 0.07246(8) 0.79474(15) 1.04679(14) 0.025 Uani 1 1 d . . .
H97A H 0.0786 0.8165 1.0442 0.030 Uiso 1 1 calc R . .
C98A C 0.03382(7) 0.72940(14) 0.99375(13) 0.019 Uani 1 1 d . . .
C99A C 0.01905(7) 0.71688(15) 0.90528(13) 0.021 Uani 1 1 d . . .
C100 C 0.00503(9) 0.69659(18) 0.87549(15) 0.036 Uani 0.47 1 d P B 2
H100 H 0.0044 0.6706 0.8818 0.043 Uiso 0.47 1 calc PR B 2
C101 C -0.01701(17) 0.7169(4) 0.8670(3) 0.040 Uani 0.47 1 d P B 2
H10E H -0.0251 0.7026 0.8770 0.048 Uiso 0.47 1 calc PR B 2
H10F H -0.0153 0.7414 0.8774 0.048 Uiso 0.47 1 calc PR B 2
C102 C -0.0264(2) 0.7192(5) 0.8286(4) 0.066 Uani 0.47 1 d P B 2
H10G H -0.0270 0.7445 0.8204 0.080 Uiso 0.47 1 calc PR B 2
H10H H -0.0398 0.7091 0.8208 0.080 Uiso 0.47 1 calc PR B 2
C103 C -0.01183(15) 0.6943(3) 0.8144(2) 0.081 Uani 0.47 1 d P B 2
H10I H -0.0157 0.6686 0.8124 0.097 Uiso 0.47 1 calc PR B 2
H10J H -0.0119 0.7030 0.7915 0.097 Uiso 0.47 1 calc PR B 2
C104 C 0.0072(3) 0.6997(5) 0.8413(3) 0.055 Uani 0.47 1 d P B 2
H10K H 0.0123 0.7238 0.8388 0.066 Uiso 0.47 1 calc PR B 2
H10L H 0.0165 0.6812 0.8391 0.066 Uiso 0.47 1 calc PR B 2
C400 C 0.00503(9) 0.69659(18) 0.87549(15) 0.036 Uani 0.53 1 d P B 1
H400 H -0.0051 0.6841 0.8825 0.043 Uiso 0.53 1 calc PR B 1
C401 C 0.01796(19) 0.6676(3) 0.8624(3) 0.039 Uani 0.53 1 d P B 1
H40A H 0.0309 0.6776 0.8648 0.047 Uiso 0.53 1 calc PR B 1
H40B H 0.0197 0.6445 0.8753 0.047 Uiso 0.53 1 calc PR B 1
C402 C 0.0056(3) 0.6629(5) 0.8252(4) 0.084 Uani 0.53 1 d P B 1
H40C H -0.0003 0.6386 0.8215 0.100 Uiso 0.53 1 calc PR B 1
H40D H 0.0136 0.6654 0.8103 0.100 Uiso 0.53 1 calc PR B 1
C403 C -0.01183(15) 0.6943(3) 0.8144(2) 0.081 Uani 0.53 1 d P B 1
H40E H -0.0132 0.7062 0.7920 0.097 Uiso 0.53 1 calc PR B 1
H40F H -0.0245 0.6843 0.8133 0.097 Uiso 0.53 1 calc PR B 1
C404 C -0.0039(2) 0.7180(4) 0.8431(3) 0.046 Uani 0.53 1 d P B 1
H40G H -0.0143 0.7337 0.8454 0.055 Uiso 0.53 1 calc PR B 1
H40H H 0.0060 0.7337 0.8391 0.055 Uiso 0.53 1 calc PR B 1
C105 C -0.03527(13) 0.7134(3) 0.9425(4) 0.128 Uani 1 1 d . . .
C106 C -0.00840(12) 0.6706(2) 1.0242(2) 0.055 Uani 1 1 d . . .
C107 C 0.00854(14) 0.4094(3) 0.8547(3) 0.089 Uani 1 1 d . . .
C108 C 0.17324(10) 0.5919(2) 0.8307(3) 0.060 Uani 1 1 d . . .
C109 C 0.08229(12) 0.8747(3) 0.8334(3) 0.098 Uani 1 1 d . . .
C110 C 0.10015(12) 0.89808(19) 0.9232(2) 0.058 Uani 1 1 d . . .
Ga1B Ga 0.276807(8) 0.366680(17) 1.018199(16) 0.024 Uani 1 1 d . . .
Ga2B Ga 0.311703(8) 0.266785(16) 0.996342(14) 0.018 Uani 1 1 d . . .
Ga3B Ga 0.361129(8) 0.205316(16) 0.968085(17) 0.024 Uani 1 1 d . . .
Ga4B Ga 0.398792(8) 0.287158(17) 0.929120(16) 0.023 Uani 1 1 d . . .
Ga5B Ga 0.425238(8) 0.399490(16) 0.910803(15) 0.020 Uani 1 1 d . . .
Ga6B Ga 0.389963(8) 0.498881(16) 0.933776(14) 0.018 Uani 1 1 d . . .
Ga7B Ga 0.344617(9) 0.562197(17) 0.972876(16) 0.025 Uani 1 1 d . . .
Ga8B Ga 0.302811(8) 0.480364(16) 1.001580(14) 0.019 Uani 1 1 d . . .
O1B O 0.29269(5) 0.33835(10) 1.05763(9) 0.023 Uani 1 1 d . . .
O2B O 0.30084(5) 0.30015(10) 0.95695(9) 0.023 Uani 1 1 d . . .
O3B O 0.33425(5) 0.19632(11) 0.93907(10) 0.028 Uani 1 1 d . . .
O4B O 0.33829(5) 0.28739(10) 1.01673(9) 0.022 Uani 1 1 d . . .
O5B O 0.38876(5) 0.21034(10) 0.99653(10) 0.028 Uani 1 1 d . . .
O6B O 0.37074(5) 0.29584(10) 0.91091(10) 0.028 Uani 1 1 d . . .
O7B O 0.41293(5) 0.36885(10) 0.87068(9) 0.024 Uani 1 1 d . . .
O8B O 0.40691(5) 0.32023(10) 0.96976(10) 0.026 Uani 1 1 d . . .
O9B O 0.43824(5) 0.42978(10) 0.95087(9) 0.022 Uani 1 1 d . . .
O10B O 0.37396(5) 0.46197(10) 0.90271(10) 0.023 Uani 1 1 d . . .
O11B O 0.34246(6) 0.56843(10) 0.92480(10) 0.026 Uani 1 1 d . . .
O12B O 0.38850(5) 0.48343(10) 0.97907(9) 0.025 Uani 1 1 d . . .
O13B O 0.34630(6) 0.56005(11) 1.02133(10) 0.030 Uani 1 1 d . . .
O14B O 0.30656(5) 0.47092(10) 0.95693(9) 0.024 Uani 1 1 d . . .
O15B O 0.26147(5) 0.39719(10) 0.97909(11) 0.030 Uani 1 1 d . . .
O16B O 0.32177(5) 0.44644(10) 1.03182(9) 0.023 Uani 1 1 d . . .
O17B O 0.26560(6) 0.39069(11) 1.05059(12) 0.035 Uani 1 1 d . . .
O18B O 0.25335(5) 0.33570(11) 1.00634(12) 0.037 Uani 1 1 d . . .
O19B O 0.36030(6) 0.16494(12) 0.99946(12) 0.042 Uani 1 1 d . . .
O20B O 0.36764(6) 0.16843(12) 0.93772(12) 0.041 Uani 1 1 d . . .
O21B O 0.45076(5) 0.37488(12) 0.91767(11) 0.035 Uani 1 1 d . . .
O22B O 0.43202(5) 0.43291(10) 0.87961(9) 0.023 Uani 1 1 d . . .
O23B O 0.36253(6) 0.60429(11) 0.98686(12) 0.038 Uani 1 1 d . . .
O24B O 0.32241(6) 0.59810(11) 0.96302(12) 0.036 Uani 1 1 d . . .
N1B N 0.31548(6) 0.23837(12) 1.04229(11) 0.022 Uani 1 1 d . . .
H1B1 H 0.3035 0.2298 1.0414 0.026 Uiso 1 1 calc R . .
H1B2 H 0.3232 0.2187 1.0430 0.026 Uiso 1 1 calc R . .
N2B N 0.29997(6) 0.30502(12) 1.01768(11) 0.020 Uani 1 1 d . . .
N3B N 0.28879(6) 0.33070(12) 0.99351(11) 0.021 Uani 1 1 d . . .
N4B N 0.28843(6) 0.23119(13) 0.97262(11) 0.025 Uani 1 1 d . . .
H4B1 H 0.2900 0.2116 0.9871 0.030 Uiso 1 1 calc R . .
H4B2 H 0.2772 0.2426 0.9720 0.030 Uiso 1 1 calc R . .
N5B N 0.32678(6) 0.23458(12) 0.97567(11) 0.019 Uani 1 1 d . . .
N6B N 0.34728(6) 0.23940(12) 0.99086(11) 0.020 Uani 1 1 d . . .
N7B N 0.42543(6) 0.26044(14) 0.94983(13) 0.031 Uani 1 1 d . . .
H7B1 H 0.4246 0.2392 0.9377 0.037 Uiso 1 1 calc R . .
H7B2 H 0.4348 0.2745 0.9458 0.037 Uiso 1 1 calc R . .
N8B N 0.38955(6) 0.24878(12) 0.95381(11) 0.022 Uani 1 1 d . . .
N9B N 0.36918(6) 0.24568(12) 0.94152(12) 0.024 Uani 1 1 d . . .
N10B N 0.39619(7) 0.26113(13) 0.88171(12) 0.028 Uani 1 1 d . . .
H10Q H 0.4084 0.2543 0.8828 0.034 Uiso 1 1 calc R . .
H10R H 0.3891 0.2404 0.8802 0.034 Uiso 1 1 calc R . .
N11B N 0.40678(7) 0.33075(12) 0.90918(11) 0.024 Uani 1 1 d . . .
N12B N 0.41665(6) 0.35659(12) 0.93409(11) 0.023 Uani 1 1 d . . .
N13B N 0.41362(6) 0.53084(12) 0.95965(11) 0.022 Uani 1 1 d . . .
H13E H 0.4190 0.5387 0.9437 0.026 Uiso 1 1 calc R . .
H13F H 0.4092 0.5509 0.9678 0.026 Uiso 1 1 calc R . .
N14B N 0.41003(6) 0.46217(12) 0.93374(10) 0.019 Uani 1 1 d . . .
N15B N 0.40272(6) 0.43387(12) 0.90937(11) 0.019 Uani 1 1 d . . .
N16B N 0.38663(6) 0.53041(13) 0.88862(11) 0.025 Uani 1 1 d . . .
H16D H 0.3934 0.5516 0.8959 0.030 Uiso 1 1 calc R . .
H16E H 0.3927 0.5182 0.8757 0.030 Uiso 1 1 calc R . .
N17B N 0.36832(6) 0.53057(12) 0.93788(11) 0.020 Uani 1 1 d . . .
N18B N 0.36701(6) 0.52965(12) 0.97153(11) 0.021 Uani 1 1 d . . .
N19B N 0.30163(6) 0.50515(13) 1.04620(11) 0.024 Uani 1 1 d . . .
H19D H 0.2928 0.5238 1.0391 0.029 Uiso 1 1 calc R . .
H19E H 0.2965 0.4886 1.0574 0.029 Uiso 1 1 calc R . .
N20B N 0.32202(6) 0.51874(12) 1.00183(11) 0.020 Uani 1 1 d . . .
N21B N 0.32516(6) 0.52165(12) 0.96979(11) 0.023 Uani 1 1 d . . .
N22B N 0.27656(6) 0.50613(12) 0.97404(12) 0.023 Uani 1 1 d . . .
H22D H 0.2700 0.5103 0.9892 0.028 Uiso 1 1 calc R . .
H22E H 0.2794 0.5283 0.9668 0.028 Uiso 1 1 calc R . .
N23B N 0.28632(6) 0.43689(12) 0.99884(11) 0.020 Uani 1 1 d . . .
N24B N 0.29543(6) 0.41030(12) 1.02369(11) 0.020 Uani 1 1 d . . .
C1B C 0.32403(7) 0.25847(16) 1.07467(13) 0.023 Uani 1 1 d . . .
C2B C 0.33896(8) 0.24290(17) 1.10181(14) 0.027 Uani 1 1 d . . .
H2B H 0.3439 0.2199 1.0987 0.033 Uiso 1 1 calc R . .
C3B C 0.34669(8) 0.26058(18) 1.13335(15) 0.031 Uani 1 1 d . . .
H3B H 0.3574 0.2504 1.1516 0.038 Uiso 1 1 calc R . .
C4B C 0.33882(8) 0.29316(17) 1.13829(14) 0.030 Uani 1 1 d . . .
H4B H 0.3438 0.3051 1.1602 0.036 Uiso 1 1 calc R . .
C5B C 0.32354(8) 0.30850(16) 1.11103(13) 0.024 Uani 1 1 d . . .
H5B H 0.3181 0.3307 1.1147 0.029 Uiso 1 1 calc R . .
C6B C 0.31617(7) 0.29179(15) 1.07865(14) 0.021 Uani 1 1 d . . .
C7B C 0.30196(7) 0.31162(14) 1.05024(13) 0.019 Uani 1 1 d . . .
C8B C 0.29038(7) 0.32556(15) 0.96247(13) 0.023 Uani 1 1 d . . .
C9B C 0.28000(9) 0.35069(18) 0.93301(15) 0.036 Uani 1 1 d . . .
H9B H 0.2705 0.3656 0.9398 0.043 Uiso 1 1 calc R . .
C10B C 0.29408(11) 0.37616(18) 0.92378(16) 0.044 Uani 1 1 d . . .
H10S H 0.2976 0.3971 0.9399 0.052 Uiso 1 1 calc R . .
H10T H 0.3061 0.3633 0.9251 0.052 Uiso 1 1 calc R . .
C11B C 0.28278(14) 0.3885(2) 0.88629(19) 0.069 Uani 1 1 d . . .
H11C H 0.2767 0.4124 0.8863 0.082 Uiso 1 1 calc R . .
H11D H 0.2916 0.3905 0.8729 0.082 Uiso 1 1 calc R . .
C12B C 0.26776(12) 0.3608(2) 0.87083(18) 0.065 Uani 1 1 d . . .
H12C H 0.2698 0.3496 0.8505 0.078 Uiso 1 1 calc R . .
H12D H 0.2547 0.3720 0.8628 0.078 Uiso 1 1 calc R . .
C13B C 0.26906(11) 0.3316(2) 0.89864(17) 0.052 Uani 1 1 d . . .
H13G H 0.2559 0.3240 0.8976 0.063 Uiso 1 1 calc R . .
H13H H 0.2763 0.3102 0.8955 0.063 Uiso 1 1 calc R . .
C14B C 0.28531(8) 0.21774(15) 0.93835(14) 0.022 Uani 1 1 d . . .
C15B C 0.30080(8) 0.20728(14) 0.92786(14) 0.022 Uani 1 1 d . . .
C16B C 0.29682(9) 0.19094(16) 0.89518(15) 0.030 Uani 1 1 d . . .
H16F H 0.3073 0.1835 0.8882 0.036 Uiso 1 1 calc R . .
C17B C 0.27794(9) 0.18551(17) 0.87317(15) 0.034 Uani 1 1 d . . .
H17B H 0.2754 0.1747 0.8510 0.041 Uiso 1 1 calc R . .
C18B C 0.26259(9) 0.19595(19) 0.88346(15) 0.036 Uani 1 1 d . . .
H18B H 0.2496 0.1918 0.8685 0.044 Uiso 1 1 calc R . .
C19B C 0.26625(8) 0.21250(17) 0.91557(15) 0.031 Uani 1 1 d . . .
H19F H 0.2557 0.2203 0.9221 0.037 Uiso 1 1 calc R . .
C20B C 0.32167(8) 0.21242(14) 0.94923(14) 0.023 Uani 1 1 d . . .
C21B C 0.35146(7) 0.26760(15) 1.01158(13) 0.021 Uani 1 1 d . . .
C22B C 0.37249(8) 0.27696(17) 1.03062(15) 0.030 Uani 1 1 d . . .
H22F H 0.3809 0.2616 1.0215 0.035 Uiso 1 1 calc R . .
C23B C 0.37734(9) 0.31671(19) 1.02782(16) 0.039 Uani 1 1 d . . .
H23N H 0.3669 0.3326 1.0296 0.047 Uiso 1 1 calc R . .
H23C H 0.3793 0.3216 1.0055 0.047 Uiso 1 1 calc R . .
C24B C 0.39624(11) 0.3221(2) 1.05891(18) 0.063 Uani 1 1 d . . .
H24C H 0.4076 0.3187 1.0516 0.076 Uiso 1 1 calc R . .
H24D H 0.3968 0.3468 1.0684 0.076 Uiso 1 1 calc R . .
C25B C 0.39650(10) 0.2949(2) 1.08583(19) 0.049 Uani 1 1 d . . .
H25C H 0.3962 0.3070 1.1071 0.059 Uiso 1 1 calc R . .
H25D H 0.4084 0.2800 1.0920 0.059 Uiso 1 1 calc R . .
C26B C 0.37846(9) 0.2712(2) 1.07011(17) 0.043 Uani 1 1 d . . .
H26N H 0.3679 0.2789 1.0784 0.052 Uiso 1 1 calc R . .
H26C H 0.3815 0.2455 1.0763 0.052 Uiso 1 1 calc R . .
C27B C 0.43209(8) 0.25185(17) 0.98695(16) 0.032 Uani 1 1 d . . .
C28B C 0.41935(8) 0.23504(16) 1.00119(15) 0.027 Uani 1 1 d . . .
C29B C 0.42679(8) 0.22366(17) 1.03607(16) 0.035 Uani 1 1 d . . .
H29B H 0.4186 0.2111 1.0457 0.041 Uiso 1 1 calc R . .
C30B C 0.44582(10) 0.2304(2) 1.05653(19) 0.049 Uani 1 1 d . . .
H30B H 0.4506 0.2231 1.0803 0.059 Uiso 1 1 calc R . .
C31B C 0.45804(9) 0.2477(2) 1.0424(2) 0.053 Uani 1 1 d . . .
H31B H 0.4712 0.2522 1.0565 0.064 Uiso 1 1 calc R . .
C32B C 0.45119(9) 0.2588(2) 1.00747(19) 0.044 Uani 1 1 d . . .
H32B H 0.4596 0.2709 0.9980 0.052 Uiso 1 1 calc R . .
C33B C 0.39819(8) 0.23063(15) 0.98225(15) 0.024 Uani 1 1 d . . .
C34B C 0.36079(8) 0.27166(15) 0.91948(15) 0.027 Uani 1 1 d . . .
C35B C 0.33936(9) 0.27179(19) 0.90182(19) 0.044 Uani 1 1 d . . .
H35B H 0.3336 0.2540 0.9138 0.053 Uiso 1 1 calc R . .
C36B C 0.33324(11) 0.2616(3) 0.8636(2) 0.071 Uani 1 1 d . . .
H36C H 0.3435 0.2688 0.8543 0.085 Uiso 1 1 calc R . .
H36D H 0.3314 0.2352 0.8608 0.085 Uiso 1 1 calc R . .
C37B C 0.31453(12) 0.2808(3) 0.8440(3) 0.079 Uani 1 1 d . . .
H37C H 0.3159 0.2954 0.8248 0.095 Uiso 1 1 calc R . .
H37D H 0.3039 0.2632 0.8340 0.095 Uiso 1 1 calc R . .
C38B C 0.31044(12) 0.3040(3) 0.8695(2) 0.078 Uani 1 1 d . . .
H38C H 0.3003 0.2928 0.8771 0.093 Uiso 1 1 calc R . .
H38D H 0.3057 0.3278 0.8591 0.093 Uiso 1 1 calc R . .
C39B C 0.32927(10) 0.3083(2) 0.9003(2) 0.054 Uani 1 1 d . . .
H39C H 0.3267 0.3130 0.9220 0.065 Uiso 1 1 calc R . .
H39D H 0.3372 0.3282 0.8963 0.065 Uiso 1 1 calc R . .
C40B C 0.38732(8) 0.28156(16) 0.84995(15) 0.028 Uani 1 1 d . . .
C41B C 0.39270(8) 0.31739(15) 0.84741(14) 0.025 Uani 1 1 d . . .
C42B C 0.38473(9) 0.33494(17) 0.81517(14) 0.031 Uani 1 1 d . . .
H42P H 0.3885 0.3591 0.8128 0.037 Uiso 1 1 calc R . .
C43B C 0.37153(10) 0.3177(2) 0.78689(16) 0.040 Uani 1 1 d . . .
H43B H 0.3664 0.3298 0.7651 0.048 Uiso 1 1 calc R . .
C44B C 0.36577(10) 0.28307(19) 0.79012(16) 0.041 Uani 1 1 d . . .
H44B H 0.3562 0.2717 0.7709 0.049 Uiso 1 1 calc R . .
C45B C 0.37382(9) 0.26446(18) 0.82145(16) 0.036 Uani 1 1 d . . .
H45B H 0.3701 0.2402 0.8233 0.043 Uiso 1 1 calc R . .
C46B C 0.40511(8) 0.33947(16) 0.87678(14) 0.025 Uani 1 1 d . . .
C47B C 0.41577(7) 0.34840(15) 0.96540(14) 0.022 Uani 1 1 d . . .
C48B C 0.42550(8) 0.37228(16) 0.99580(14) 0.025 Uani 1 1 d . . .
H48B H 0.4340 0.3898 0.9894 0.030 Uiso 1 1 calc R . .
C49B C 0.43742(9) 0.35259(18) 1.02861(15) 0.034 Uani 1 1 d . . .
H49C H 0.4504 0.3464 1.0280 0.041 Uiso 1 1 calc R . .
H49D H 0.4308 0.3301 1.0312 0.041 Uiso 1 1 calc R . .
C50B C 0.43936(9) 0.37842(19) 1.05866(16) 0.040 Uani 1 1 d . . .
H50C H 0.4521 0.3910 1.0659 0.048 Uiso 1 1 calc R . .
H50D H 0.4384 0.3651 1.0789 0.048 Uiso 1 1 calc R . .
C51B C 0.42265(9) 0.40539(17) 1.04489(14) 0.033 Uani 1 1 d . . .
H51C H 0.4277 0.4301 1.0448 0.039 Uiso 1 1 calc R . .
H51D H 0.4144 0.4052 1.0596 0.039 Uiso 1 1 calc R . .
C52B C 0.41086(8) 0.39319(16) 1.00760(14) 0.028 Uani 1 1 d . . .
H52C H 0.3999 0.3775 1.0073 0.033 Uiso 1 1 calc R . .
H52D H 0.4056 0.4143 0.9923 0.033 Uiso 1 1 calc R . .
C53B C 0.42880(7) 0.51499(16) 0.98819(14) 0.024 Uani 1 1 d . . .
C54B C 0.43683(7) 0.48124(15) 0.98461(13) 0.023 Uani 1 1 d . . .
C55B C 0.45297(8) 0.46784(18) 1.01204(15) 0.032 Uani 1 1 d . . .
H55B H 0.4588 0.4457 1.0095 0.039 Uiso 1 1 calc R . .
C56B C 0.46037(9) 0.4877(2) 1.04333(16) 0.041 Uani 1 1 d . . .
H56B H 0.4713 0.4789 1.0621 0.049 Uiso 1 1 calc R . .
C57B C 0.45172(9) 0.51980(18) 1.04661(15) 0.037 Uani 1 1 d . . .
H57B H 0.4565 0.5327 1.0680 0.044 Uiso 1 1 calc R . .
C58B C 0.43628(9) 0.53346(17) 1.01945(14) 0.030 Uani 1 1 d . . .
H58B H 0.4307 0.5559 1.0222 0.036 Uiso 1 1 calc R . .
C59B C 0.42830(7) 0.45689(14) 0.95457(13) 0.020 Uani 1 1 d . . .
C60B C 0.38380(7) 0.43703(15) 0.89466(13) 0.021 Uani 1 1 d . . .
C61B C 0.37310(8) 0.41124(16) 0.86604(14) 0.027 Uani 1 1 d . . .
H61B H 0.3827 0.3946 0.8617 0.032 Uiso 1 1 calc R . .
C62B C 0.35781(8) 0.38868(17) 0.87487(17) 0.035 Uani 1 1 d . . .
H62C H 0.3502 0.4039 0.8854 0.042 Uiso 1 1 calc R . .
H62D H 0.3640 0.3688 0.8912 0.042 Uiso 1 1 calc R . .
C63B C 0.34476(9) 0.37377(19) 0.83920(18) 0.043 Uani 1 1 d . . .
H63C H 0.3497 0.3503 0.8344 0.051 Uiso 1 1 calc R . .
H63D H 0.3312 0.3705 0.8385 0.051 Uiso 1 1 calc R . .
C64B C 0.34561(9) 0.40200(19) 0.81285(18) 0.045 Uani 1 1 d . . .
H64C H 0.3490 0.3904 0.7939 0.054 Uiso 1 1 calc R . .
H64D H 0.3328 0.4139 0.8024 0.054 Uiso 1 1 calc R . .
C65B C 0.36095(9) 0.42971(19) 0.83142(15) 0.038 Uani 1 1 d . . .
H65C H 0.3549 0.4522 0.8358 0.046 Uiso 1 1 calc R . .
H65D H 0.3692 0.4357 0.8175 0.046 Uiso 1 1 calc R . .
C66B C 0.36732(8) 0.53968(14) 0.86566(14) 0.022 Uani 1 1 d . . .
C67B C 0.36324(8) 0.53891(16) 0.83002(14) 0.027 Uani 1 1 d . . .
H67B H 0.3729 0.5308 0.8212 0.033 Uiso 1 1 calc R . .
C68B C 0.34504(9) 0.54990(17) 0.80679(15) 0.032 Uani 1 1 d . . .
H68B H 0.3423 0.5491 0.7824 0.038 Uiso 1 1 calc R . .
C69B C 0.33118(8) 0.56183(17) 0.81950(15) 0.032 Uani 1 1 d . . .
H69B H 0.3188 0.5691 0.8038 0.038 Uiso 1 1 calc R . .
C70B C 0.33507(8) 0.56328(16) 0.85468(15) 0.028 Uani 1 1 d . . .
H70B H 0.3255 0.5725 0.8631 0.034 Uiso 1 1 calc R . .
C71B C 0.35313(8) 0.55128(14) 0.87880(14) 0.022 Uani 1 1 d . . .
C72B C 0.35521(8) 0.55081(14) 0.91565(14) 0.022 Uani 1 1 d . . .
C73B C 0.37806(8) 0.50389(15) 0.99066(14) 0.023 Uani 1 1 d . . .
C74B C 0.37901(8) 0.49865(17) 1.02762(14) 0.029 Uani 1 1 d . . .
H74B H 0.3715 0.5183 1.0338 0.035 Uiso 1 1 calc R . .
C75B C 0.39984(9) 0.49837(19) 1.05410(15) 0.037 Uani 1 1 d . . .
H75C H 0.4087 0.4849 1.0451 0.044 Uiso 1 1 calc R . .
H75D H 0.4048 0.5232 1.0601 0.044 Uiso 1 1 calc R . .
C76B C 0.39759(11) 0.4792(3) 1.08551(17) 0.058 Uani 1 1 d . . .
H76C H 0.4087 0.4627 1.0962 0.070 Uiso 1 1 calc R . .
H76D H 0.3973 0.4972 1.1032 0.070 Uiso 1 1 calc R . .
C77B C 0.37930(11) 0.4587(3) 1.07329(19) 0.068 Uani 1 1 d . . .
H77C H 0.3700 0.4685 1.0836 0.082 Uiso 1 1 calc R . .
H77D H 0.3818 0.4330 1.0801 0.082 Uiso 1 1 calc R . .
C78B C 0.37115(9) 0.46230(19) 1.03384(16) 0.038 Uani 1 1 d . . .
H78C H 0.3567 0.4622 1.0250 0.046 Uiso 1 1 calc R . .
H78D H 0.3758 0.4425 1.0225 0.046 Uiso 1 1 calc R . .
C79B C 0.31909(7) 0.51959(15) 1.07186(14) 0.023 Uani 1 1 d . . .
C80B C 0.33313(8) 0.53748(15) 1.06254(14) 0.025 Uani 1 1 d . . .
C81B C 0.34831(8) 0.55446(19) 1.08886(16) 0.036 Uani 1 1 d . . .
H81B H 0.3579 0.5672 1.0829 0.044 Uiso 1 1 calc R . .
C82B C 0.34965(9) 0.55328(19) 1.12290(16) 0.040 Uani 1 1 d . . .
H82B H 0.3600 0.5655 1.1402 0.048 Uiso 1 1 calc R . .
C83B C 0.33613(9) 0.53453(19) 1.13219(16) 0.039 Uani 1 1 d . . .
H83B H 0.3373 0.5331 1.1560 0.047 Uiso 1 1 calc R . .
C84B C 0.32091(9) 0.51778(17) 1.10692(15) 0.032 Uani 1 1 d . . .
H84B H 0.3115 0.5048 1.1134 0.039 Uiso 1 1 calc R . .
C85B C 0.33355(7) 0.53929(15) 1.02662(14) 0.023 Uani 1 1 d . . .
C86B C 0.31628(8) 0.49535(15) 0.94825(14) 0.023 Uani 1 1 d . . .
C87B C 0.31683(8) 0.49459(16) 0.91220(14) 0.028 Uani 1 1 d . . .
H87B H 0.3248 0.5154 0.9094 0.034 Uiso 1 1 calc R . .
C88B C 0.32538(10) 0.4598(2) 0.90375(18) 0.050 Uani 1 1 d . . .
H88C H 0.3199 0.4382 0.9112 0.059 Uiso 1 1 calc R . .
H88D H 0.3397 0.4594 0.9148 0.059 Uiso 1 1 calc R . .
C89B C 0.31894(12) 0.4618(2) 0.86318(18) 0.057 Uani 1 1 d . . .
H89C H 0.3287 0.4750 0.8562 0.069 Uiso 1 1 calc R . .
H89D H 0.3173 0.4373 0.8530 0.069 Uiso 1 1 calc R . .
C90B C 0.30005(11) 0.4814(3) 0.85148(19) 0.067 Uani 1 1 d . . .
H90C H 0.2893 0.4647 0.8390 0.080 Uiso 1 1 calc R . .
H90D H 0.3003 0.5012 0.8354 0.080 Uiso 1 1 calc R . .
C91B C 0.29684(11) 0.4967(2) 0.88376(17) 0.056 Uani 1 1 d . . .
H91C H 0.2922 0.5220 0.8798 0.067 Uiso 1 1 calc R . .
H91D H 0.2872 0.4821 0.8899 0.067 Uiso 1 1 calc R . .
C92B C 0.26367(7) 0.48736(16) 0.94415(14) 0.027 Uani 1 1 d . . .
C93B C 0.25925(8) 0.45079(17) 0.94667(15) 0.029 Uani 1 1 d . . .
C94B C 0.24529(9) 0.43504(19) 0.91723(18) 0.048 Uani 1 1 d . . .
H94B H 0.2413 0.4108 0.9186 0.058 Uiso 1 1 calc R . .
C95B C 0.23725(10) 0.4538(2) 0.88650(19) 0.057 Uani 1 1 d . . .
H95B H 0.2282 0.4421 0.8668 0.069 Uiso 1 1 calc R . .
C96B C 0.24214(10) 0.4894(2) 0.88388(18) 0.052 Uani 1 1 d . . .
H96B H 0.2366 0.5020 0.8625 0.063 Uiso 1 1 calc R . .
C97B C 0.25513(9) 0.50645(19) 0.91259(15) 0.038 Uani 1 1 d . . .
H97B H 0.2583 0.5311 0.9111 0.046 Uiso 1 1 calc R . .
C98B C 0.26918(7) 0.42733(16) 0.97706(15) 0.025 Uani 1 1 d . . .
C99B C 0.31403(7) 0.41829(15) 1.04003(14) 0.022 Uani 1 1 d . . .
C200 C 0.32661(7) 0.39568(15) 1.06967(15) 0.026 Uani 1 1 d . . .
H200 H 0.3184 0.3774 1.0760 0.031 Uiso 1 1 calc R . .
C201 C 0.33786(9) 0.41768(17) 1.10178(16) 0.036 Uani 1 1 d . . .
H20A H 0.3295 0.4241 1.1153 0.043 Uiso 1 1 calc R . .
H20B H 0.3432 0.4400 1.0953 0.043 Uiso 1 1 calc R . .
C202 C 0.35447(9) 0.39172(18) 1.12271(18) 0.047 Uani 1 1 d . . .
H20C H 0.3663 0.4056 1.1361 0.057 Uiso 1 1 calc R . .
H20D H 0.3504 0.3771 1.1392 0.057 Uiso 1 1 calc R . .
C203 C 0.35861(9) 0.36734(19) 1.09587(19) 0.046 Uani 1 1 d . . .
H20E H 0.3717 0.3723 1.0952 0.055 Uiso 1 1 calc R . .
H20F H 0.3579 0.3416 1.1018 0.055 Uiso 1 1 calc R . .
C204 C 0.34298(8) 0.37616(18) 1.06080(18) 0.038 Uani 1 1 d . . .
H20G H 0.3380 0.3538 1.0474 0.046 Uiso 1 1 calc R . .
H20H H 0.3483 0.3920 1.0469 0.046 Uiso 1 1 calc R . .
C205 C 0.25880(13) 0.3715(2) 1.0749(2) 0.062 Uani 1 1 d . . .
C206 C 0.46927(13) 0.3835(3) 0.9433(3) 0.093 Uani 1 1 d . . .
C207 C 0.36050(12) 0.6361(2) 1.0056(2) 0.060 Uani 1 1 d . . .
C208 C 0.31859(14) 0.6271(2) 0.9394(2) 0.068 Uani 1 1 d . . .
Ga1C Ga 0.136681(8) 0.674039(16) 0.248911(15) 0.021 Uani 1 1 d . . .
Ga2C Ga 0.152178(8) 0.562896(17) 0.206223(16) 0.024 Uani 1 1 d . . .
Ga3C Ga 0.187187(11) 0.482926(19) 0.15853(2) 0.041 Uani 1 1 d . . .
Ga4C Ga 0.236801(9) 0.547658(19) 0.133832(18) 0.030 Uani 1 1 d . . .
Ga5C Ga 0.278729(9) 0.64278(2) 0.125589(19) 0.035 Uani 1 1 d . . .
Ga6C Ga 0.262994(8) 0.755246(17) 0.165725(15) 0.020 Uani 1 1 d . . .
Ga7C Ga 0.224597(8) 0.835649(15) 0.205294(15) 0.018 Uani 1 1 d . . .
Ga8C Ga 0.173724(7) 0.772075(15) 0.228767(14) 0.014 Uani 1 1 d . . .
O1C O 0.11706(5) 0.65169(10) 0.20931(10) 0.026 Uani 1 1 d . . .
O2C O 0.17449(5) 0.58952(11) 0.23925(11) 0.031 Uani 1 1 d . . .
O3C O 0.18938(7) 0.47617(12) 0.20684(13) 0.047 Uani 1 1 d . . .
O4C O 0.15472(6) 0.57863(11) 0.16222(11) 0.030 Uani 1 1 d . . .
O5C O 0.18495(6) 0.48802(12) 0.11024(12) 0.042 Uani 1 1 d . . .
O6C O 0.23691(6) 0.55336(11) 0.18173(11) 0.033 Uani 1 1 d . E .
O7C O 0.28981(6) 0.60457(12) 0.15916(13) 0.045 Uani 1 1 d . . .
O8C O 0.22351(5) 0.59225(11) 0.11174(11) 0.031 Uani 1 1 d . . .
O9C O 0.26858(6) 0.68113(12) 0.09197(11) 0.036 Uani 1 1 d . . .
O10C O 0.26743(5) 0.71454(10) 0.19874(9) 0.025 Uani 1 1 d . . .
O11C O 0.25173(5) 0.82868(10) 0.23460(9) 0.023 Uani 1 1 d . . .
O12C O 0.23451(5) 0.75081(10) 0.14268(9) 0.023 Uani 1 1 d . . .
O13C O 0.19781(5) 0.84693(9) 0.17696(9) 0.021 Uani 1 1 d . . .
O14C O 0.19991(5) 0.75011(9) 0.24764(9) 0.018 Uani 1 1 d . . .
O15C O 0.15577(5) 0.69711(10) 0.28884(9) 0.024 Uani 1 1 d . . .
O16C O 0.16075(5) 0.74201(9) 0.18796(8) 0.017 Uani 1 1 d . . .
O17C O 0.11604(5) 0.70929(11) 0.24834(11) 0.030 Uani 1 1 d . . .
O18C O 0.12830(6) 0.64659(11) 0.28340(11) 0.033 Uani 1 1 d . . .
O19C O 0.16348(8) 0.45158(13) 0.14147(16) 0.059 Uani 1 1 d . . .
O20C O 0.20282(8) 0.43742(12) 0.16259(15) 0.057 Uani 1 1 d . . .
O21C O 0.28293(6) 0.61536(14) 0.08730(15) 0.060 Uani 1 1 d . . .
O22C O 0.30639(6) 0.65938(13) 0.13711(13) 0.045 Uani 1 1 d . . .
O23C O 0.23217(5) 0.87519(10) 0.17935(11) 0.029 Uani 1 1 d . . .
O24C O 0.22378(6) 0.87310(11) 0.23959(11) 0.034 Uani 1 1 d . . .
N1C N 0.12420(7) 0.54514(13) 0.17779(12) 0.029 Uani 1 1 d . . .
H1C1 H 0.1252 0.5256 0.1646 0.035 Uiso 1 1 calc R . .
H1C2 H 0.1186 0.5371 0.1933 0.035 Uiso 1 1 calc R . .
N2C N 0.13949(6) 0.60760(13) 0.21494(11) 0.023 Uani 1 1 d . . .
N3C N 0.15141(6) 0.62922(12) 0.24247(11) 0.020 Uani 1 1 d . . .
N4C N 0.15119(7) 0.53116(14) 0.24701(12) 0.030 Uani 1 1 d . . .
H4C1 H 0.1469 0.5454 0.2612 0.036 Uiso 1 1 calc R . .
H4C2 H 0.1419 0.5136 0.2378 0.036 Uiso 1 1 calc R . .
N5C N 0.16856(7) 0.52318(13) 0.19761(13) 0.029 Uani 1 1 d . . .
N6C N 0.17022(7) 0.52500(13) 0.16422(14) 0.032 Uani 1 1 d . . .
N7C N 0.23157(7) 0.52772(15) 0.08356(14) 0.038 Uani 1 1 d . . .
H7C1 H 0.2389 0.5412 0.0738 0.046 Uiso 1 1 calc R . .
H7C2 H 0.2362 0.5044 0.0857 0.046 Uiso 1 1 calc R . .
N8C N 0.21323(7) 0.51970(14) 0.13148(13) 0.032 Uani 1 1 d . . .
N9C N 0.21177(7) 0.51279(14) 0.16431(15) 0.036 Uani 1 1 d . E .
N10C N 0.25836(7) 0.50837(14) 0.15243(14) 0.035 Uani 1 1 d . . .
H10U H 0.2527 0.4880 0.1575 0.042 Uiso 1 1 calc R . .
H10V H 0.2627 0.5024 0.1346 0.042 Uiso 1 1 calc R . .
N11C N 0.25931(7) 0.58064(14) 0.13938(13) 0.033 Uani 1 1 d . . .
N12C N 0.25405(7) 0.61275(13) 0.11959(13) 0.030 Uani 1 1 d . . .
N13C N 0.26432(6) 0.78805(14) 0.12537(12) 0.028 Uani 1 1 d . . .
H13I H 0.2598 0.8106 0.1283 0.033 Uiso 1 1 calc R . .
H13J H 0.2772 0.7905 0.1277 0.033 Uiso 1 1 calc R . .
N14C N 0.26865(6) 0.71495(13) 0.13804(12) 0.025 Uani 1 1 d . . .
N15C N 0.27478(6) 0.68265(13) 0.15709(12) 0.026 Uani 1 1 d . . .
N16C N 0.29056(6) 0.77288(13) 0.19450(11) 0.025 Uani 1 1 d . . .
H16G H 0.2991 0.7548 0.1940 0.030 Uiso 1 1 calc R . .
H16H H 0.2932 0.7923 0.1829 0.030 Uiso 1 1 calc R . .
N17C N 0.25322(5) 0.79122(12) 0.19191(10) 0.017 Uani 1 1 d . . .
N18C N 0.23321(5) 0.79808(12) 0.17670(11) 0.018 Uani 1 1 d . . .
N19C N 0.15176(6) 0.81104(12) 0.20750(11) 0.018 Uani 1 1 d . . .
H19G H 0.1403 0.8018 0.2082 0.021 Uiso 1 1 calc R . .
H19H H 0.1548 0.8310 0.2218 0.021 Uiso 1 1 calc R . .
N20C N 0.18952(5) 0.80428(11) 0.20907(10) 0.015 Uani 1 1 d . . .
N21C N 0.20973(5) 0.79930(11) 0.22466(10) 0.016 Uani 1 1 d . . .
N22C N 0.17787(6) 0.79814(12) 0.27596(10) 0.018 Uani 1 1 d . . .
H22G H 0.1854 0.8183 0.2772 0.022 Uiso 1 1 calc R . .
H22H H 0.1660 0.8059 0.2759 0.022 Uiso 1 1 calc R . .
N23C N 0.16165(5) 0.73355(11) 0.24894(10) 0.016 Uani 1 1 d . . .
N24C N 0.14892(6) 0.71040(11) 0.22382(11) 0.018 Uani 1 1 d . . .
C1C C 0.11101(8) 0.57125(17) 0.15453(16) 0.034 Uani 1 1 d . . .
C2C C 0.10906(8) 0.60590(16) 0.16598(15) 0.029 Uani 1 1 d . . .
C3C C 0.09497(8) 0.62919(19) 0.14369(17) 0.038 Uani 1 1 d . . .
H3C H 0.0931 0.6525 0.1517 0.046 Uiso 1 1 calc R . .
C4C C 0.08396(9) 0.6187(2) 0.11066(18) 0.048 Uani 1 1 d . . .
H4C H 0.0745 0.6345 0.0959 0.057 Uiso 1 1 calc R . .
C5C C 0.08679(10) 0.5841(2) 0.09862(18) 0.052 Uani 1 1 d . . .
H5C H 0.0795 0.5770 0.0754 0.062 Uiso 1 1 calc R . .
C6C C 0.10014(10) 0.5608(2) 0.12068(17) 0.044 Uani 1 1 d . . .
H6C H 0.1019 0.5374 0.1127 0.052 Uiso 1 1 calc R . .
C7C C 0.12221(7) 0.62228(15) 0.19919(14) 0.023 Uani 1 1 d . . .
C8C C 0.16964(7) 0.61708(15) 0.25331(15) 0.024 Uani 1 1 d . D .
C9C C 0.18479(8) 0.63519(16) 0.28313(16) 0.033 Uani 1 1 d . . .
H9C H 0.1782 0.6528 0.2939 0.040 Uiso 1 1 calc R C 1
C10C C 0.19975(9) 0.65548(19) 0.27207(18) 0.042 Uani 0.68 1 d P D 1
H10M H 0.1950 0.6799 0.2631 0.051 Uiso 0.68 1 calc PR D 1
H10N H 0.2030 0.6420 0.2540 0.051 Uiso 0.68 1 calc PR D 1
C11C C 0.21790(15) 0.6577(3) 0.3076(3) 0.057 Uani 0.68 1 d P D 1
H11E H 0.2300 0.6506 0.3037 0.068 Uiso 0.68 1 calc PR D 1
H11F H 0.2195 0.6826 0.3168 0.068 Uiso 0.68 1 calc PR D 1
C12C C 0.21404(16) 0.6317(3) 0.3339(3) 0.067 Uani 0.68 1 d P D 1
H12E H 0.2255 0.6163 0.3455 0.080 Uiso 0.68 1 calc PR D 1
H12F H 0.2107 0.6451 0.3518 0.080 Uiso 0.68 1 calc PR D 1
C13C C 0.19690(10) 0.6090(2) 0.31129(19) 0.054 Uani 0.68 1 d P D 1
H13K H 0.1892 0.5997 0.3251 0.064 Uiso 0.68 1 calc PR D 1
H13L H 0.2014 0.5884 0.3008 0.064 Uiso 0.68 1 calc PR D 1
C610 C 0.19975(9) 0.65548(19) 0.27207(18) 0.042 Uani 0.32 1 d P D 2
H61C H 0.1968 0.6509 0.2469 0.051 Uiso 0.32 1 calc PR D 2
H61D H 0.1979 0.6817 0.2748 0.051 Uiso 0.32 1 calc PR D 2
C611 C 0.2208(3) 0.6466(6) 0.2911(6) 0.042 Uani 0.32 1 d P D 2
H61E H 0.2266 0.6612 0.3125 0.051 Uiso 0.32 1 calc PR D 2
H61F H 0.2288 0.6487 0.2760 0.051 Uiso 0.32 1 calc PR D 2
C612 C 0.2172(3) 0.6070(6) 0.2989(6) 0.049 Uani 0.32 1 d P D 2
H61G H 0.2286 0.5971 0.3179 0.059 Uiso 0.32 1 calc PR D 2
H61H H 0.2146 0.5917 0.2779 0.059 Uiso 0.32 1 calc PR D 2
C613 C 0.19690(10) 0.6090(2) 0.31129(19) 0.054 Uani 0.32 1 d P D 2
H61I H 0.1905 0.5852 0.3097 0.064 Uiso 0.32 1 calc PR D 2
H61J H 0.2000 0.6190 0.3350 0.064 Uiso 0.32 1 calc PR D 2
C14C C 0.16890(9) 0.51316(16) 0.26899(16) 0.035 Uani 1 1 d . . .
C15C C 0.18091(8) 0.49602(16) 0.25443(18) 0.036 Uani 1 1 d . . .
C16C C 0.19684(10) 0.47642(19) 0.2771(2) 0.048 Uani 1 1 d . . .
H16I H 0.2050 0.4635 0.2676 0.058 Uiso 1 1 calc R . .
C17C C 0.20081(10) 0.47561(19) 0.3119(2) 0.049 Uani 1 1 d . . .
H17C H 0.2116 0.4622 0.3265 0.059 Uiso 1 1 calc R . .
C18C C 0.18918(11) 0.49418(19) 0.32604(19) 0.054 Uani 1 1 d . . .
H18C H 0.1923 0.4942 0.3506 0.064 Uiso 1 1 calc R . .
C19C C 0.17299(10) 0.51277(17) 0.30493(17) 0.041 Uani 1 1 d . . .
H19I H 0.1648 0.5251 0.3147 0.049 Uiso 1 1 calc R . .
C20C C 0.17906(8) 0.49767(17) 0.21704(17) 0.036 Uani 1 1 d . . .
C21C C 0.16235(8) 0.55544(15) 0.14802(15) 0.027 Uani 1 1 d . . .
C22C C 0.16195(9) 0.56270(17) 0.11203(17) 0.037 Uani 1 1 d . . .
H22I H 0.1676 0.5416 0.1037 0.044 Uiso 1 1 calc R . .
C23C C 0.14171(10) 0.5702(2) 0.08653(17) 0.042 Uani 1 1 d . . .
H23D H 0.1344 0.5858 0.0972 0.051 Uiso 1 1 calc R . .
H23E H 0.1344 0.5475 0.0788 0.051 Uiso 1 1 calc R . .
C24C C 0.14495(10) 0.58952(19) 0.05587(18) 0.043 Uani 1 1 d . . .
H24E H 0.1350 0.6084 0.0462 0.051 Uiso 1 1 calc R . .
H24F H 0.1443 0.5721 0.0372 0.051 Uiso 1 1 calc R . .
C25C C 0.16541(10) 0.6065(2) 0.07092(17) 0.044 Uani 1 1 d . . .
H25E H 0.1740 0.5965 0.0593 0.052 Uiso 1 1 calc R . .
H25F H 0.1647 0.6330 0.0677 0.052 Uiso 1 1 calc R . .
C26C C 0.17300(9) 0.59706(18) 0.10943(17) 0.039 Uani 1 1 d . . .
H26D H 0.1703 0.6168 0.1234 0.046 Uiso 1 1 calc R . .
H26E H 0.1872 0.5926 0.1178 0.046 Uiso 1 1 calc R . .
C27C C 0.21167(8) 0.52721(18) 0.05894(17) 0.037 Uani 1 1 d . . .
C28C C 0.19675(9) 0.51501(17) 0.06943(17) 0.036 Uani 1 1 d . . .
C29C C 0.17796(9) 0.51317(19) 0.04381(19) 0.045 Uani 1 1 d . . .
H29C H 0.1676 0.5033 0.0498 0.054 Uiso 1 1 calc R . .
C30C C 0.17418(10) 0.5254(2) 0.01009(19) 0.048 Uani 1 1 d . . .
H30C H 0.1613 0.5245 -0.0065 0.057 Uiso 1 1 calc R . .
C31C C 0.18901(10) 0.5387(2) 0.00100(19) 0.047 Uani 1 1 d . . .
H31C H 0.1865 0.5475 -0.0219 0.056 Uiso 1 1 calc R . .
C32C C 0.20788(10) 0.53924(19) 0.02519(18) 0.044 Uani 1 1 d . . .
H32C H 0.2182 0.5479 0.0185 0.053 Uiso 1 1 calc R . .
C33C C 0.19864(8) 0.50604(16) 0.10511(18) 0.036 Uani 1 1 d . . .
C34C C 0.22515(9) 0.53223(16) 0.18909(17) 0.033 Uani 1 1 d . . .
C35C C 0.22689(10) 0.52685(19) 0.22630(19) 0.044 Uani 0.43 1 d P E 1
H35C H 0.2138 0.5271 0.2286 0.052 Uiso 0.43 1 calc PR E 1
C36C C 0.2376(2) 0.4893(5) 0.2394(4) 0.042 Uani 0.43 1 d P E 1
H36E H 0.2281 0.4692 0.2351 0.050 Uiso 0.43 1 calc PR E 1
H36F H 0.2470 0.4838 0.2278 0.050 Uiso 0.43 1 calc PR E 1
C37C C 0.2483(2) 0.4960(5) 0.2798(4) 0.052 Uani 0.43 1 d P E 1
H37E H 0.2425 0.4804 0.2933 0.063 Uiso 0.43 1 calc PR E 1
H37F H 0.2623 0.4899 0.2866 0.063 Uiso 0.43 1 calc PR E 1
C38C C 0.24624(16) 0.5319(4) 0.2871(3) 0.103 Uani 0.43 1 d P E 1
H38E H 0.2586 0.5414 0.3037 0.123 Uiso 0.43 1 calc PR E 1
H38F H 0.2361 0.5346 0.2976 0.123 Uiso 0.43 1 calc PR E 1
C39C C 0.2402(3) 0.5536(5) 0.2509(4) 0.053 Uani 0.43 1 d P E 1
H39E H 0.2334 0.5763 0.2519 0.064 Uiso 0.43 1 calc PR E 1
H39F H 0.2517 0.5590 0.2443 0.064 Uiso 0.43 1 calc PR E 1
C635 C 0.22689(10) 0.52685(19) 0.22630(19) 0.044 Uani 0.57 1 d P E 2
H635 H 0.2170 0.5087 0.2273 0.052 Uiso 0.57 1 calc PR E 2
C636 C 0.22406(19) 0.5639(4) 0.2455(3) 0.056 Uani 0.57 1 d P E 2
H63E H 0.2315 0.5840 0.2404 0.067 Uiso 0.57 1 calc PR E 2
H63F H 0.2102 0.5708 0.2380 0.067 Uiso 0.57 1 calc PR E 2
C637 C 0.2318(3) 0.5543(7) 0.2831(4) 0.117 Uani 0.57 1 d P E 2
H63G H 0.2365 0.5761 0.2975 0.140 Uiso 0.57 1 calc PR E 2
H63H H 0.2216 0.5427 0.2901 0.140 Uiso 0.57 1 calc PR E 2
C638 C 0.24624(16) 0.5319(4) 0.2871(3) 0.103 Uani 0.57 1 d P E 2
H63I H 0.2450 0.5118 0.3020 0.123 Uiso 0.57 1 calc PR E 2
H63J H 0.2585 0.5447 0.2999 0.123 Uiso 0.57 1 calc PR E 2
C639 C 0.2481(3) 0.5160(6) 0.2550(5) 0.097 Uani 0.57 1 d P E 2
H63K H 0.2500 0.4895 0.2570 0.116 Uiso 0.57 1 calc PR E 2
H63L H 0.2590 0.5272 0.2494 0.116 Uiso 0.57 1 calc PR E 2
C40C C 0.27523(9) 0.51698(19) 0.18282(18) 0.041 Uani 1 1 d . . .
C41C C 0.28480(9) 0.54996(18) 0.18447(19) 0.043 Uani 1 1 d . . .
C42C C 0.30194(11) 0.5554(2) 0.2141(2) 0.066 Uani 1 1 d . . .
H42Q H 0.3091 0.5770 0.2156 0.079 Uiso 1 1 calc R . .
C43C C 0.30845(12) 0.5312(2) 0.2402(2) 0.072 Uani 1 1 d . . .
H43C H 0.3199 0.5361 0.2597 0.087 Uiso 1 1 calc R . .
C44C C 0.29840(12) 0.4994(2) 0.2383(2) 0.064 Uani 1 1 d . . .
H44C H 0.3027 0.4825 0.2569 0.077 Uiso 1 1 calc R . .
C45C C 0.28220(10) 0.4919(2) 0.20944(19) 0.048 Uani 1 1 d . . .
H45C H 0.2758 0.4694 0.2078 0.058 Uiso 1 1 calc R . .
C46C C 0.27783(9) 0.57906(18) 0.15947(17) 0.039 Uani 1 1 d . . .
C47C C 0.23489(8) 0.61547(17) 0.10554(16) 0.032 Uani 1 1 d . . .
C48C C 0.22611(8) 0.64631(18) 0.08067(17) 0.037 Uani 1 1 d . . .
H48C H 0.2366 0.6625 0.0789 0.044 Uiso 1 1 calc R . .
C49C C 0.21385(12) 0.6320(2) 0.04436(19) 0.059 Uani 1 1 d . . .
H49E H 0.2223 0.6249 0.0312 0.070 Uiso 1 1 calc R . .
H49F H 0.2060 0.6109 0.0462 0.070 Uiso 1 1 calc R . .
C50C C 0.20123(11) 0.6622(2) 0.0273(2) 0.064 Uani 1 1 d . . .
H50E H 0.1884 0.6533 0.0119 0.077 Uiso 1 1 calc R . .
H50F H 0.2072 0.6764 0.0131 0.077 Uiso 1 1 calc R . .
C51C C 0.19916(11) 0.6849(2) 0.0561(2) 0.057 Uani 1 1 d . . .
H51E H 0.1853 0.6859 0.0542 0.068 Uiso 1 1 calc R . .
H51F H 0.2037 0.7098 0.0545 0.068 Uiso 1 1 calc R . .
C52C C 0.21122(10) 0.66830(18) 0.09039(19) 0.044 Uani 1 1 d . . .
H52E H 0.2032 0.6526 0.0996 0.053 Uiso 1 1 calc R . .
H52F H 0.2176 0.6871 0.1079 0.053 Uiso 1 1 calc R . .
C53C C 0.25364(7) 0.77626(17) 0.09013(14) 0.027 Uani 1 1 d . . .
C54C C 0.25529(7) 0.74049(18) 0.08019(14) 0.030 Uani 1 1 d . . .
C55C C 0.24584(8) 0.7308(2) 0.04514(16) 0.037 Uani 1 1 d . . .
H55C H 0.2473 0.7070 0.0377 0.044 Uiso 1 1 calc R . .
C56C C 0.23446(8) 0.7554(2) 0.02145(17) 0.045 Uani 1 1 d . . .
H56C H 0.2281 0.7484 -0.0021 0.054 Uiso 1 1 calc R . .
C57C C 0.23221(9) 0.7899(2) 0.03171(16) 0.041 Uani 1 1 d . . .
H57C H 0.2241 0.8067 0.0154 0.050 Uiso 1 1 calc R . .
C58C C 0.24187(8) 0.8003(2) 0.06619(16) 0.039 Uani 1 1 d . . .
H58C H 0.2403 0.8242 0.0733 0.046 Uiso 1 1 calc R . .
C59C C 0.26510(8) 0.71122(18) 0.10464(15) 0.031 Uani 1 1 d . . .
C60C C 0.27371(7) 0.68563(16) 0.18891(15) 0.027 Uani 1 1 d . . .
C61C C 0.28000(9) 0.65548(17) 0.21396(16) 0.035 Uani 1 1 d . . .
H61O H 0.2859 0.6362 0.2037 0.042 Uiso 1 1 calc R . .
C62C C 0.26321(9) 0.63891(17) 0.22378(16) 0.035 Uani 1 1 d . . .
H62E H 0.2547 0.6580 0.2275 0.042 Uiso 1 1 calc R . .
H62F H 0.2552 0.6223 0.2053 0.042 Uiso 1 1 calc R . .
C63C C 0.27363(12) 0.61858(19) 0.25732(18) 0.053 Uani 1 1 d . . .
H63Q H 0.2758 0.5931 0.2522 0.063 Uiso 1 1 calc R . .
H63R H 0.2658 0.6190 0.2727 0.063 Uiso 1 1 calc R . .
C64C C 0.29318(11) 0.6378(2) 0.27490(19) 0.059 Uani 1 1 d . . .
H64E H 0.2936 0.6492 0.2970 0.070 Uiso 1 1 calc R . .
H64F H 0.3041 0.6205 0.2800 0.070 Uiso 1 1 calc R . .
C65C C 0.29468(9) 0.6663(2) 0.24953(17) 0.045 Uani 1 1 d . . .
H65E H 0.3080 0.6670 0.2488 0.054 Uiso 1 1 calc R . .
H65F H 0.2915 0.6904 0.2564 0.054 Uiso 1 1 calc R . .
C66C C 0.29547(8) 0.78363(19) 0.23084(14) 0.032 Uani 1 1 d . . .
C67C C 0.28221(7) 0.80087(16) 0.24291(14) 0.025 Uani 1 1 d . . .
C68C C 0.28843(8) 0.8131(2) 0.27760(15) 0.041 Uani 1 1 d . . .
H68C H 0.2796 0.8251 0.2861 0.049 Uiso 1 1 calc R . .
C69C C 0.30755(11) 0.8077(3) 0.29935(18) 0.077 Uani 1 1 d . . .
H69C H 0.3116 0.8154 0.3229 0.092 Uiso 1 1 calc R . .
C70C C 0.32073(11) 0.7914(3) 0.2873(2) 0.091 Uani 1 1 d . . .
H70C H 0.3339 0.7886 0.3021 0.109 Uiso 1 1 calc R . .
C71C C 0.31473(10) 0.7793(3) 0.25389(18) 0.069 Uani 1 1 d . . .
H71C H 0.3239 0.7675 0.2458 0.082 Uiso 1 1 calc R . .
C72C C 0.26147(7) 0.80760(15) 0.22179(13) 0.020 Uani 1 1 d . . .
C73C C 0.22489(7) 0.77517(14) 0.15143(13) 0.019 Uani 1 1 d . . .
C74C C 0.20345(7) 0.77788(16) 0.13169(14) 0.024 Uani 1 1 d . . .
H74C H 0.1983 0.7999 0.1396 0.029 Uiso 1 1 calc R . .
C75C C 0.19829(8) 0.77968(19) 0.09213(15) 0.034 Uani 1 1 d . . .
H75E H 0.2060 0.7620 0.0843 0.041 Uiso 1 1 calc R . .
H75F H 0.2007 0.8042 0.0848 0.041 Uiso 1 1 calc R . .
C76C C 0.17642(8) 0.7703(2) 0.07742(16) 0.040 Uani 1 1 d . . .
H76E H 0.1684 0.7925 0.0728 0.048 Uiso 1 1 calc R . .
H76F H 0.1732 0.7565 0.0554 0.048 Uiso 1 1 calc R . .
C77C C 0.17263(8) 0.7472(2) 0.10563(16) 0.043 Uani 1 1 d . . .
H77E H 0.1626 0.7588 0.1132 0.051 Uiso 1 1 calc R . .
H77F H 0.1680 0.7229 0.0964 0.051 Uiso 1 1 calc R . .
C78C C 0.19203(7) 0.74454(17) 0.13633(15) 0.028 Uani 1 1 d . . .
H78E H 0.1990 0.7219 0.1351 0.033 Uiso 1 1 calc R . .
H78F H 0.1899 0.7454 0.1589 0.033 Uiso 1 1 calc R . .
C79C C 0.14834(7) 0.82308(13) 0.17190(13) 0.017 Uani 1 1 d . . .
C80C C 0.16401(7) 0.83350(13) 0.16242(13) 0.016 Uani 1 1 d . . .
C81C C 0.16022(8) 0.84690(15) 0.12868(14) 0.023 Uani 1 1 d . . .
H81C H 0.1707 0.8550 0.1220 0.028 Uiso 1 1 calc R . .
C82C C 0.14151(8) 0.84840(16) 0.10520(14) 0.028 Uani 1 1 d . . .
H82C H 0.1391 0.8570 0.0822 0.034 Uiso 1 1 calc R . .
C83C C 0.12624(8) 0.83730(16) 0.11520(14) 0.027 Uani 1 1 d . . .
H83C H 0.1133 0.8383 0.0990 0.032 Uiso 1 1 calc R . .
C84C C 0.12976(7) 0.82491(14) 0.14836(14) 0.022 Uani 1 1 d . . .
H84C H 0.1192 0.8175 0.1551 0.026 Uiso 1 1 calc R . .
C85C C 0.18484(7) 0.82868(14) 0.18450(13) 0.016 Uani 1 1 d . . .
C86C C 0.21343(7) 0.76972(14) 0.24439(13) 0.018 Uani 1 1 d . . .
C87C C 0.23429(7) 0.75908(16) 0.26363(14) 0.024 Uani 1 1 d . . .
H87C H 0.2431 0.7773 0.2589 0.029 Uiso 1 1 calc R . .
C88C C 0.23889(9) 0.75654(19) 0.30323(15) 0.038 Uani 1 1 d . . .
H88E H 0.2409 0.7808 0.3140 0.046 Uiso 1 1 calc R . .
H88F H 0.2282 0.7443 0.3084 0.046 Uiso 1 1 calc R . .
C89C C 0.25759(9) 0.73432(19) 0.31658(15) 0.038 Uani 1 1 d . . .
H89E H 0.2573 0.7177 0.3353 0.045 Uiso 1 1 calc R . .
H89F H 0.2691 0.7503 0.3259 0.045 Uiso 1 1 calc R . .
C90C C 0.25849(8) 0.71282(18) 0.28490(15) 0.035 Uani 1 1 d . . .
H90E H 0.2700 0.7202 0.2791 0.042 Uiso 1 1 calc R . .
H90F H 0.2593 0.6866 0.2899 0.042 Uiso 1 1 calc R . .
C91C C 0.23951(8) 0.72181(17) 0.25460(15) 0.034 Uani 1 1 d . . .
H91E H 0.2416 0.7220 0.2321 0.040 Uiso 1 1 calc R . .
H91F H 0.2291 0.7042 0.2533 0.040 Uiso 1 1 calc R . .
C92C C 0.18696(7) 0.77673(15) 0.30714(13) 0.019 Uani 1 1 d . . .
C93C C 0.17999(7) 0.74278(15) 0.31016(13) 0.020 Uani 1 1 d . . .
C94C C 0.18828(8) 0.72332(16) 0.34131(14) 0.026 Uani 1 1 d . . .
H94C H 0.1835 0.7000 0.3437 0.032 Uiso 1 1 calc R . .
C95C C 0.20351(8) 0.73832(17) 0.36858(14) 0.027 Uani 1 1 d . . .
H95C H 0.2091 0.7252 0.3897 0.033 Uiso 1 1 calc R . .
C96C C 0.21057(8) 0.77201(17) 0.36528(14) 0.028 Uani 1 1 d . . .
H96C H 0.2211 0.7819 0.3840 0.034 Uiso 1 1 calc R . .
C97C C 0.20238(7) 0.79151(16) 0.33477(13) 0.022 Uani 1 1 d . . .
H97C H 0.2072 0.8148 0.3326 0.027 Uiso 1 1 calc R . .
C98C C 0.16471(7) 0.72410(14) 0.28154(13) 0.018 Uani 1 1 d . . .
C99C C 0.14941(7) 0.71802(14) 0.19271(13) 0.019 Uani 1 1 d . . .
C300 C 0.13634(8) 0.69799(15) 0.16171(13) 0.022 Uani 1 1 d . . .
H300 H 0.1275 0.6819 0.1691 0.027 Uiso 1 1 calc R . .
C301 C 0.12380(8) 0.72377(17) 0.13222(15) 0.033 Uani 1 1 d . . .
H30D H 0.1124 0.7329 0.1375 0.040 Uiso 1 1 calc R . .
H30E H 0.1316 0.7446 0.1297 0.040 Uiso 1 1 calc R . .
C302 C 0.11731(10) 0.7015(2) 0.09980(16) 0.045 Uani 1 1 d . . .
H30F H 0.1170 0.7163 0.0795 0.054 Uiso 1 1 calc R . .
H30G H 0.1041 0.6917 0.0954 0.054 Uiso 1 1 calc R . .
C303 C 0.13227(8) 0.67064(18) 0.10589(15) 0.033 Uani 1 1 d . . .
H30H H 0.1257 0.6469 0.1036 0.040 Uiso 1 1 calc R . .
H30I H 0.1389 0.6719 0.0886 0.040 Uiso 1 1 calc R . .
C304 C 0.14705(9) 0.67561(16) 0.14298(14) 0.029 Uani 1 1 d . . .
H30J H 0.1510 0.6520 0.1546 0.035 Uiso 1 1 calc R . .
H30K H 0.1588 0.6884 0.1425 0.035 Uiso 1 1 calc R . .
C305 C 0.12664(18) 0.6612(3) 0.3160(3) 0.092 Uani 1 1 d . . .
C306 C 0.1578(3) 0.4260(5) 0.1068(4) 0.179 Uani 1 1 d . . .
C307 C 0.2023(2) 0.4058(3) 0.1810(4) 0.110 Uani 1 1 d . . .
C308 C 0.32301(10) 0.6341(2) 0.1435(3) 0.072 Uani 1 1 d . . .
C309 C 0.22178(10) 0.90948(19) 0.1687(2) 0.053 Uani 1 1 d . . .
C310 C 0.24021(14) 0.8951(3) 0.2607(3) 0.088 Uani 1 1 d . . .
Ga1D Ga 0.5000 0.56850(2) 0.2500 0.022 Uani 1 2 d S . .
Ga2D Ga 0.458023(7) 0.493697(16) 0.285554(15) 0.018 Uani 1 1 d . . .
Ga3D Ga 0.424123(8) 0.388420(16) 0.299196(14) 0.018 Uani 1 1 d . . .
Ga4D Ga 0.453387(8) 0.280344(16) 0.278221(15) 0.020 Uani 1 1 d . . .
Ga5D Ga 0.5000 0.20932(2) 0.2500 0.020 Uani 1 2 d S . .
O1D O 0.50148(5) 0.57159(10) 0.29796(10) 0.024 Uani 1 1 d . . .
O2D O 0.45937(5) 0.48188(11) 0.23935(10) 0.026 Uani 1 1 d . . .
O3D O 0.41114(5) 0.42108(10) 0.26105(9) 0.020 Uani 1 1 d . . .
O4D O 0.47440(5) 0.45485(10) 0.31378(10) 0.027 Uani 1 1 d . . .
O5D O 0.43682(5) 0.35680(10) 0.33818(9) 0.022 Uani 1 1 d . . .
O6D O 0.44605(5) 0.31602(10) 0.24003(9) 0.021 Uani 1 1 d . . .
O7D O 0.47320(5) 0.20792(10) 0.21844(10) 0.023 Uani 1 1 d . . .
O8D O 0.48086(5) 0.29304(10) 0.30339(9) 0.024 Uani 1 1 d . . .
O9D O 0.48071(6) 0.60990(11) 0.23561(11) 0.034 Uani 1 1 d . . .
O10D O 0.45774(8) 0.59311(14) 0.25428(17) 0.067 Uani 1 1 d . . .
O11D O 0.45843(9) 0.64659(16) 0.23663(18) 0.078 Uani 1 1 d . . .
O12D O 0.41512(5) 0.41377(11) 0.33422(10) 0.030 Uani 1 1 d . . .
O13D O 0.39778(5) 0.36440(10) 0.28456(9) 0.023 Uani 1 1 d . . .
O14D O 0.49610(6) 0.16902(11) 0.27979(12) 0.036 Uani 1 1 d . . .
N1D N 0.45942(6) 0.51803(12) 0.33215(11) 0.019 Uani 1 1 d . . .
H1D1 H 0.4504 0.5364 0.3267 0.023 Uiso 1 1 calc R . .
H1D2 H 0.4553 0.5012 0.3446 0.023 Uiso 1 1 calc R . .
N2D N 0.47843(6) 0.52784(12) 0.28355(11) 0.018 Uani 1 1 d . . .
N3D N 0.48018(6) 0.52957(12) 0.25051(11) 0.021 Uani 1 1 d . . .
N4D N 0.43375(6) 0.52604(12) 0.26074(11) 0.020 Uani 1 1 d . . .
H4D1 H 0.4280 0.5318 0.2767 0.024 Uiso 1 1 calc R . .
H4D2 H 0.4380 0.5473 0.2542 0.024 Uiso 1 1 calc R . .
N5D N 0.43828(6) 0.45532(11) 0.28214(11) 0.017 Uani 1 1 d . . .
N6D N 0.44559(6) 0.42641(12) 0.30541(11) 0.018 Uani 1 1 d . . .
N7D N 0.45302(7) 0.25096(13) 0.32218(11) 0.026 Uani 1 1 d . . .
H7D1 H 0.4403 0.2451 0.3189 0.031 Uiso 1 1 calc R . .
H7D2 H 0.4597 0.2297 0.3231 0.031 Uiso 1 1 calc R . .
N8D N 0.44248(6) 0.32020(12) 0.29870(11) 0.019 Uani 1 1 d . . .
N9D N 0.43351(6) 0.34795(12) 0.27454(10) 0.017 Uani 1 1 d . . .
N10D N 0.42806(6) 0.25180(13) 0.24966(12) 0.027 Uani 1 1 d . . .
H10W H 0.4278 0.2310 0.2617 0.032 Uiso 1 1 calc R . .
H10X H 0.4175 0.2655 0.2492 0.032 Uiso 1 1 calc R . .
N11D N 0.46715(6) 0.24625(12) 0.25685(11) 0.019 Uani 1 1 d . . .
N12D N 0.48756(6) 0.24591(12) 0.27411(11) 0.020 Uani 1 1 d . . .
N13D N 0.46517(8) 0.61483(16) 0.24125(15) 0.041 Uani 1 1 d . . .
C1D C 0.47781(7) 0.53299(15) 0.35564(13) 0.021 Uani 1 1 d . . .
C2D C 0.49093(7) 0.55057(14) 0.34286(14) 0.021 Uani 1 1 d . . .
C3D C 0.50648(7) 0.56940(15) 0.36669(15) 0.026 Uani 1 1 d . . .
H3D H 0.5153 0.5821 0.3586 0.031 Uiso 1 1 calc R . .
C4D C 0.50915(8) 0.56980(17) 0.40166(15) 0.031 Uani 1 1 d . . .
H4D H 0.5196 0.5833 0.4174 0.037 Uiso 1 1 calc R . .
C5D C 0.49670(8) 0.55066(17) 0.41390(15) 0.031 Uani 1 1 d . . .
H5D H 0.4991 0.5497 0.4382 0.037 Uiso 1 1 calc R . .
C6D C 0.48092(8) 0.53297(16) 0.39107(14) 0.026 Uani 1 1 d . . .
H6D H 0.4721 0.5207 0.3995 0.031 Uiso 1 1 calc R . .
C7D C 0.48993(7) 0.55023(14) 0.30634(14) 0.021 Uani 1 1 d . . .
C8D C 0.46950(7) 0.50426(16) 0.22922(14) 0.025 Uani 1 1 d . F .
C9D C 0.46920(9) 0.5035(2) 0.19287(16) 0.046 Uani 1 1 d . . .
C10D C 0.47723(13) 0.4651(3) 0.1847(2) 0.052 Uani 0.75 1 d P F 1
H10O H 0.4916 0.4637 0.1955 0.062 Uiso 0.75 1 calc PR F 1
H10P H 0.4714 0.4447 0.1932 0.062 Uiso 0.75 1 calc PR F 1
C11D C 0.47074(15) 0.4647(4) 0.1449(3) 0.078 Uani 0.75 1 d P F 1
H11G H 0.4811 0.4742 0.1370 0.094 Uiso 0.75 1 calc PR F 1
H11H H 0.4673 0.4400 0.1357 0.094 Uiso 0.75 1 calc PR F 1
C12D C 0.45313(13) 0.4891(3) 0.1333(2) 0.089 Uani 0.75 1 d P F 1
H12G H 0.4417 0.4756 0.1179 0.107 Uiso 0.75 1 calc PR F 1
H12H H 0.4555 0.5097 0.1199 0.107 Uiso 0.75 1 calc PR F 1
C13D C 0.44887(13) 0.5034(4) 0.1652(2) 0.055 Uani 0.75 1 d P F 1
H13M H 0.4432 0.5280 0.1610 0.066 Uiso 0.75 1 calc PR F 1
H13N H 0.4400 0.4871 0.1716 0.066 Uiso 0.75 1 calc PR F 1
C710 C 0.4542(4) 0.5432(7) 0.1749(6) 0.040 Uani 0.25 1 d P F 2
H71B H 0.4445 0.5475 0.1862 0.048 Uiso 0.25 1 calc PR F 2
H71D H 0.4622 0.5652 0.1769 0.048 Uiso 0.25 1 calc PR F 2
C711 C 0.4444(4) 0.5314(9) 0.1365(7) 0.058 Uani 0.25 1 d P F 2
H71E H 0.4477 0.5484 0.1208 0.069 Uiso 0.25 1 calc PR F 2
H71F H 0.4301 0.5307 0.1300 0.069 Uiso 0.25 1 calc PR F 2
C712 C 0.45313(13) 0.4891(3) 0.1333(2) 0.089 Uani 0.25 1 d P F 2
H71G H 0.4429 0.4736 0.1173 0.107 Uiso 0.25 1 calc PR F 2
H71H H 0.4644 0.4902 0.1253 0.107 Uiso 0.25 1 calc PR F 2
C713 C 0.4592(5) 0.4759(8) 0.1712(6) 0.048 Uani 0.25 1 d P F 2
H71I H 0.4476 0.4691 0.1767 0.058 Uiso 0.25 1 calc PR F 2
H71J H 0.4677 0.4543 0.1745 0.058 Uiso 0.25 1 calc PR F 2
C14D C 0.41890(7) 0.51076(15) 0.23019(13) 0.020 Uani 1 1 d . . .
C15D C 0.41206(7) 0.47586(14) 0.23128(13) 0.020 Uani 1 1 d . . .
C16D C 0.39677(8) 0.46298(16) 0.20186(14) 0.027 Uani 1 1 d . . .
H16J H 0.3916 0.4395 0.2023 0.033 Uiso 1 1 calc R . .
C17D C 0.38920(9) 0.48426(17) 0.17230(16) 0.035 Uani 1 1 d . . .
H17D H 0.3790 0.4752 0.1525 0.042 Uiso 1 1 calc R . .
C18D C 0.39645(9) 0.51891(19) 0.17150(15) 0.035 Uani 1 1 d . . .
H18D H 0.3913 0.5334 0.1512 0.042 Uiso 1 1 calc R . .
C19D C 0.41131(8) 0.53212(17) 0.20056(15) 0.030 Uani 1 1 d . . .
H19J H 0.4163 0.5557 0.2002 0.036 Uiso 1 1 calc R . .
C20D C 0.42068(7) 0.45018(14) 0.25997(13) 0.018 Uani 1 1 d . . .
C21D C 0.46470(7) 0.42922(15) 0.32137(14) 0.022 Uani 1 1 d . . .
C22D C 0.47553(8) 0.40344(17) 0.34990(16) 0.034 Uani 1 1 d . . .
H22J H 0.4662 0.3855 0.3534 0.041 Uiso 1 1 calc R . .
C23D C 0.48586(10) 0.4233(2) 0.38416(18) 0.048 Uani 1 1 d . . .
H23F H 0.4901 0.4474 0.3794 0.057 Uiso 1 1 calc R . .
H23G H 0.4769 0.4264 0.3972 0.057 Uiso 1 1 calc R . .
C24D C 0.49195(9) 0.38347(19) 0.3428(2) 0.056 Uani 1 1 d . . .
H24G H 0.4985 0.3992 0.3307 0.067 Uiso 1 1 calc R . .
H24H H 0.4871 0.3615 0.3287 0.067 Uiso 1 1 calc R . .
C25D C 0.50565(13) 0.3740(3) 0.3799(3) 0.097 Uani 1 1 d . . .
H25G H 0.5026 0.3495 0.3863 0.116 Uiso 1 1 calc R . .
H25H H 0.5193 0.3742 0.3809 0.116 Uiso 1 1 calc R . .
C26D C 0.50281(13) 0.4016(3) 0.4047(3) 0.083 Uani 1 1 d . . .
H26F H 0.5004 0.3896 0.4243 0.100 Uiso 1 1 calc R . .
H26G H 0.5145 0.4171 0.4142 0.100 Uiso 1 1 calc R . .
C27D C 0.46128(8) 0.26890(16) 0.35572(14) 0.026 Uani 1 1 d . . .
C28D C 0.45561(7) 0.30417(16) 0.35992(14) 0.025 Uani 1 1 d . . .
C29D C 0.46245(8) 0.31944(17) 0.39318(14) 0.029 Uani 1 1 d . . .
H29D H 0.4583 0.3430 0.3967 0.035 Uiso 1 1 calc R . .
C30D C 0.47520(9) 0.30053(19) 0.42108(15) 0.038 Uani 1 1 d . . .
H30L H 0.4798 0.3111 0.4436 0.046 Uiso 1 1 calc R . .
C31D C 0.48122(9) 0.2662(2) 0.41613(17) 0.042 Uani 1 1 d . . .
H31D H 0.4902 0.2536 0.4352 0.050 Uiso 1 1 calc R . .
C32D C 0.47419(8) 0.2503(2) 0.38374(15) 0.036 Uani 1 1 d . . .
H32D H 0.4782 0.2266 0.3806 0.043 Uiso 1 1 calc R . .
C33D C 0.44396(7) 0.32739(15) 0.33085(13) 0.021 Uani 1 1 d . . .
C34D C 0.43617(7) 0.34262(14) 0.24478(13) 0.017 Uani 1 1 d . . .
C35D C 0.42703(7) 0.36864(15) 0.21518(13) 0.023 Uani 1 1 d . . .
H35D H 0.4187 0.3862 0.2221 0.027 Uiso 1 1 calc R . .
C36D C 0.41474(8) 0.34987(17) 0.18103(14) 0.029 Uani 1 1 d . . .
H36Q H 0.4208 0.3268 0.1782 0.035 Uiso 1 1 calc R . .
H36R H 0.4014 0.3449 0.1808 0.035 Uiso 1 1 calc R . .
C37D C 0.41413(9) 0.37609(19) 0.15209(15) 0.038 Uani 1 1 d . . .
H37Q H 0.4014 0.3886 0.1434 0.046 Uiso 1 1 calc R . .
H37R H 0.4160 0.3630 0.1325 0.046 Uiso 1 1 calc R . .
C38D C 0.43049(9) 0.40318(17) 0.16754(15) 0.033 Uani 1 1 d . . .
H38Q H 0.4251 0.4275 0.1686 0.040 Uiso 1 1 calc R . .
H38R H 0.4389 0.4045 0.1533 0.040 Uiso 1 1 calc R . .
C39D C 0.44216(8) 0.38937(16) 0.20459(14) 0.027 Uani 1 1 d . . .
H39Q H 0.4529 0.3733 0.2044 0.033 Uiso 1 1 calc R . .
H39R H 0.4477 0.4097 0.2207 0.033 Uiso 1 1 calc R . .
C40D C 0.42536(7) 0.24170(15) 0.21389(14) 0.023 Uani 1 1 d . . .
C41D C 0.44072(7) 0.22787(15) 0.20480(14) 0.023 Uani 1 1 d . . .
C42D C 0.43678(8) 0.21621(17) 0.17089(15) 0.031 Uani 1 1 d . . .
H42F H 0.4470 0.2066 0.1644 0.038 Uiso 1 1 calc R . .
C43D C 0.41816(9) 0.21832(19) 0.14617(16) 0.040 Uani 1 1 d . . .
H43D H 0.4156 0.2098 0.1231 0.047 Uiso 1 1 calc R . .
C44D C 0.40317(9) 0.2332(2) 0.15553(16) 0.041 Uani 1 1 d . . .
H44D H 0.3904 0.2352 0.1388 0.049 Uiso 1 1 calc R . .
C45D C 0.40704(8) 0.24492(17) 0.18902(15) 0.031 Uani 1 1 d . . .
H45D H 0.3969 0.2555 0.1952 0.037 Uiso 1 1 calc R . .
C46D C 0.46124(7) 0.22674(14) 0.22830(14) 0.020 Uani 1 1 d . . .
C47D C 0.49317(7) 0.27114(15) 0.29792(14) 0.023 Uani 1 1 d . . .
C48D C 0.51418(7) 0.27510(16) 0.31993(14) 0.027 Uani 1 1 d . . .
H48D H 0.5215 0.2539 0.3158 0.032 Uiso 1 1 calc R . .
C49D C 0.51811(8) 0.27820(16) 0.35890(14) 0.028 Uani 1 1 d . . .
H49G H 0.5172 0.2543 0.3691 0.033 Uiso 1 1 calc R . .
H49H H 0.5087 0.2949 0.3635 0.033 Uiso 1 1 calc R . .
C50D C 0.53882(9) 0.29315(19) 0.37384(16) 0.039 Uani 1 1 d . . .
H50G H 0.5405 0.3080 0.3948 0.047 Uiso 1 1 calc R . .
H50H H 0.5485 0.2733 0.3802 0.047 Uiso 1 1 calc R . .
C51D C 0.54110(9) 0.3160(2) 0.34461(16) 0.048 Uani 1 1 d . . .
H51G H 0.5421 0.3419 0.3511 0.058 Uiso 1 1 calc R . .
H51H H 0.5530 0.3090 0.3402 0.058 Uiso 1 1 calc R . .
C52D C 0.52325(8) 0.30958(19) 0.31236(15) 0.036 Uani 1 1 d . . .
H52G H 0.5270 0.3066 0.2915 0.043 Uiso 1 1 calc R . .
H52H H 0.5140 0.3300 0.3084 0.043 Uiso 1 1 calc R . .
C53D C 0.40740(11) 0.39178(19) 0.3579(2) 0.049 Uani 1 1 d . . .
C54D C 0.37995(10) 0.3865(2) 0.2773(2) 0.050 Uani 1 1 d . . .
C55D C 0.48023(13) 0.1417(3) 0.2689(3) 0.089 Uani 1 1 d . . .
N1N N 0.00199(11) 0.45427(19) 0.9411(2) 0.067 Uani 1 1 d . . .
N2N N 0.05610(6) 0.87776(12) 0.94633(12) 0.025 Uani 1 1 d . . .
N3N N 0.12513(7) 0.84871(15) 0.81435(13) 0.034 Uani 1 1 d . . .
N4N N 0.16890(6) 0.77281(14) 0.81913(13) 0.031 Uani 1 1 d . . .
N5N N 0.27684(9) 0.5986(2) 0.96020(19) 0.062 Uani 1 1 d . . .
N6N N 0.10652(7) 0.50792(15) 0.73003(14) 0.038 Uani 1 1 d . . .
N7N N 0.39998(7) 0.61972(14) 0.96614(13) 0.033 Uani 1 1 d . . .
N8N N 0.40550(6) 0.48785(12) 0.81931(12) 0.023 Uani 1 1 d . . .
N9N N 0.44446(9) 0.28552(17) 0.88482(17) 0.050 Uani 1 1 d . . .
N10N N 0.25377(11) 0.0818(2) 0.8453(2) 0.074 Uani 1 1 d . . .
N11N N 0.23588(6) 0.26277(14) 0.96078(11) 0.026 Uani 1 1 d . . .
N12N N 0.0962(3) 0.6133(5) 0.3927(9) 0.391 Uani 1 1 d . . .
N13N N 0.12475(11) 0.55878(16) 0.29834(18) 0.059 Uani 1 1 d . . .
N14N N 0.26858(8) 0.47310(13) 0.08413(14) 0.034 Uani 1 1 d . . .
N15N N 0.26128(7) 0.55358(14) 0.03234(13) 0.034 Uani 1 1 d . . .
N16N N 0.26167(9) 0.88527(19) 0.13417(17) 0.055 Uani 1 1 d . . .
N17N N 0.18405(7) 0.88740(13) 0.26014(12) 0.031 Uani 1 1 d . . .
N18N N 0.12511(6) 0.79856(12) 0.26984(11) 0.021 Uani 1 1 d . . .
N19N N 0.03090(9) 0.61115(17) 0.05865(17) 0.051 Uani 1 1 d . . .
N20N N 0.48916(16) 0.1834(2) 0.1335(2) 0.094 Uani 1 1 d . . .
N21N N 0.40142(6) 0.26688(12) 0.31423(11) 0.022 Uani 1 1 d . . .
N22N N 0.43895(6) 0.47042(13) 0.39708(11) 0.024 Uani 1 1 d . . .
N23N N 0.36710(19) 0.1734(2) 0.8569(2) 0.125 Uani 1 1 d . . .
N24N N 0.99941(7) 0.80005(15) 0.97713(13) 0.032 Uani 1 1 d . . .
N25N N 0.18618(6) 0.68817(13) 0.85587(13) 0.029 Uani 1 1 d . . .
N26N N 0.11738(11) 0.4561(4) 0.1151(3) 0.241 Uani 1 1 d D . .
N27N N 0.3219(3) 0.1518(4) 0.0332(8) 0.544 Uani 1 1 d D . .
O1N O 0.01167(8) 0.42608(16) 0.94855(19) 0.079 Uani 1 1 d . . .
O2N O -0.00622(8) 0.46530(14) 0.90665(17) 0.065 Uani 1 1 d . . .
O3N O -0.00071(8) 0.47194(14) 0.96607(16) 0.063 Uani 1 1 d . . .
O4N O 0.07173(5) 0.86080(11) 0.96399(10) 0.030 Uani 1 1 d . . .
O5N O 0.05614(6) 0.89775(12) 0.92249(11) 0.038 Uani 1 1 d . . .
O6N O 0.04122(5) 0.87306(11) 0.95438(11) 0.031 Uani 1 1 d . . .
O7N O 0.13135(7) 0.83955(14) 0.79095(11) 0.047 Uani 1 1 d . . .
O8N O 0.12532(8) 0.88063(13) 0.82316(13) 0.050 Uani 1 1 d . . .
O9N O 0.11794(6) 0.82472(11) 0.82832(11) 0.036 Uani 1 1 d . . .
O10N O 0.18389(5) 0.78622(12) 0.81525(12) 0.038 Uani 1 1 d . . .
O11N O 0.16224(6) 0.78802(12) 0.84018(12) 0.038 Uani 1 1 d . . .
O12N O 0.16105(6) 0.74512(11) 0.80305(11) 0.033 Uani 1 1 d . . .
O13N O 0.28840(8) 0.57515(14) 0.95626(16) 0.063 Uani 1 1 d . . .
O14N O 0.28405(11) 0.62827(18) 0.9730(2) 0.094 Uani 1 1 d . . .
O15N O 0.25986(9) 0.5931(2) 0.9504(2) 0.099 Uani 1 1 d . . .
O16N O 0.10086(7) 0.47612(15) 0.72322(14) 0.058 Uani 1 1 d . . .
O17N O 0.11993(6) 0.52002(12) 0.72088(11) 0.036 Uani 1 1 d . . .
O18N O 0.09936(6) 0.52789(13) 0.74791(12) 0.045 Uani 1 1 d . . .
O19N O 0.41035(8) 0.61378(14) 0.94835(15) 0.064 Uani 1 1 d . . .
O20N O 0.39399(6) 0.65000(11) 0.96977(11) 0.035 Uani 1 1 d . . .
O21N O 0.39535(6) 0.59245(11) 0.98065(11) 0.034 Uani 1 1 d . . .
O22N O 0.39759(6) 0.51274(12) 0.80022(11) 0.037 Uani 1 1 d . . .
O23N O 0.40459(6) 0.48471(11) 0.84991(10) 0.029 Uani 1 1 d . . .
O24N O 0.41507(6) 0.46443(11) 0.81012(10) 0.029 Uani 1 1 d . . .
O25N O 0.45241(8) 0.29674(17) 0.86521(16) 0.070 Uani 1 1 d . . .
O26N O 0.44634(7) 0.30282(14) 0.91312(14) 0.054 Uani 1 1 d . . .
O27N O 0.43463(7) 0.25765(13) 0.87850(14) 0.053 Uani 1 1 d . . .
O28N O 0.26253(9) 0.05402(15) 0.83987(19) 0.081 Uani 1 1 d . . .
O29N O 0.26101(13) 0.11094(17) 0.8495(3) 0.118 Uani 1 1 d . . .
O30N O 0.23674(10) 0.07769(19) 0.84359(18) 0.088 Uani 1 1 d . . .
O31N O 0.23167(6) 0.23285(12) 0.94771(10) 0.032 Uani 1 1 d . . .
O32N O 0.25342(5) 0.27436(11) 0.97080(10) 0.031 Uani 1 1 d . . .
O33N O 0.22323(5) 0.28347(12) 0.96490(11) 0.033 Uani 1 1 d . . .
O34N O 0.10823(18) 0.6191(3) 0.3782(3) 0.179 Uani 1 1 d . . .
O35N O 0.0916(3) 0.6452(4) 0.4071(5) 0.309 Uani 1 1 d . . .
O36N O 0.09169(14) 0.58240(19) 0.3932(4) 0.187 Uani 1 1 d . . .
O37N O 0.12643(8) 0.52665(13) 0.30140(14) 0.056 Uani 1 1 d . . .
O38N O 0.13561(9) 0.57699(13) 0.28575(15) 0.065 Uani 1 1 d . . .
O39N O 0.11328(12) 0.57576(15) 0.3089(2) 0.105 Uani 1 1 d . . .
O40N O 0.27922(6) 0.45508(11) 0.07095(12) 0.039 Uani 1 1 d . . .
O41N O 0.27432(6) 0.50311(11) 0.09689(12) 0.037 Uani 1 1 d . . .
O42N O 0.25288(7) 0.46029(12) 0.08370(13) 0.045 Uani 1 1 d . . .
O43N O 0.25383(6) 0.52423(12) 0.01955(12) 0.037 Uani 1 1 d . . .
O44N O 0.27601(6) 0.56499(12) 0.02749(12) 0.040 Uani 1 1 d . . .
O45N O 0.25385(6) 0.57209(12) 0.05057(12) 0.042 Uani 1 1 d . . .
O46N O 0.27203(9) 0.87880(18) 0.11795(17) 0.079 Uani 1 1 d . . .
O47N O 0.25964(9) 0.91663(14) 0.14482(17) 0.071 Uani 1 1 d . . .
O48N O 0.25170(8) 0.85853(13) 0.14027(13) 0.051 Uani 1 1 d . . .
O49N O 0.19643(8) 0.86248(12) 0.26357(16) 0.061 Uani 1 1 d . . .
O50N O 0.18976(6) 0.91892(11) 0.26316(12) 0.042 Uani 1 1 d . . .
O51N O 0.16700(7) 0.87865(13) 0.25480(15) 0.058 Uani 1 1 d . . .
O52N O 0.13081(5) 0.76967(10) 0.28540(10) 0.028 Uani 1 1 d . . .
O53N O 0.13684(5) 0.82131(11) 0.26674(10) 0.028 Uani 1 1 d . . .
O54N O 0.10695(5) 0.80532(11) 0.25707(10) 0.027 Uani 1 1 d . . .
O55N O 0.03724(8) 0.58730(15) 0.08116(13) 0.059 Uani 1 1 d . . .
O56N O 0.02126(8) 0.60200(14) 0.02811(12) 0.055 Uani 1 1 d . . .
O57N O 0.03411(10) 0.64350(16) 0.06605(18) 0.092 Uani 1 1 d . . .
O58N O 0.49007(9) 0.18627(18) 0.10439(15) 0.075 Uani 1 1 d . . .
O59N O 0.5044(2) 0.1838(3) 0.15826(19) 0.212 Uani 1 1 d . . .
O60N O 0.47395(16) 0.1816(2) 0.1392(2) 0.133 Uani 1 1 d . . .
O61N O 0.41079(6) 0.24084(11) 0.30704(11) 0.035 Uani 1 1 d . . .
O62N O 0.40987(5) 0.28988(12) 0.33555(10) 0.031 Uani 1 1 d . . .
O63N O 0.38332(5) 0.26817(11) 0.29874(10) 0.029 Uani 1 1 d . . .
O64N O 0.44095(6) 0.46579(11) 0.36762(10) 0.028 Uani 1 1 d . . .
O65N O 0.44847(7) 0.49324(13) 0.41727(11) 0.045 Uani 1 1 d . . .
O66N O 0.42700(5) 0.45095(11) 0.40421(10) 0.030 Uani 1 1 d . . .
O67N O 0.37069(9) 0.19573(14) 0.87921(14) 0.063 Uani 1 1 d . . .
O68N O 0.3707(2) 0.1770(2) 0.8311(2) 0.170 Uani 1 1 d . . .
O69N O 0.3622(4) 0.1470(4) 0.8651(3) 0.460 Uani 1 1 d . . .
O70N O 0.99442(6) 0.78408(14) 0.94910(12) 0.048 Uani 1 1 d . . .
O71N O 1.01216(6) 0.82428(12) 0.98414(12) 0.038 Uani 1 1 d . . .
O72N O 0.99143(9) 0.7921(2) 0.99754(14) 0.104 Uani 1 1 d . . .
O73N O 0.19246(6) 0.67191(11) 0.83536(12) 0.036 Uani 1 1 d . . .
O74N O 0.19435(5) 0.71593(11) 0.87124(11) 0.032 Uani 1 1 d . . .
O75N O 0.17120(5) 0.67619(11) 0.86123(11) 0.033 Uani 1 1 d . . .
O76N O 0.13103(7) 0.48319(16) 0.13747(17) 0.070 Uani 1 1 d D . .
O77N O 0.10255(14) 0.4702(2) 0.1256(3) 0.163 Uani 1 1 d D . .
O79N O 0.30537(14) 0.1633(2) 0.0058(2) 0.127 Uani 1 1 d D . .
O80N O 0.3386(2) 0.1715(4) 0.0498(4) 0.287 Uani 1 1 d D . .
O81N O 0.3273(5) 0.1197(4) 0.0336(7) 0.608 Uani 1 1 d D . .
O1M O 0.44362(5) 0.41000(10) 0.82984(10) 0.026 Uani 1 1 d . . .
C1M C 0.45820(9) 0.38140(17) 0.83725(17) 0.034 Uani 1 1 d . . .
O2M O 0.41601(6) 0.39592(11) 0.76910(11) 0.037 Uani 1 1 d . . .
C2M C 0.41733(10) 0.35793(18) 0.76095(18) 0.042 Uani 1 1 d . . .
O3M O 0.12322(6) 0.90563(13) 0.74889(13) 0.047 Uani 1 1 d . . .
C3M C 0.13036(11) 0.9420(2) 0.76191(19) 0.051 Uani 1 1 d . . .
O4M O 0.41844(8) 0.19053(14) 0.92078(15) 0.060 Uani 1 1 d . . .
C4M C 0.4216(2) 0.1722(4) 0.8928(4) 0.134 Uani 1 1 d . . .
O5M O 0.02234(9) 0.43234(17) 0.02234(17) 0.077 Uani 1 1 d . . .
C5M C 0.03904(14) 0.4060(3) 0.0319(3) 0.073 Uani 1 1 d . . .
O6M O 0.22575(10) 0.6262(2) 0.9631(2) 0.107 Uani 1 1 d . . .
C6M C 0.21678(15) 0.6573(3) 0.9466(3) 0.090 Uani 1 1 d . . .
O7M O 0.20088(11) 0.5654(2) 0.9336(2) 0.110 Uani 1 1 d . . .
C7M C 0.21469(14) 0.5441(3) 0.9258(3) 0.080 Uani 1 1 d . . .
O8M O 0.04177(14) 0.4466(4) 0.6462(3) 0.185 Uani 1 1 d . . .
C8M C 0.06109(16) 0.4386(5) 0.6611(4) 0.164 Uani 1 1 d . . .
O9M O 0.04190(16) 0.8952(5) 0.0320(4) 0.275 Uani 1 1 d . . .
C9M C 0.02140(18) 0.8807(3) 0.0317(3) 0.109 Uani 1 1 d . . .
O10M O 0.43595(11) 0.17897(18) 0.2758(3) 0.117 Uani 1 1 d . . .
C10M C 0.42217(17) 0.1469(4) 0.2572(4) 0.131 Uani 1 1 d . . .
O11M O 0.0508(2) 0.3656(5) 0.9150(5) 0.265 Uani 1 1 d . . .
C11M C 0.0529(4) 0.3683(5) 0.9560(6) 0.263 Uani 1 1 d . . .
O12M O 0.1550(2) 0.3964(3) 0.0251(4) 0.225 Uani 1 1 d . . .
C12M C 0.1432(3) 0.4272(4) 0.0080(5) 0.177 Uani 1 1 d . . .
O13M O 0.2227(2) 0.5939(4) 0.7782(5) 0.273 Uani 1 1 d D . .
C13M C 0.2039(3) 0.6144(5) 0.7746(5) 0.192 Uani 1 1 d D . .
O14M O 0.1919(2) 0.4210(5) 0.0419(4) 0.265 Uani 1 1 d . . .
C14M C 0.2075(2) 0.4117(6) 0.0730(4) 0.177 Uani 1 1 d . . .
O15M O 0.3491(3) 0.4401(8) 0.2070(5) 0.388 Uani 1 1 d . . .
C15M C 0.3390(4) 0.4687(4) 0.2047(6) 0.235 Uani 1 1 d . . .
O16M O 0.1256(3) 0.5874(5) 0.6766(6) 0.416 Uani 1 1 d D . .
C16M C 0.1054(2) 0.6010(6) 0.6738(5) 0.217 Uani 1 1 d D . .
O17M O 0.07766(14) 0.5913(3) 0.3151(3) 0.167 Uani 1 1 d . . .
C17M C 0.0600(3) 0.6166(5) 0.3097(5) 0.174 Uani 1 1 d . . .
O18M O 0.20042(16) 0.5944(3) 0.1940(3) 0.167 Uani 1 1 d . . .
C18M C 0.2077(3) 0.6293(5) 0.1842(6) 0.221 Uani 1 1 d . . .
O19M O 0.22128(16) 0.4552(3) 0.9906(3) 0.180 Uani 1 1 d . . .
C19M C 0.20600(18) 0.4362(4) 0.9857(5) 0.154 Uani 1 1 d . . .
O20M O 0.4619(2) 0.1712(3) 0.3327(3) 0.218 Uani 1 1 d . . .
C20M C 0.4564(4) 0.1533(7) 0.3576(5) 0.287 Uani 1 1 d . . .
O21M O 0.14757(14) 0.5922(3) 0.7382(2) 0.134 Uani 1 1 d D . .
C21M C 0.1553(3) 0.6332(5) 0.7411(5) 0.314 Uani 1 1 d D . .
O22M O 0.21934(14) 0.3641(3) 0.9580(5) 0.332 Uani 1 1 d D . .
C22M C 0.2096(6) 0.3552(8) 0.9171(5) 0.383 Uani 1 1 d D . .
O23M O -0.00036(19) 0.0578(4) 0.5057(3) 0.204 Uani 1 1 d . . .
C23M C 0.0105(3) 0.0299(5) 0.5230(6) 0.223 Uani 1 1 d . . .
O24M O 0.1928(2) 0.9049(7) 0.3457(4) 0.380 Uani 1 1 d . . .
C24M C 0.2051(3) 0.8818(4) 0.3423(4) 0.189 Uani 1 1 d . . .
O1W O 0.2998(3) 0.6369(4) 0.0522(3) 0.254 Uani 1 1 d . . .
O2W O 0.4046(3) 0.1368(6) 0.9578(5) 0.329 Uani 1 1 d . . .
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'
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
_geom_angle_publ_flag
O15A Ga1A O1A 175.07(15) . . ?
O15A Ga1A O17A 91.09(17) . . ?
O1A Ga1A O17A 85.67(17) . . ?
O15A Ga1A O18A 84.96(15) . . ?
O1A Ga1A O18A 91.22(16) . . ?
O17A Ga1A O18A 88.29(17) . . ?
O15A Ga1A N3A 103.59(17) . . ?
O1A Ga1A N3A 79.26(17) . . ?
O17A Ga1A N3A 164.11(17) . . ?
O18A Ga1A N3A 87.01(17) . . ?
O15A Ga1A N24A 79.91(16) . . ?
O1A Ga1A N24A 103.89(17) . . ?
O17A Ga1A N24A 91.91(18) . . ?
O18A Ga1A N24A 164.87(17) . . ?
N3A Ga1A N24A 96.56(18) . . ?
O4A Ga2A O2A 98.00(17) . . ?
O4A Ga2A N5A 78.33(19) . . ?
O2A Ga2A N5A 97.21(18) . . ?
O4A Ga2A N2A 92.01(18) . . ?
O2A Ga2A N2A 78.85(17) . . ?
N5A Ga2A N2A 169.05(19) . . ?
O4A Ga2A N4A 164.7(2) . . ?
O2A Ga2A N4A 89.34(19) . . ?
N5A Ga2A N4A 87.5(2) . . ?
N2A Ga2A N4A 102.6(2) . . ?
O4A Ga2A N1A 90.6(2) . . ?
O2A Ga2A N1A 160.10(18) . . ?
N5A Ga2A N1A 102.1(2) . . ?
N2A Ga2A N1A 82.95(19) . . ?
N4A Ga2A N1A 86.8(2) . . ?
O5A Ga3A O3A 178.1(2) . . ?
O5A Ga3A O20A 90.8(2) . . ?
O3A Ga3A O20A 87.4(2) . . ?
O5A Ga3A O19A 85.8(2) . . ?
O3A Ga3A O19A 93.8(2) . . ?
O20A Ga3A O19A 89.6(2) . . ?
O5A Ga3A N6A 102.4(2) . . ?
O3A Ga3A N6A 79.5(2) . . ?
O20A Ga3A N6A 166.0(2) . . ?
O19A Ga3A N6A 86.6(2) . . ?
O5A Ga3A N9A 80.05(19) . . ?
O3A Ga3A N9A 100.3(2) . . ?
O20A Ga3A N9A 89.9(2) . . ?
O19A Ga3A N9A 165.9(2) . . ?
N6A Ga3A N9A 97.02(19) . . ?
O8A Ga4A O6A 99.84(18) . . ?
O8A Ga4A N11A 78.91(18) . . ?
O6A Ga4A N11A 95.67(18) . . ?
O8A Ga4A N8A 95.29(19) . . ?
O6A Ga4A N8A 78.12(19) . . ?
N11A Ga4A N8A 170.77(19) . . ?
O8A Ga4A N10A 164.8(2) . . ?
O6A Ga4A N10A 87.5(2) . . ?
N11A Ga4A N10A 87.2(2) . . ?
N8A Ga4A N10A 99.3(2) . . ?
O8A Ga4A N7A 88.7(2) . . ?
O6A Ga4A N7A 162.6(2) . . ?
N11A Ga4A N7A 100.9(2) . . ?
N8A Ga4A N7A 86.0(2) . . ?
N10A Ga4A N7A 88.0(2) . . ?
O7A Ga5A O9A 177.36(16) . . ?
O7A Ga5A O21A 91.50(19) . . ?
O9A Ga5A O21A 86.97(18) . . ?
O7A Ga5A O22A 86.01(18) . . ?
O9A Ga5A O22A 91.75(18) . . ?
O21A Ga5A O22A 86.38(18) . . ?
O7A Ga5A N12A 78.98(18) . . ?
O9A Ga5A N12A 103.14(19) . . ?
O21A Ga5A N12A 89.27(19) . . ?
O22A Ga5A N12A 164.25(19) . . ?
O7A Ga5A N15A 102.62(18) . . ?
O9A Ga5A N15A 78.72(17) . . ?
O21A Ga5A N15A 164.97(19) . . ?
O22A Ga5A N15A 89.43(17) . . ?
N12A Ga5A N15A 98.40(18) . . ?
O12A Ga6A O10A 101.39(15) . . ?
O12A Ga6A N14A 96.10(16) . . ?
O10A Ga6A N14A 78.41(17) . . ?
O12A Ga6A N17A 78.38(15) . . ?
O10A Ga6A N17A 97.16(16) . . ?
N14A Ga6A N17A 172.21(16) . . ?
O12A Ga6A N16A 163.20(17) . . ?
O10A Ga6A N16A 87.54(17) . . ?
N14A Ga6A N16A 99.65(17) . . ?
N17A Ga6A N16A 86.46(16) . . ?
O12A Ga6A N13A 89.22(16) . . ?
O10A Ga6A N13A 160.54(16) . . ?
N14A Ga6A N13A 84.32(18) . . ?
N17A Ga6A N13A 100.97(17) . . ?
N16A Ga6A N13A 86.57(17) . . ?
O13A Ga7A O11A 177.70(16) . . ?
O13A Ga7A O23A 87.98(15) . . ?
O11A Ga7A O23A 89.75(16) . . ?
O13A Ga7A O24A 93.41(16) . . ?
O11A Ga7A O24A 86.15(15) . . ?
O23A Ga7A O24A 87.91(17) . . ?
O13A Ga7A N21A 79.68(16) . . ?
O11A Ga7A N21A 102.54(16) . . ?
O23A Ga7A N21A 165.99(16) . . ?
O24A Ga7A N21A 86.24(16) . . ?
O13A Ga7A N18A 101.03(16) . . ?
O11A Ga7A N18A 79.30(15) . . ?
O23A Ga7A N18A 89.74(16) . . ?
O24A Ga7A N18A 165.27(16) . . ?
N21A Ga7A N18A 99.06(17) . . ?
O14A Ga8A O16A 102.18(15) . . ?
O14A Ga8A N23A 97.57(16) . . ?
O16A Ga8A N23A 78.47(16) . . ?
O14A Ga8A N20A 78.37(15) . . ?
O16A Ga8A N20A 92.55(16) . . ?
N23A Ga8A N20A 169.24(18) . . ?
O14A Ga8A N19A 160.20(16) . . ?
O16A Ga8A N19A 88.70(16) . . ?
N23A Ga8A N19A 100.82(17) . . ?
N20A Ga8A N19A 84.73(16) . . ?
O14A Ga8A N22A 87.78(16) . . ?
O16A Ga8A N22A 161.49(15) . . ?
N23A Ga8A N22A 84.82(17) . . ?
N20A Ga8A N22A 104.83(17) . . ?
N19A Ga8A N22A 86.63(17) . . ?
C7A O1A Ga1A 112.5(3) . . ?
C8A O2A Ga2A 113.5(3) . . ?
C20A O3A Ga3A 115.2(4) . . ?
C21A O4A Ga2A 115.7(4) . . ?
C33A O5A Ga3A 115.6(4) . . ?
C34A O6A Ga4A 112.9(4) . . ?
C46A O7A Ga5A 114.9(4) . . ?
C47A O8A Ga4A 114.0(4) . . ?
C59A O9A Ga5A 116.1(4) . . ?
C60A O10A Ga6A 113.9(3) . . ?
C72A O11A Ga7A 115.6(3) . . ?
C73A O12A Ga6A 114.2(3) . . ?
C85A O13A Ga7A 115.4(3) . . ?
C86A O14A Ga8A 114.1(3) . . ?
C98A O15A Ga1A 114.9(3) . . ?
C99A O16A Ga8A 114.0(3) . . ?
C105 O17A Ga1A 128.2(5) . . ?
C106 O18A Ga1A 124.5(4) . . ?
C107 O19A Ga3A 131.2(6) . . ?
C108 O22A Ga5A 121.7(4) . . ?
C109 O23A Ga7A 125.1(4) . . ?
C110 O24A Ga7A 128.4(4) . . ?
C1A N1A Ga2A 117.2(4) . . ?
C7A N2A N3A 113.1(5) . . ?
C7A N2A Ga2A 132.1(4) . . ?
N3A N2A Ga2A 113.3(3) . . ?
C8A N3A N2A 110.9(4) . . ?
C8A N3A Ga1A 139.8(4) . . ?
N2A N3A Ga1A 109.2(3) . . ?
C14A N4A Ga2A 120.8(4) . . ?
C20A N5A N6A 113.2(5) . . ?
C20A N5A Ga2A 133.1(4) . . ?
N6A N5A Ga2A 113.7(4) . . ?
C21A N6A N5A 111.3(5) . . ?
C21A N6A Ga3A 137.9(4) . . ?
N5A N6A Ga3A 110.5(4) . . ?
C27A N7A Ga4A 119.3(4) . . ?
C33A N8A N9A 114.3(5) . . ?
C33A N8A Ga4A 132.2(5) . . ?
N9A N8A Ga4A 113.4(4) . . ?
C34A N9A N8A 110.6(5) . . ?
C34A N9A Ga3A 139.0(4) . . ?
N8A N9A Ga3A 109.4(4) . . ?
C40A N10A Ga4A 121.1(4) . . ?
C46A N11A N12A 113.7(5) . . ?
C46A N11A Ga4A 131.7(4) . . ?
N12A N11A Ga4A 113.7(3) . . ?
C47A N12A N11A 111.5(5) . . ?
C47A N12A Ga5A 138.2(4) . . ?
N11A N12A Ga5A 110.1(3) . . ?
C53A N13A Ga6A 116.4(3) . . ?
C59A N14A N15A 114.1(4) . . ?
C59A N14A Ga6A 132.1(4) . . ?
N15A N14A Ga6A 113.3(3) . . ?
C60A N15A N14A 111.2(4) . . ?
C60A N15A Ga5A 137.8(4) . . ?
N14A N15A Ga5A 110.4(3) . . ?
C66A N16A Ga6A 119.7(3) . . ?
C72A N17A N18A 113.5(4) . . ?
C72A N17A Ga6A 132.7(3) . . ?
N18A N17A Ga6A 113.7(3) . . ?
C73A N18A N17A 110.4(4) . . ?
C73A N18A Ga7A 139.1(3) . . ?
N17A N18A Ga7A 110.1(3) . . ?
C79A N19A Ga8A 116.9(3) . . ?
C85A N20A N21A 113.7(4) . . ?
C85A N20A Ga8A 132.2(3) . . ?
N21A N20A Ga8A 113.9(3) . . ?
C86A N21A N20A 110.5(4) . . ?
C86A N21A Ga7A 138.2(3) . . ?
N20A N21A Ga7A 110.3(3) . . ?
C92A N22A Ga8A 118.2(3) . . ?
C98A N23A N24A 113.1(4) . . ?
C98A N23A Ga8A 133.2(4) . . ?
N24A N23A Ga8A 113.6(3) . . ?
C99A N24A N23A 110.8(4) . . ?
C99A N24A Ga1A 138.2(4) . . ?
N23A N24A Ga1A 110.5(3) . . ?
C6A C1A C2A 119.8(7) . . ?
C6A C1A N1A 119.9(6) . . ?
C2A C1A N1A 120.3(6) . . ?
C3A C2A C1A 118.5(6) . . ?
C3A C2A C7A 117.8(6) . . ?
C1A C2A C7A 123.6(6) . . ?
C4A C3A C2A 121.6(7) . . ?
C5A C4A C3A 117.9(8) . . ?
C6A C5A C4A 122.3(7) . . ?
C5A C6A C1A 119.9(7) . . ?
O1A C7A N2A 121.8(5) . . ?
O1A C7A C2A 117.9(5) . . ?
N2A C7A C2A 120.2(5) . . ?
O2A C8A N3A 122.6(5) . . ?
O2A C8A C9A 118.6(5) . . ?
N3A C8A C9A 118.8(5) . . ?
C8A C9A C10A 113.1(6) . . ?
C8A C9A C13A 110.5(6) . . ?
C10A C9A C13A 103.5(6) . . ?
C11A C10A C9A 107.6(7) . . ?
C12A C11A C10A 105.5(8) . . ?
C11A C12A C13A 105.9(7) . . ?
C12A C13A C9A 102.9(8) . . ?
C19A C14A C15A 120.3(7) . . ?
C19A C14A N4A 118.0(7) . . ?
C15A C14A N4A 121.5(6) . . ?
C16A C15A C14A 120.1(7) . . ?
C16A C15A C20A 115.1(6) . . ?
C14A C15A C20A 124.7(6) . . ?
C15A C16A C17A 118.7(8) . . ?
C18A C17A C16A 119.8(8) . . ?
C19A C18A C17A 121.1(8) . . ?
C18A C19A C14A 120.0(8) . . ?
N5A C20A O3A 121.5(6) . . ?
N5A C20A C15A 120.6(6) . . ?
O3A C20A C15A 117.8(6) . . ?
O4A C21A N6A 120.2(6) . . ?
O4A C21A C22A 118.9(6) . . ?
N6A C21A C22A 120.9(6) . . ?
C21A C22A C26A 111.9(6) . . ?
C21A C22A C23A 112.8(5) . . ?
C26A C22A C23A 103.5(6) . . ?
C22A C23A C24A 105.0(7) . . ?
C25A C24A C23A 101.5(10) . . ?
C24A C25A C26A 109.4(10) . . ?
C22A C26A C25A 98.9(7) . . ?
C28A C27A C32A 120.0(6) . . ?
C28A C27A N7A 122.0(6) . . ?
C32A C27A N7A 117.9(6) . . ?
C27A C28A C29A 118.4(7) . . ?
C27A C28A C33A 125.7(6) . . ?
C29A C28A C33A 115.9(6) . . ?
C30A C29A C28A 120.7(7) . . ?
C29A C30A C31A 120.9(7) . . ?
C32A C31A C30A 118.7(8) . . ?
C31A C32A C27A 121.3(7) . . ?
O5A C33A N8A 120.5(6) . . ?
O5A C33A C28A 119.4(6) . . ?
N8A C33A C28A 120.0(6) . . ?
O6A C34A N9A 122.5(6) . . ?
O6A C34A C35A 117.0(6) . . ?
N9A C34A C35A 120.4(6) . . ?
C34A C35A C36A 114.7(6) . . ?
C34A C35A C39A 113.1(5) . . ?
C36A C35A C39A 102.4(6) . . ?
C35A C36A C37A 103.1(6) . . ?
C38A C37A C36A 106.8(6) . . ?
C39A C38A C37A 104.9(7) . . ?
C38A C39A C35A 105.4(6) . . ?
C41A C40A C45A 119.9(7) . . ?
C41A C40A N10A 122.1(6) . . ?
C45A C40A N10A 117.9(6) . . ?
C40A C41A C42A 118.7(6) . . ?
C40A C41A C46A 125.7(6) . . ?
C42A C41A C46A 115.5(6) . . ?
C43A C42A C41A 120.0(7) . . ?
C44A C43A C42A 120.7(7) . . ?
C43A C44A C45A 120.5(8) . . ?
C44A C45A C40A 120.1(7) . . ?
O7A C46A N11A 120.8(5) . . ?
O7A C46A C41A 118.4(5) . . ?
N11A C46A C41A 120.8(5) . . ?
O8A C47A N12A 121.2(6) . . ?
O8A C47A C48A 118.8(5) . . ?
N12A C47A C48A 119.9(6) . . ?
C47A C48A C49A 112.8(6) . . ?
C47A C48A C52A 114.0(6) . . ?
C49A C48A C52A 103.0(5) . . ?
C48A C49A C50A 104.3(7) . . ?
C51A C50A C49A 105.0(7) . . ?
C50A C51A C52A 107.6(6) . . ?
C48A C52A C51A 104.2(6) . . ?
C58A C53A C54A 120.1(5) . . ?
C58A C53A N13A 119.2(5) . . ?
C54A C53A N13A 120.6(5) . . ?
C55A C54A C53A 117.9(6) . . ?
C55A C54A C59A 117.8(6) . . ?
C53A C54A C59A 124.2(5) . . ?
C56A C55A C54A 121.1(6) . . ?
C57A C56A C55A 120.5(6) . . ?
C56A C57A C58A 119.7(6) . . ?
C53A C58A C57A 120.6(6) . . ?
O9A C59A N14A 120.1(5) . . ?
O9A C59A C54A 119.6(5) . . ?
N14A C59A C54A 120.1(5) . . ?
O10A C60A N15A 121.6(5) . . ?
O10A C60A C61A 119.1(5) . . ?
N15A C60A C61A 119.3(5) . . ?
C60A C61A C65A 113.1(5) . . ?
C60A C61A C62A 113.6(5) . . ?
C65A C61A C62A 101.6(6) . . ?
C63A C62A C61A 103.8(6) . . ?
C64A C63A C62A 102.8(6) . . ?
C63A C64A C65A 107.1(6) . . ?
C64A C65A C61A 106.9(6) . . ?
C71A C66A C67A 120.3(5) . . ?
C71A C66A N16A 118.7(5) . . ?
C67A C66A N16A 121.0(5) . . ?
C68A C67A C66A 118.0(5) . . ?
C68A C67A C72A 117.4(5) . . ?
C66A C67A C72A 124.5(5) . . ?
C69A C68A C67A 121.2(5) . . ?
C68A C69A C70A 119.8(6) . . ?
C71A C70A C69A 120.2(5) . . ?
C66A C71A C70A 120.3(5) . . ?
O11A C72A N17A 121.3(4) . . ?
O11A C72A C67A 117.9(5) . . ?
N17A C72A C67A 120.5(5) . . ?
O12A C73A N18A 121.7(4) . . ?
O12A C73A C74A 118.4(4) . . ?
N18A C73A C74A 119.8(5) . . ?
C73A C74A C75A 112.9(4) . . ?
C73A C74A C78A 114.2(5) . . ?
C75A C74A C78A 101.9(5) . . ?
C74A C75A C76A 103.3(5) . . ?
C77A C76A C75A 106.4(5) . . ?
C76A C77A C78A 105.8(5) . . ?
C74A C78A C77A 105.7(5) . . ?
C84A C79A C80A 121.2(5) . . ?
C84A C79A N19A 118.8(4) . . ?
C80A C79A N19A 120.0(4) . . ?
C79A C80A C81A 117.9(5) . . ?
C79A C80A C85A 125.1(5) . . ?
C81A C80A C85A 116.7(4) . . ?
C82A C81A C80A 120.7(5) . . ?
C81A C82A C83A 120.5(5) . . ?
C82A C83A C84A 118.8(5) . . ?
C79A C84A C83A 120.6(5) . . ?
O13A C85A N20A 120.8(5) . . ?
O13A C85A C80A 119.4(4) . . ?
N20A C85A C80A 119.6(4) . . ?
O14A C86A N21A 121.6(4) . . ?
O14A C86A C87A 118.5(4) . . ?
N21A C86A C87A 119.9(5) . . ?
C86A C87A C88A 114.5(5) . . ?
C86A C87A C91A 111.8(4) . . ?
C88A C87A C91A 102.8(5) . . ?
C89A C88A C87A 105.4(5) . . ?
C88A C89A C90A 106.4(5) . . ?
C91A C90A C89A 106.1(6) . . ?
C90A C91A C87A 101.6(5) . . ?
C97A C92A C93A 119.3(5) . . ?
C97A C92A N22A 119.2(5) . . ?
C93A C92A N22A 121.3(4) . . ?
C92A C93A C94A 119.5(5) . . ?
C92A C93A C98A 124.5(5) . . ?
C94A C93A C98A 116.0(5) . . ?
C95A C94A C93A 120.8(5) . . ?
C96A C95A C94A 119.2(5) . . ?
C95A C96A C97A 120.1(5) . . ?
C92A C97A C96A 121.0(5) . . ?
O15A C98A N23A 121.4(5) . . ?
O15A C98A C93A 118.5(4) . . ?
N23A C98A C93A 119.9(5) . . ?
O16A C99A N24A 121.3(5) . . ?
O16A C99A C100 119.5(5) . . ?
N24A C99A C100 119.2(5) . . ?
C104 C100 C99A 117.8(7) . . ?
C104 C100 C101 100.6(10) . . ?
C99A C100 C101 106.1(6) . . ?
C102 C101 C100 107.4(12) . . ?
C101 C102 C103 102.8(12) . . ?
C104 C103 C102 102.9(10) . . ?
C103 C104 C100 108.4(12) . . ?
O1B Ga1B O15B 177.49(17) . . ?
O1B Ga1B O18B 96.16(17) . . ?
O15B Ga1B O18B 86.18(17) . . ?
O1B Ga1B O17B 87.35(17) . . ?
O15B Ga1B O17B 92.00(18) . . ?
O18B Ga1B O17B 84.02(17) . . ?
O1B Ga1B N3B 79.81(16) . . ?
O15B Ga1B N3B 101.16(17) . . ?
O18B Ga1B N3B 89.37(17) . . ?
O17B Ga1B N3B 164.86(18) . . ?
O1B Ga1B N24B 98.67(16) . . ?
O15B Ga1B N24B 78.90(16) . . ?
O18B Ga1B N24B 163.50(18) . . ?
O17B Ga1B N24B 89.46(17) . . ?
N3B Ga1B N24B 100.32(17) . . ?
O2B Ga2B O4B 99.16(16) . . ?
O2B Ga2B N5B 98.72(16) . . ?
O4B Ga2B N5B 78.47(16) . . ?
O2B Ga2B N2B 78.61(16) . . ?
O4B Ga2B N2B 93.08(16) . . ?
N5B Ga2B N2B 170.69(17) . . ?
O2B Ga2B N1B 160.75(16) . . ?
O4B Ga2B N1B 90.83(16) . . ?
N5B Ga2B N1B 99.39(17) . . ?
N2B Ga2B N1B 84.49(17) . . ?
O2B Ga2B N4B 89.14(17) . . ?
O4B Ga2B N4B 162.33(17) . . ?
N5B Ga2B N4B 84.90(17) . . ?
N2B Ga2B N4B 103.88(17) . . ?
N1B Ga2B N4B 86.00(18) . . ?
O3B Ga3B O5B 175.29(17) . . ?
O3B Ga3B O19B 90.68(18) . . ?
O5B Ga3B O19B 86.96(17) . . ?
O3B Ga3B O20B 85.15(17) . . ?
O5B Ga3B O20B 90.67(17) . . ?
O19B Ga3B O20B 87.57(19) . . ?
O3B Ga3B N6B 79.88(16) . . ?
O5B Ga3B N6B 104.26(17) . . ?
O19B Ga3B N6B 92.05(18) . . ?
O20B Ga3B N6B 165.03(18) . . ?
O3B Ga3B N9B 102.68(17) . . ?
O5B Ga3B N9B 79.41(17) . . ?
O19B Ga3B N9B 166.03(18) . . ?
O20B Ga3B N9B 89.49(18) . . ?
N6B Ga3B N9B 94.28(18) . . ?
O6B Ga4B O8B 100.63(16) . . ?
O6B Ga4B N11B 97.62(18) . . ?
O8B Ga4B N11B 78.41(16) . . ?
O6B Ga4B N8B 79.09(17) . . ?
O8B Ga4B N8B 93.95(16) . . ?
N11B Ga4B N8B 171.07(18) . . ?
O6B Ga4B N7B 160.72(18) . . ?
O8B Ga4B N7B 89.37(18) . . ?
N11B Ga4B N7B 100.54(19) . . ?
N8B Ga4B N7B 83.85(18) . . ?
O6B Ga4B N10B 88.92(18) . . ?
O8B Ga4B N10B 162.93(16) . . ?
N11B Ga4B N10B 86.37(18) . . ?
N8B Ga4B N10B 101.78(18) . . ?
N7B Ga4B N10B 85.81(19) . . ?
O7B Ga5B O9B 178.44(15) . . ?
O7B Ga5B O22B 88.03(15) . . ?
O9B Ga5B O22B 91.44(15) . . ?
O7B Ga5B O21B 89.27(17) . . ?
O9B Ga5B O21B 89.23(17) . . ?
O22B Ga5B O21B 86.57(16) . . ?
O7B Ga5B N12B 79.33(16) . . ?
O9B Ga5B N12B 101.12(16) . . ?
O22B Ga5B N12B 167.04(16) . . ?
O21B Ga5B N12B 90.41(17) . . ?
O7B Ga5B N15B 101.89(16) . . ?
O9B Ga5B N15B 79.56(16) . . ?
O22B Ga5B N15B 88.65(16) . . ?
O21B Ga5B N15B 167.71(18) . . ?
N12B Ga5B N15B 96.67(17) . . ?
O10B Ga6B O12B 100.99(16) . . ?
O10B Ga6B N14B 78.39(16) . . ?
O12B Ga6B N14B 94.97(16) . . ?
O10B Ga6B N17B 98.62(16) . . ?
O12B Ga6B N17B 77.74(16) . . ?
N14B Ga6B N17B 171.54(17) . . ?
O10B Ga6B N13B 160.39(16) . . ?
O12B Ga6B N13B 89.81(17) . . ?
N14B Ga6B N13B 84.46(17) . . ?
N17B Ga6B N13B 99.65(18) . . ?
O10B Ga6B N16B 87.57(17) . . ?
O12B Ga6B N16B 161.02(17) . . ?
N14B Ga6B N16B 103.38(17) . . ?
N17B Ga6B N16B 84.29(17) . . ?
N13B Ga6B N16B 87.21(18) . . ?
O11B Ga7B O13B 175.38(17) . . ?
O11B Ga7B O23B 90.54(17) . . ?
O13B Ga7B O23B 86.53(17) . . ?
O11B Ga7B O24B 86.92(17) . . ?
O13B Ga7B O24B 89.36(17) . . ?
O23B Ga7B O24B 86.98(18) . . ?
O11B Ga7B N21B 102.65(17) . . ?
O13B Ga7B N21B 79.97(17) . . ?
O23B Ga7B N21B 165.81(17) . . ?
O24B Ga7B N21B 88.52(18) . . ?
O11B Ga7B N18B 79.78(16) . . ?
O13B Ga7B N18B 103.80(17) . . ?
O23B Ga7B N18B 90.78(18) . . ?
O24B Ga7B N18B 166.50(17) . . ?
N21B Ga7B N18B 96.63(18) . . ?
O16B Ga8B O14B 99.99(16) . . ?
O16B Ga8B N23B 78.47(16) . . ?
O14B Ga8B N23B 94.83(16) . . ?
O16B Ga8B N20B 96.30(16) . . ?
O14B Ga8B N20B 78.65(16) . . ?
N23B Ga8B N20B 170.91(17) . . ?
O16B Ga8B N19B 88.07(17) . . ?
O14B Ga8B N19B 163.24(17) . . ?
N23B Ga8B N19B 101.20(17) . . ?
N20B Ga8B N19B 85.92(17) . . ?
O16B Ga8B N22B 161.70(17) . . ?
O14B Ga8B N22B 88.99(17) . . ?
N23B Ga8B N22B 84.95(18) . . ?
N20B Ga8B N22B 101.11(18) . . ?
N19B Ga8B N22B 87.60(18) . . ?
C7B O1B Ga1B 115.5(3) . . ?
C8B O2B Ga2B 114.3(3) . . ?
C20B O3B Ga3B 114.4(3) . . ?
C21B O4B Ga2B 113.3(3) . . ?
C33B O5B Ga3B 113.1(3) . . ?
C34B O6B Ga4B 113.9(4) . . ?
C46B O7B Ga5B 115.7(3) . . ?
C47B O8B Ga4B 113.9(3) . . ?
C59B O9B Ga5B 115.0(3) . . ?
C60B O10B Ga6B 114.0(3) . . ?
C72B O11B Ga7B 115.1(3) . . ?
C73B O12B Ga6B 114.4(3) . . ?
C85B O13B Ga7B 114.0(3) . . ?
C86B O14B Ga8B 113.9(3) . . ?
C98B O15B Ga1B 114.8(3) . . ?
C99B O16B Ga8B 113.8(3) . . ?
C205 O17B Ga1B 124.1(4) . . ?
C206 O21B Ga5B 126.8(5) . . ?
C207 O23B Ga7B 127.7(4) . . ?
C208 O24B Ga7B 126.1(4) . . ?
C1B N1B Ga2B 116.2(3) . . ?
C7B N2B N3B 114.7(4) . . ?
C7B N2B Ga2B 131.4(4) . . ?
N3B N2B Ga2B 113.7(3) . . ?
C8B N3B N2B 110.5(4) . . ?
C8B N3B Ga1B 139.6(4) . . ?
N2B N3B Ga1B 109.7(3) . . ?
C14B N4B Ga2B 119.7(3) . . ?
C20B N5B N6B 113.2(4) . . ?
C20B N5B Ga2B 133.2(4) . . ?
N6B N5B Ga2B 113.3(3) . . ?
C21B N6B N5B 110.7(4) . . ?
C21B N6B Ga3B 138.4(3) . . ?
N5B N6B Ga3B 110.0(3) . . ?
C27B N7B Ga4B 116.8(3) . . ?
C33B N8B N9B 113.7(4) . . ?
C33B N8B Ga4B 132.5(4) . . ?
N9B N8B Ga4B 112.6(3) . . ?
C34B N9B N8B 111.6(4) . . ?
C34B N9B Ga3B 138.1(4) . . ?
N8B N9B Ga3B 109.7(3) . . ?
C40B N10B Ga4B 117.0(4) . . ?
C46B N11B N12B 113.9(4) . . ?
C46B N11B Ga4B 132.1(4) . . ?
N12B N11B Ga4B 114.0(3) . . ?
C47B N12B N11B 110.9(4) . . ?
C47B N12B Ga5B 137.9(4) . . ?
N11B N12B Ga5B 110.6(3) . . ?
C53B N13B Ga6B 117.4(3) . . ?
C59B N14B N15B 113.1(4) . . ?
C59B N14B Ga6B 132.5(4) . . ?
N15B N14B Ga6B 113.9(3) . . ?
C60B N15B N14B 109.7(4) . . ?
C60B N15B Ga5B 140.7(4) . . ?
N14B N15B Ga5B 109.5(3) . . ?
C66B N16B Ga6B 119.0(3) . . ?
C72B N17B N18B 114.1(4) . . ?
C72B N17B Ga6B 133.0(4) . . ?
N18B N17B Ga6B 112.9(3) . . ?
C73B N18B N17B 111.0(4) . . ?
C73B N18B Ga7B 137.7(3) . . ?
N17B N18B Ga7B 109.9(3) . . ?
C79B N19B Ga8B 120.3(3) . . ?
C85B N20B N21B 113.8(4) . . ?
C85B N20B Ga8B 132.7(4) . . ?
N21B N20B Ga8B 113.2(3) . . ?
C86B N21B N20B 111.2(4) . . ?
C86B N21B Ga7B 138.7(4) . . ?
N20B N21B Ga7B 109.6(3) . . ?
C92B N22B Ga8B 116.5(3) . . ?
C98B N23B N24B 113.8(4) . . ?
C98B N23B Ga8B 132.5(4) . . ?
N24B N23B Ga8B 113.6(3) . . ?
C99B N24B N23B 110.7(4) . . ?
C99B N24B Ga1B 138.6(4) . . ?
N23B N24B Ga1B 109.8(3) . . ?
C2B C1B C6B 121.2(5) . . ?
C2B C1B N1B 119.0(5) . . ?
C6B C1B N1B 119.6(5) . . ?
C3B C2B C1B 120.3(6) . . ?
C2B C3B C4B 119.7(5) . . ?
C3B C4B C5B 119.8(5) . . ?
C6B C5B C4B 121.1(6) . . ?
C5B C6B C1B 117.8(5) . . ?
C5B C6B C7B 117.9(5) . . ?
C1B C6B C7B 124.1(5) . . ?
O1B C7B N2B 120.0(5) . . ?
O1B C7B C6B 119.0(4) . . ?
N2B C7B C6B 120.7(5) . . ?
O2B C8B N3B 122.1(5) . . ?
O2B C8B C9B 118.6(5) . . ?
N3B C8B C9B 119.3(5) . . ?
C8B C9B C13B 114.1(5) . . ?
C8B C9B C10B 112.4(5) . . ?
C13B C9B C10B 103.7(5) . . ?
C11B C10B C9B 104.8(6) . . ?
C12B C11B C10B 106.3(7) . . ?
C11B C12B C13B 109.0(6) . . ?
C9B C13B C12B 103.5(6) . . ?
C19B C14B C15B 119.1(5) . . ?
C19B C14B N4B 118.8(5) . . ?
C15B C14B N4B 122.0(5) . . ?
C14B C15B C16B 119.5(5) . . ?
C14B C15B C20B 124.2(5) . . ?
C16B C15B C20B 116.3(5) . . ?
C17B C16B C15B 120.8(5) . . ?
C16B C17B C18B 119.8(5) . . ?
C17B C18B C19B 120.2(5) . . ?
C18B C19B C14B 120.6(5) . . ?
O3B C20B N5B 122.1(5) . . ?
O3B C20B C15B 117.3(5) . . ?
N5B C20B C15B 120.4(5) . . ?
O4B C21B N6B 122.7(5) . . ?
O4B C21B C22B 118.4(5) . . ?
N6B C21B C22B 118.8(5) . . ?
C21B C22B C23B 114.0(5) . . ?
C21B C22B C26B 112.0(4) . . ?
C23B C22B C26B 103.0(5) . . ?
C22B C23B C24B 103.3(6) . . ?
C25B C24B C23B 107.5(5) . . ?
C24B C25B C26B 106.9(6) . . ?
C25B C26B C22B 104.4(5) . . ?
C32B C27B C28B 120.6(6) . . ?
C32B C27B N7B 119.4(5) . . ?
C28B C27B N7B 120.0(5) . . ?
C29B C28B C27B 118.5(5) . . ?
C29B C28B C33B 117.5(5) . . ?
C27B C28B C33B 123.9(5) . . ?
C30B C29B C28B 121.0(6) . . ?
C29B C30B C31B 119.7(7) . . ?
C30B C31B C32B 120.7(6) . . ?
C27B C32B C31B 119.4(6) . . ?
O5B C33B N8B 122.4(5) . . ?
O5B C33B C28B 117.1(5) . . ?
N8B C33B C28B 120.3(5) . . ?
O6B C34B N9B 121.7(5) . . ?
O6B C34B C35B 118.2(5) . . ?
N9B C34B C35B 119.9(5) . . ?
C34B C35B C36B 112.4(6) . . ?
C34B C35B C39B 115.9(6) . . ?
C36B C35B C39B 102.2(6) . . ?
C37B C36B C35B 108.6(7) . . ?
C38B C37B C36B 105.9(7) . . ?
C37B C38B C39B 107.5(7) . . ?
C38B C39B C35B 103.1(7) . . ?
C45B C40B C41B 120.4(6) . . ?
C45B C40B N10B 118.7(5) . . ?
C41B C40B N10B 120.9(5) . . ?
C40B C41B C42B 118.3(5) . . ?
C40B C41B C46B 125.1(5) . . ?
C42B C41B C46B 116.5(5) . . ?
C43B C42B C41B 120.9(6) . . ?
C44B C43B C42B 120.1(6) . . ?
C43B C44B C45B 120.4(6) . . ?
C40B C45B C44B 119.7(6) . . ?
O7B C46B N11B 120.4(5) . . ?
O7B C46B C41B 119.8(5) . . ?
N11B C46B C41B 119.6(5) . . ?
O8B C47B N12B 121.2(5) . . ?
O8B C47B C48B 119.1(5) . . ?
N12B C47B C48B 119.7(5) . . ?
C47B C48B C49B 114.6(5) . . ?
C47B C48B C52B 112.4(4) . . ?
C49B C48B C52B 102.3(4) . . ?
C48B C49B C50B 106.1(5) . . ?
C49B C50B C51B 106.0(5) . . ?
C50B C51B C52B 105.9(5) . . ?
C48B C52B C51B 104.5(5) . . ?
C58B C53B C54B 119.3(5) . . ?
C58B C53B N13B 119.8(5) . . ?
C54B C53B N13B 120.9(5) . . ?
C55B C54B C53B 119.6(5) . . ?
C55B C54B C59B 116.3(5) . . ?
C53B C54B C59B 123.9(5) . . ?
C54B C55B C56B 119.4(6) . . ?
C57B C56B C55B 119.7(6) . . ?
C58B C57B C56B 121.0(6) . . ?
C57B C58B C53B 120.9(6) . . ?
O9B C59B N14B 121.9(5) . . ?
O9B C59B C54B 119.0(5) . . ?
N14B C59B C54B 118.9(5) . . ?
O10B C60B N15B 123.1(5) . . ?
O10B C60B C61B 118.1(4) . . ?
N15B C60B C61B 118.8(5) . . ?
C60B C61B C62B 112.6(5) . . ?
C60B C61B C65B 114.2(5) . . ?
C62B C61B C65B 102.9(5) . . ?
C61B C62B C63B 103.4(5) . . ?
C64B C63B C62B 105.1(5) . . ?
C65B C64B C63B 108.5(5) . . ?
C64B C65B C61B 104.4(5) . . ?
C67B C66B C71B 119.9(5) . . ?
C67B C66B N16B 118.9(5) . . ?
C71B C66B N16B 121.1(5) . . ?
C66B C67B C68B 120.9(5) . . ?
C69B C68B C67B 119.6(5) . . ?
C68B C69B C70B 120.4(5) . . ?
C69B C70B C71B 121.3(5) . . ?
C66B C71B C70B 117.9(5) . . ?
C66B C71B C72B 124.9(5) . . ?
C70B C71B C72B 117.1(5) . . ?
O11B C72B N17B 121.1(5) . . ?
O11B C72B C71B 117.9(5) . . ?
N17B C72B C71B 120.7(5) . . ?
O12B C73B N18B 122.0(5) . . ?
O12B C73B C74B 118.3(5) . . ?
N18B C73B C74B 119.6(5) . . ?
C73B C74B C78B 113.4(5) . . ?
C73B C74B C75B 113.3(5) . . ?
C78B C74B C75B 102.6(5) . . ?
C76B C75B C74B 102.9(5) . . ?
C77B C76B C75B 108.0(6) . . ?
C76B C77B C78B 106.7(6) . . ?
C77B C78B C74B 103.1(6) . . ?
C80B C79B C84B 119.6(5) . . ?
C80B C79B N19B 122.1(5) . . ?
C84B C79B N19B 118.1(5) . . ?
C79B C80B C81B 118.0(5) . . ?
C79B C80B C85B 124.8(5) . . ?
C81B C80B C85B 117.1(5) . . ?
C82B C81B C80B 121.7(6) . . ?
C81B C82B C83B 120.1(6) . . ?
C82B C83B C84B 119.7(6) . . ?
C83B C84B C79B 120.8(6) . . ?
O13B C85B N20B 121.7(5) . . ?
O13B C85B C80B 117.6(5) . . ?
N20B C85B C80B 120.6(5) . . ?
O14B C86B N21B 121.9(5) . . ?
O14B C86B C87B 118.3(5) . . ?
N21B C86B C87B 119.8(5) . . ?
C86B C87B C91B 113.8(5) . . ?
C86B C87B C88B 113.4(5) . . ?
C91B C87B C88B 103.4(5) . . ?
C87B C88B C89B 101.9(6) . . ?
C90B C89B C88B 105.4(6) . . ?
C89B C90B C91B 108.1(6) . . ?
C87B C91B C90B 104.1(5) . . ?
C93B C92B C97B 120.7(5) . . ?
C93B C92B N22B 120.2(5) . . ?
C97B C92B N22B 119.1(5) . . ?
C92B C93B C94B 117.0(6) . . ?
C92B C93B C98B 124.6(5) . . ?
C94B C93B C98B 118.2(6) . . ?
C95B C94B C93B 121.6(7) . . ?
C94B C95B C96B 120.9(7) . . ?
C95B C96B C97B 119.4(7) . . ?
C96B C97B C92B 120.2(7) . . ?
O15B C98B N23B 122.5(5) . . ?
O15B C98B C93B 118.2(5) . . ?
N23B C98B C93B 119.0(5) . . ?
O16B C99B N24B 121.3(5) . . ?
O16B C99B C200 117.5(4) . . ?
N24B C99B C200 121.1(5) . . ?
C99B C200 C201 113.3(5) . . ?
C99B C200 C204 112.2(5) . . ?
C201 C200 C204 102.9(5) . . ?
C200 C201 C202 103.2(5) . . ?
C203 C202 C201 106.4(5) . . ?
C204 C203 C202 106.1(5) . . ?
C203 C204 C200 105.5(5) . . ?
O1C Ga1C O15C 178.45(16) . . ?
O1C Ga1C O17C 86.09(17) . . ?
O15C Ga1C O17C 92.42(17) . . ?
O1C Ga1C O18C 93.00(17) . . ?
O15C Ga1C O18C 86.44(16) . . ?
O17C Ga1C O18C 85.42(16) . . ?
O1C Ga1C N3C 79.42(16) . . ?
O15C Ga1C N3C 102.01(17) . . ?
O17C Ga1C N3C 164.27(17) . . ?
O18C Ga1C N3C 89.23(17) . . ?
O1C Ga1C N24C 100.68(16) . . ?
O15C Ga1C N24C 79.78(15) . . ?
O17C Ga1C N24C 91.64(16) . . ?
O18C Ga1C N24C 165.78(17) . . ?
N3C Ga1C N24C 97.00(17) . . ?
O4C Ga2C O2C 99.05(17) . . ?
O4C Ga2C N2C 96.84(17) . . ?
O2C Ga2C N2C 77.89(17) . . ?
O4C Ga2C N5C 78.47(18) . . ?
O2C Ga2C N5C 94.72(18) . . ?
N2C Ga2C N5C 170.63(18) . . ?
O4C Ga2C N4C 162.36(19) . . ?
O2C Ga2C N4C 89.18(18) . . ?
N2C Ga2C N4C 100.15(19) . . ?
N5C Ga2C N4C 85.4(2) . . ?
O4C Ga2C N1C 88.42(18) . . ?
O2C Ga2C N1C 162.98(19) . . ?
N2C Ga2C N1C 86.09(19) . . ?
N5C Ga2C N1C 101.8(2) . . ?
N4C Ga2C N1C 88.02(19) . . ?
O5C Ga3C O3C 178.2(2) . . ?
O5C Ga3C O19C 87.0(2) . . ?
O3C Ga3C O19C 91.8(2) . . ?
O5C Ga3C O20C 90.4(2) . . ?
O3C Ga3C O20C 88.1(2) . . ?
O19C Ga3C O20C 86.8(2) . . ?
O5C Ga3C N9C 79.7(2) . . ?
O3C Ga3C N9C 101.3(2) . . ?
O19C Ga3C N9C 166.2(2) . . ?
O20C Ga3C N9C 89.4(2) . . ?
O5C Ga3C N6C 101.8(2) . . ?
O3C Ga3C N6C 79.57(19) . . ?
O19C Ga3C N6C 89.6(2) . . ?
O20C Ga3C N6C 167.0(2) . . ?
N9C Ga3C N6C 96.95(19) . . ?
O8C Ga4C O6C 101.31(17) . . ?
O8C Ga4C N8C 97.60(18) . . ?
O6C Ga4C N8C 78.66(19) . . ?
O8C Ga4C N11C 78.26(18) . . ?
O6C Ga4C N11C 96.14(19) . . ?
N8C Ga4C N11C 172.69(19) . . ?
O8C Ga4C N10C 160.43(18) . . ?
O6C Ga4C N10C 88.49(19) . . ?
N8C Ga4C N10C 100.9(2) . . ?
N11C Ga4C N10C 83.9(2) . . ?
O8C Ga4C N7C 87.31(19) . . ?
O6C Ga4C N7C 162.4(2) . . ?
N8C Ga4C N7C 85.0(2) . . ?
N11C Ga4C N7C 100.7(2) . . ?
N10C Ga4C N7C 88.1(2) . . ?
O9C Ga5C O7C 177.98(17) . . ?
O9C Ga5C O21C 86.6(2) . . ?
O7C Ga5C O21C 92.6(2) . . ?
O9C Ga5C O22C 92.72(19) . . ?
O7C Ga5C O22C 85.38(19) . . ?
O21C Ga5C O22C 85.28(18) . . ?
O9C Ga5C N15C 79.39(18) . . ?
O7C Ga5C N15C 101.26(19) . . ?
O21C Ga5C N15C 164.7(2) . . ?
O22C Ga5C N15C 89.22(18) . . ?
O9C Ga5C N12C 102.01(19) . . ?
O7C Ga5C N12C 79.82(19) . . ?
O21C Ga5C N12C 90.21(19) . . ?
O22C Ga5C N12C 164.3(2) . . ?
N15C Ga5C N12C 98.67(18) . . ?
O10C Ga6C O12C 99.00(16) . . ?
O10C Ga6C N17C 98.33(16) . . ?
O12C Ga6C N17C 78.05(15) . . ?
O10C Ga6C N14C 78.62(17) . . ?
O12C Ga6C N14C 93.56(16) . . ?
N17C Ga6C N14C 170.60(17) . . ?
O10C Ga6C N16C 87.54(18) . . ?
O12C Ga6C N16C 164.31(17) . . ?
N17C Ga6C N16C 86.93(17) . . ?
N14C Ga6C N16C 101.74(18) . . ?
O10C Ga6C N13C 161.33(17) . . ?
O12C Ga6C N13C 90.31(16) . . ?
N17C Ga6C N13C 99.42(18) . . ?
N14C Ga6C N13C 84.71(19) . . ?
N16C Ga6C N13C 87.68(18) . . ?
O13C Ga7C O11C 175.16(16) . . ?
O13C Ga7C O24C 89.84(17) . . ?
O11C Ga7C O24C 86.26(16) . . ?
O13C Ga7C O23C 86.36(15) . . ?
O11C Ga7C O23C 90.57(16) . . ?
O24C Ga7C O23C 87.04(17) . . ?
O13C Ga7C N18C 104.67(16) . . ?
O11C Ga7C N18C 79.02(15) . . ?
O24C Ga7C N18C 164.88(16) . . ?
O23C Ga7C N18C 89.65(16) . . ?
O13C Ga7C N21C 79.01(15) . . ?
O11C Ga7C N21C 103.95(15) . . ?
O24C Ga7C N21C 91.81(17) . . ?
O23C Ga7C N21C 165.33(15) . . ?
N18C Ga7C N21C 95.05(16) . . ?
O16C Ga8C O14C 102.41(14) . . ?
O16C Ga8C N23C 78.16(15) . . ?
O14C Ga8C N23C 93.20(15) . . ?
O16C Ga8C N20C 99.77(15) . . ?
O14C Ga8C N20C 77.51(15) . . ?
N23C Ga8C N20C 169.90(16) . . ?
O16C Ga8C N22C 157.67(15) . . ?
O14C Ga8C N22C 91.28(15) . . ?
N23C Ga8C N22C 83.59(17) . . ?
N20C Ga8C N22C 100.38(17) . . ?
O16C Ga8C N19C 87.94(16) . . ?
O14C Ga8C N19C 159.95(16) . . ?
N23C Ga8C N19C 105.82(16) . . ?
N20C Ga8C N19C 83.88(16) . . ?
N22C Ga8C N19C 84.73(16) . . ?
C7C O1C Ga1C 114.9(3) . . ?
C8C O2C Ga2C 114.2(3) . . ?
C20C O3C Ga3C 114.2(4) . . ?
C21C O4C Ga2C 114.7(4) . . ?
C33C O5C Ga3C 115.3(4) . . ?
C34C O6C Ga4C 113.8(4) . . ?
C46C O7C Ga5C 115.0(4) . . ?
C47C O8C Ga4C 113.6(4) . . ?
C59C O9C Ga5C 115.3(4) . . ?
C60C O10C Ga6C 114.3(4) . . ?
C72C O11C Ga7C 115.0(3) . . ?
C73C O12C Ga6C 113.9(3) . . ?
C85C O13C Ga7C 114.9(3) . . ?
C86C O14C Ga8C 114.2(3) . . ?
C98C O15C Ga1C 115.0(3) . . ?
C99C O16C Ga8C 114.4(3) . . ?
C305 O18C Ga1C 126.3(4) . . ?
C306 O19C Ga3C 124.4(7) . . ?
C307 O20C Ga3C 128.3(6) . . ?
C308 O22C Ga5C 123.2(4) . . ?
C309 O23C Ga7C 125.4(4) . . ?
C310 O24C Ga7C 125.6(5) . . ?
C1C N1C Ga2C 117.0(4) . . ?
C7C N2C N3C 112.1(5) . . ?
C7C N2C Ga2C 133.1(4) . . ?
N3C N2C Ga2C 114.7(3) . . ?
C8C N3C N2C 110.1(4) . . ?
C8C N3C Ga1C 138.1(4) . . ?
N2C N3C Ga1C 110.9(3) . . ?
C14C N4C Ga2C 118.9(4) . . ?
C20C N5C N6C 113.1(5) . . ?
C20C N5C Ga2C 133.4(5) . . ?
N6C N5C Ga2C 113.3(3) . . ?
C21C N6C N5C 110.6(5) . . ?
C21C N6C Ga3C 139.2(4) . . ?
N5C N6C Ga3C 109.5(3) . . ?
C27C N7C Ga4C 118.7(4) . . ?
C33C N8C N9C 113.5(5) . . ?
C33C N8C Ga4C 132.7(5) . . ?
N9C N8C Ga4C 113.9(4) . . ?
C34C N9C N8C 110.1(5) . . ?
C34C N9C Ga3C 138.7(4) . . ?
N8C N9C Ga3C 110.2(4) . . ?
C40C N10C Ga4C 118.0(4) . . ?
C46C N11C N12C 114.1(5) . . ?
C46C N11C Ga4C 132.2(5) . . ?
N12C N11C Ga4C 113.5(3) . . ?
C47C N12C N11C 110.4(5) . . ?
C47C N12C Ga5C 139.9(5) . . ?
N11C N12C Ga5C 109.4(3) . . ?
C53C N13C Ga6C 117.2(4) . . ?
C59C N14C N15C 113.4(5) . . ?
C59C N14C Ga6C 131.8(4) . . ?
N15C N14C Ga6C 114.0(3) . . ?
C60C N15C N14C 110.7(4) . . ?
C60C N15C Ga5C 138.0(4) . . ?
N14C N15C Ga5C 110.5(3) . . ?
C66C N16C Ga6C 120.8(3) . . ?
C72C N17C N18C 113.6(4) . . ?
C72C N17C Ga6C 132.6(3) . . ?
N18C N17C Ga6C 113.6(3) . . ?
C73C N18C N17C 111.0(4) . . ?
C73C N18C Ga7C 137.4(3) . . ?
N17C N18C Ga7C 110.6(3) . . ?
C79C N19C Ga8C 117.4(3) . . ?
C85C N20C N21C 113.0(4) . . ?
C85C N20C Ga8C 133.2(3) . . ?
N21C N20C Ga8C 113.8(3) . . ?
C86C N21C N20C 110.0(4) . . ?
C86C N21C Ga7C 138.5(3) . . ?
N20C N21C Ga7C 110.9(3) . . ?
C92C N22C Ga8C 115.8(3) . . ?
C98C N23C N24C 114.2(4) . . ?
C98C N23C Ga8C 131.5(4) . . ?
N24C N23C Ga8C 114.0(3) . . ?
C99C N24C N23C 109.9(4) . . ?
C99C N24C Ga1C 141.2(4) . . ?
N23C N24C Ga1C 108.8(3) . . ?
C2C C1C C6C 120.2(6) . . ?
C2C C1C N1C 120.9(5) . . ?
C6C C1C N1C 118.9(6) . . ?
C1C C2C C3C 119.0(6) . . ?
C1C C2C C7C 124.9(5) . . ?
C3C C2C C7C 115.8(6) . . ?
C4C C3C C2C 120.8(7) . . ?
C3C C4C C5C 119.7(6) . . ?
C6C C5C C4C 119.7(6) . . ?
C5C C6C C1C 120.4(7) . . ?
O1C C7C N2C 122.5(5) . . ?
O1C C7C C2C 118.4(5) . . ?
N2C C7C C2C 118.7(5) . . ?
O2C C8C N3C 121.6(5) . . ?
O2C C8C C9C 118.8(5) . . ?
N3C C8C C9C 119.6(5) . . ?
C8C C9C C10C 112.7(5) . . ?
C8C C9C C13C 113.7(5) . . ?
C10C C9C C13C 104.4(5) . . ?
C9C C10C C11C 102.2(6) . . ?
C12C C11C C10C 107.9(8) . . ?
C13C C12C C11C 103.5(8) . . ?
C12C C13C C9C 104.3(6) . . ?
C15C C14C C19C 121.2(6) . . ?
C15C C14C N4C 120.6(6) . . ?
C19C C14C N4C 118.1(6) . . ?
C14C C15C C16C 117.4(7) . . ?
C14C C15C C20C 125.7(6) . . ?
C16C C15C C20C 116.9(6) . . ?
C17C C16C C15C 121.8(7) . . ?
C16C C17C C18C 120.0(7) . . ?
C17C C18C C19C 120.6(7) . . ?
C18C C19C C14C 119.0(7) . . ?
O3C C20C N5C 123.3(6) . . ?
O3C C20C C15C 117.7(6) . . ?
N5C C20C C15C 118.7(6) . . ?
O4C C21C N6C 121.8(5) . . ?
O4C C21C C22C 118.2(5) . . ?
N6C C21C C22C 120.0(5) . . ?
C21C C22C C23C 113.0(5) . . ?
C21C C22C C26C 113.1(5) . . ?
C23C C22C C26C 102.4(5) . . ?
C22C C23C C24C 104.8(5) . . ?
C23C C24C C25C 105.7(5) . . ?
C26C C25C C24C 105.8(5) . . ?
C25C C26C C22C 104.7(6) . . ?
C28C C27C C32C 120.8(6) . . ?
C28C C27C N7C 120.0(6) . . ?
C32C C27C N7C 119.3(6) . . ?
C27C C28C C29C 117.2(6) . . ?
C27C C28C C33C 125.4(6) . . ?
C29C C28C C33C 117.3(6) . . ?
C30C C29C C28C 121.8(6) . . ?
C31C C30C C29C 119.5(6) . . ?
C30C C31C C32C 120.1(7) . . ?
C27C C32C C31C 120.5(7) . . ?
O5C C33C N8C 121.3(6) . . ?
O5C C33C C28C 118.6(6) . . ?
N8C C33C C28C 119.7(6) . . ?
O6C C34C N9C 121.6(6) . . ?
O6C C34C C35C 119.9(6) . . ?
N9C C34C C35C 118.4(6) . . ?
C34C C35C C39C 113.4(8) . . ?
C34C C35C C36C 108.3(7) . . ?
C39C C35C C36C 102.7(11) . . ?
C37C C36C C35C 102.7(12) . . ?
C38C C37C C36C 108.9(13) . . ?
C37C C38C C39C 107.3(12) . . ?
C35C C39C C38C 101.2(12) . . ?
C45C C40C C41C 120.4(7) . . ?
C45C C40C N10C 119.8(6) . . ?
C41C C40C N10C 119.8(6) . . ?
C40C C41C C42C 116.2(7) . . ?
C40C C41C C46C 124.6(6) . . ?
C42C C41C C46C 119.0(7) . . ?
C43C C42C C41C 123.1(8) . . ?
C42C C43C C44C 119.3(8) . . ?
C43C C44C C45C 120.3(8) . . ?
C44C C45C C40C 120.5(8) . . ?
O7C C46C N11C 121.1(6) . . ?
O7C C46C C41C 118.5(6) . . ?
N11C C46C C41C 120.3(6) . . ?
O8C C47C N12C 121.9(6) . . ?
O8C C47C C48C 119.0(5) . . ?
N12C C47C C48C 119.1(6) . . ?
C47C C48C C52C 113.7(5) . . ?
C47C C48C C49C 111.0(6) . . ?
C52C C48C C49C 102.0(5) . . ?
C50C C49C C48C 104.9(6) . . ?
C49C C50C C51C 105.9(7) . . ?
C50C C51C C52C 108.5(6) . . ?
C51C C52C C48C 102.4(6) . . ?
C58C C53C C54C 119.9(6) . . ?
C58C C53C N13C 119.9(6) . . ?
C54C C53C N13C 120.2(5) . . ?
C53C C54C C55C 118.4(6) . . ?
C53C C54C C59C 124.4(5) . . ?
C55C C54C C59C 117.0(6) . . ?
C56C C55C C54C 120.8(7) . . ?
C57C C56C C55C 120.5(6) . . ?
C56C C57C C58C 119.6(7) . . ?
C53C C58C C57C 120.7(7) . . ?
O9C C59C N14C 121.1(6) . . ?
O9C C59C C54C 118.5(5) . . ?
N14C C59C C54C 120.1(5) . . ?
O10C C60C N15C 121.6(5) . . ?
O10C C60C C61C 118.1(5) . . ?
N15C C60C C61C 120.3(5) . . ?
C60C C61C C65C 114.1(5) . . ?
C60C C61C C62C 113.4(5) . . ?
C65C C61C C62C 102.3(5) . . ?
C63C C62C C61C 103.8(5) . . ?
C62C C63C C64C 106.6(6) . . ?
C65C C64C C63C 106.4(5) . . ?
C64C C65C C61C 106.1(6) . . ?
C67C C66C C71C 118.5(6) . . ?
C67C C66C N16C 122.3(5) . . ?
C71C C66C N16C 119.0(5) . . ?
C66C C67C C68C 119.2(5) . . ?
C66C C67C C72C 124.9(5) . . ?
C68C C67C C72C 115.9(5) . . ?
C69C C68C C67C 119.9(6) . . ?
C70C C69C C68C 120.9(7) . . ?
C71C C70C C69C 119.3(7) . . ?
C70C C71C C66C 122.2(7) . . ?
O11C C72C N17C 121.4(4) . . ?
O11C C72C C67C 117.8(5) . . ?
N17C C72C C67C 120.7(5) . . ?
O12C C73C N18C 122.0(4) . . ?
O12C C73C C74C 118.5(5) . . ?
N18C C73C C74C 119.5(5) . . ?
C73C C74C C75C 113.3(4) . . ?
C73C C74C C78C 113.1(5) . . ?
C75C C74C C78C 102.9(4) . . ?
C74C C75C C76C 103.9(5) . . ?
C77C C76C C75C 105.6(5) . . ?
C78C C77C C76C 107.0(5) . . ?
C77C C78C C74C 103.5(5) . . ?
C84C C79C C80C 120.4(5) . . ?
C84C C79C N19C 119.9(4) . . ?
C80C C79C N19C 119.7(4) . . ?
C79C C80C C81C 118.5(4) . . ?
C79C C80C C85C 124.7(4) . . ?
C81C C80C C85C 116.6(4) . . ?
C82C C81C C80C 120.6(5) . . ?
C81C C82C C83C 119.7(5) . . ?
C84C C83C C82C 120.2(5) . . ?
C79C C84C C83C 120.7(5) . . ?
O13C C85C N20C 122.1(4) . . ?
O13C C85C C80C 118.5(4) . . ?
N20C C85C C80C 119.2(4) . . ?
O14C C86C N21C 122.1(4) . . ?
O14C C86C C87C 118.8(4) . . ?
N21C C86C C87C 119.1(4) . . ?
C86C C87C C91C 114.1(5) . . ?
C86C C87C C88C 112.0(4) . . ?
C91C C87C C88C 102.8(5) . . ?
C89C C88C C87C 104.3(5) . . ?
C88C C89C C90C 106.0(5) . . ?
C91C C90C C89C 105.8(4) . . ?
C87C C91C C90C 103.6(5) . . ?
C93C C92C C97C 120.2(5) . . ?
C93C C92C N22C 120.4(5) . . ?
C97C C92C N22C 119.3(5) . . ?
C92C C93C C94C 119.5(5) . . ?
C92C C93C C98C 123.8(5) . . ?
C94C C93C C98C 116.5(5) . . ?
C95C C94C C93C 119.7(5) . . ?
C96C C95C C94C 120.5(5) . . ?
C95C C96C C97C 120.2(5) . . ?
C96C C97C C92C 119.8(5) . . ?
O15C C98C N23C 121.4(5) . . ?
O15C C98C C93C 119.0(4) . . ?
N23C C98C C93C 119.4(4) . . ?
O16C C99C N24C 122.4(5) . . ?
O16C C99C C300 118.3(4) . . ?
N24C C99C C300 119.3(5) . . ?
C99C C300 C304 114.1(4) . . ?
C99C C300 C301 112.5(5) . . ?
C304 C300 C301 102.2(4) . . ?
C302 C301 C300 105.6(5) . . ?
C301 C302 C303 106.2(5) . . ?
C304 C303 C302 106.6(5) . . ?
C300 C304 C303 104.7(5) . . ?
O1D Ga1D O1D 173.2(2) . 2_655 ?
O1D Ga1D O9D 92.01(17) . . ?
O1D Ga1D O9D 82.86(16) 2_655 . ?
O1D Ga1D O9D 82.85(16) . 2_655 ?
O1D Ga1D O9D 92.00(17) 2_655 2_655 ?
O9D Ga1D O9D 81.8(2) . 2_655 ?
O1D Ga1D N3D 79.52(16) . . ?
O1D Ga1D N3D 105.37(17) 2_655 . ?
O9D Ga1D N3D 96.26(17) . . ?
O9D Ga1D N3D 162.20(17) 2_655 . ?
O1D Ga1D N3D 105.37(17) . 2_655 ?
O1D Ga1D N3D 79.51(16) 2_655 2_655 ?
O9D Ga1D N3D 162.19(17) . 2_655 ?
O9D Ga1D N3D 96.25(17) 2_655 2_655 ?
N3D Ga1D N3D 90.8(2) . 2_655 ?
O4D Ga2D O2D 100.11(17) . . ?
O4D Ga2D N2D 100.15(16) . . ?
O2D Ga2D N2D 79.01(16) . . ?
O4D Ga2D N5D 78.43(16) . . ?
O2D Ga2D N5D 93.12(16) . . ?
N2D Ga2D N5D 171.68(17) . . ?
O4D Ga2D N1D 87.35(17) . . ?
O2D Ga2D N1D 166.05(16) . . ?
N2D Ga2D N1D 88.13(17) . . ?
N5D Ga2D N1D 99.95(16) . . ?
O4D Ga2D N4D 160.84(16) . . ?
O2D Ga2D N4D 88.94(16) . . ?
N2D Ga2D N4D 98.13(17) . . ?
N5D Ga2D N4D 84.28(17) . . ?
N1D Ga2D N4D 87.56(16) . . ?
O5D Ga3D O3D 178.24(15) . . ?
O5D Ga3D O12D 82.91(16) . . ?
O3D Ga3D O12D 95.33(16) . . ?
O5D Ga3D O13D 96.42(15) . . ?
O3D Ga3D O13D 83.53(15) . . ?
O12D Ga3D O13D 84.10(15) . . ?
O5D Ga3D N9D 79.49(15) . . ?
O3D Ga3D N9D 102.27(15) . . ?
O12D Ga3D N9D 160.29(17) . . ?
O13D Ga3D N9D 89.08(15) . . ?
O5D Ga3D N6D 100.69(16) . . ?
O3D Ga3D N6D 79.15(15) . . ?
O12D Ga3D N6D 91.26(16) . . ?
O13D Ga3D N6D 161.58(16) . . ?
N9D Ga3D N6D 100.64(16) . . ?
O8D Ga4D O6D 101.50(15) . . ?
O8D Ga4D N8D 95.22(16) . . ?
O6D Ga4D N8D 78.52(16) . . ?
O8D Ga4D N11D 78.39(16) . . ?
O6D Ga4D N11D 96.55(16) . . ?
N8D Ga4D N11D 171.11(17) . . ?
O8D Ga4D N10D 162.41(17) . . ?
O6D Ga4D N10D 87.32(17) . . ?
N8D Ga4D N10D 101.49(17) . . ?
N11D Ga4D N10D 85.55(18) . . ?
O8D Ga4D N7D 89.63(17) . . ?
O6D Ga4D N7D 159.98(16) . . ?
N8D Ga4D N7D 83.99(17) . . ?
N11D Ga4D N7D 102.00(17) . . ?
N10D Ga4D N7D 86.70(18) . . ?
O7D Ga5D O7D 177.0(2) . 2_655 ?
O7D Ga5D O14D 93.32(16) . . ?
O7D Ga5D O14D 84.41(16) 2_655 . ?
O7D Ga5D O14D 84.41(16) . 2_655 ?
O7D Ga5D O14D 93.32(16) 2_655 2_655 ?
O14D Ga5D O14D 84.2(3) . 2_655 ?
O7D Ga5D N12D 102.31(16) . 2_655 ?
O7D Ga5D N12D 79.73(15) 2_655 2_655 ?
O14D Ga5D N12D 163.09(16) . 2_655 ?
O14D Ga5D N12D 90.88(18) 2_655 2_655 ?
O7D Ga5D N12D 79.73(15) . . ?
O7D Ga5D N12D 102.31(16) 2_655 . ?
O14D Ga5D N12D 90.87(18) . . ?
O14D Ga5D N12D 163.09(16) 2_655 . ?
N12D Ga5D N12D 98.2(2) 2_655 . ?
C7D O1D Ga1D 115.3(3) . . ?
C8D O2D Ga2D 113.5(3) . . ?
C20D O3D Ga3D 115.3(3) . . ?
C21D O4D Ga2D 113.9(3) . . ?
C33D O5D Ga3D 115.8(3) . . ?
C34D O6D Ga4D 114.0(3) . . ?
C46D O7D Ga5D 114.7(3) . . ?
C47D O8D Ga4D 114.1(3) . . ?
N13D O9D Ga1D 130.0(4) . . ?
C53D O12D Ga3D 119.7(4) . . ?
C54D O13D Ga3D 120.1(4) . . ?
C55D O14D Ga5D 125.8(5) . . ?
C1D N1D Ga2D 120.3(3) . . ?
C7D N2D N3D 113.8(4) . . ?
C7D N2D Ga2D 132.9(4) . . ?
N3D N2D Ga2D 113.2(3) . . ?
C8D N3D N2D 111.5(4) . . ?
C8D N3D Ga1D 138.0(4) . . ?
N2D N3D Ga1D 110.3(3) . . ?
C14D N4D Ga2D 116.7(3) . . ?
C20D N5D N6D 114.1(4) . . ?
C20D N5D Ga2D 131.9(4) . . ?
N6D N5D Ga2D 113.5(3) . . ?
C21D N6D N5D 111.1(4) . . ?
C21D N6D Ga3D 138.1(4) . . ?
N5D N6D Ga3D 110.0(3) . . ?
C27D N7D Ga4D 116.4(3) . . ?
C33D N8D N9D 114.1(4) . . ?
C33D N8D Ga4D 131.9(4) . . ?
N9D N8D Ga4D 113.4(3) . . ?
C34D N9D N8D 110.8(4) . . ?
C34D N9D Ga3D 138.5(4) . . ?
N8D N9D Ga3D 109.8(3) . . ?
C40D N10D Ga4D 118.1(3) . . ?
C46D N11D N12D 113.7(4) . . ?
C46D N11D Ga4D 132.7(3) . . ?
N12D N11D Ga4D 113.3(3) . . ?
C47D N12D N11D 111.5(4) . . ?
C47D N12D Ga5D 138.4(3) . . ?
N11D N12D Ga5D 109.5(3) . . ?
O10D N13D O9D 124.8(6) . . ?
O10D N13D O11D 118.4(5) . . ?
O9D N13D O11D 116.2(5) . . ?
C6D C1D C2D 120.5(5) . . ?
C6D C1D N1D 117.6(4) . . ?
C2D C1D N1D 121.6(5) . . ?
C3D C2D C1D 117.9(5) . . ?
C3D C2D C7D 116.8(5) . . ?
C1D C2D C7D 125.3(5) . . ?
C4D C3D C2D 121.0(5) . . ?
C3D C4D C5D 120.1(5) . . ?
C6D C5D C4D 120.3(5) . . ?
C5D C6D C1D 120.1(5) . . ?
O1D C7D N2D 121.1(5) . . ?
O1D C7D C2D 117.5(5) . . ?
N2D C7D C2D 121.3(5) . . ?
O2D C8D N3D 121.3(5) . . ?
O2D C8D C9D 120.6(5) . . ?
N3D C8D C9D 118.0(5) . . ?
C713 C9D C8D 118.6(11) . . ?
C713 C9D C13D 50.4(14) . . ?
C8D C9D C13D 114.4(5) . . ?
C713 C9D C10D 50.6(15) . . ?
C8D C9D C10D 110.3(7) . . ?
C13D C9D C10D 100.1(7) . . ?
C713 C9D C710 103.1(17) . . ?
C8D C9D C710 100.6(9) . . ?
C13D C9D C710 53.7(10) . . ?
C10D C9D C710 146.4(9) . . ?
C11D C10D C9D 103.2(9) . . ?
C12D C11D C10D 104.1(7) . . ?
C11D C12D C13D 110.1(8) . . ?
C9D C13D C12D 101.3(7) . . ?
C711 C710 C9D 100.4(19) . . ?
C19D C14D C15D 121.1(5) . . ?
C19D C14D N4D 118.7(5) . . ?
C15D C14D N4D 120.2(5) . . ?
C14D C15D C16D 118.3(5) . . ?
C14D C15D C20D 124.5(5) . . ?
C16D C15D C20D 117.0(5) . . ?
C17D C16D C15D 120.6(6) . . ?
C16D C17D C18D 120.3(6) . . ?
C19D C18D C17D 119.6(6) . . ?
C18D C19D C14D 120.1(6) . . ?
O3D C20D N5D 120.8(5) . . ?
O3D C20D C15D 118.7(4) . . ?
N5D C20D C15D 120.3(5) . . ?
O4D C21D N6D 121.1(5) . . ?
O4D C21D C22D 118.0(4) . . ?
N6D C21D C22D 120.8(5) . . ?
C21D C22D C24D 113.4(6) . . ?
C21D C22D C23D 111.5(5) . . ?
C24D C22D C23D 103.8(5) . . ?
C26D C23D C22D 108.1(6) . . ?
C22D C24D C25D 102.0(7) . . ?
C26D C25D C24D 108.3(7) . . ?
C23D C26D C25D 105.8(7) . . ?
C32D C27D C28D 120.5(6) . . ?
C32D C27D N7D 119.5(5) . . ?
C28D C27D N7D 120.0(5) . . ?
C29D C28D C27D 118.5(5) . . ?
C29D C28D C33D 117.4(5) . . ?
C27D C28D C33D 123.9(5) . . ?
C30D C29D C28D 120.5(6) . . ?
C31D C30D C29D 120.0(6) . . ?
C32D C31D C30D 120.3(6) . . ?
C31D C32D C27D 120.1(6) . . ?
O5D C33D N8D 120.6(5) . . ?
O5D C33D C28D 118.2(5) . . ?
N8D C33D C28D 120.9(5) . . ?
O6D C34D N9D 122.2(5) . . ?
O6D C34D C35D 119.1(4) . . ?
N9D C34D C35D 118.7(5) . . ?
C34D C35D C39D 112.7(4) . . ?
C34D C35D C36D 113.3(5) . . ?
C39D C35D C36D 102.7(4) . . ?
C37D C36D C35D 105.6(5) . . ?
C36D C37D C38D 107.1(5) . . ?
C37D C38D C39D 105.9(5) . . ?
C35D C39D C38D 103.8(4) . . ?
C45D C40D C41D 120.1(5) . . ?
C45D C40D N10D 118.3(5) . . ?
C41D C40D N10D 121.5(5) . . ?
C42D C41D C40D 118.4(5) . . ?
C42D C41D C46D 116.9(5) . . ?
C40D C41D C46D 124.6(5) . . ?
C41D C42D C43D 121.3(5) . . ?
C42D C43D C44D 119.3(6) . . ?
C45D C44D C43D 119.5(5) . . ?
C44D C45D C40D 121.3(5) . . ?
O7D C46D N11D 121.9(5) . . ?
O7D C46D C41D 117.4(5) . . ?
N11D C46D C41D 120.5(5) . . ?
O8D C47D N12D 121.5(5) . . ?
O8D C47D C48D 118.0(5) . . ?
N12D C47D C48D 120.5(5) . . ?
C47D C48D C52D 113.0(5) . . ?
C47D C48D C49D 114.5(4) . . ?
C52D C48D C49D 102.4(5) . . ?
C48D C49D C50D 104.0(5) . . ?
C51D C50D C49D 104.8(5) . . ?
C52D C51D C50D 107.3(5) . . ?
C51D C52D C48D 105.1(5) . . ?
O1N N1N O3N 117.7(8) . . ?
O1N N1N O2N 120.4(7) . . ?
O3N N1N O2N 121.8(7) . . ?
O5N N2N O6N 122.5(5) . . ?
O5N N2N O4N 119.5(5) . . ?
O6N N2N O4N 118.0(5) . . ?
O8N N3N O7N 121.1(5) . . ?
O8N N3N O9N 120.1(5) . . ?
O7N N3N O9N 118.7(5) . . ?
O12N N4N O11N 120.7(4) . . ?
O12N N4N O10N 121.1(5) . . ?
O11N N4N O10N 118.2(5) . . ?
O15N N5N O14N 122.1(7) . . ?
O15N N5N O13N 120.9(8) . . ?
O14N N5N O13N 116.9(7) . . ?
O16N N6N O17N 120.3(5) . . ?
O16N N6N O18N 120.3(5) . . ?
O17N N6N O18N 119.3(5) . . ?
O20N N7N O19N 123.3(5) . . ?
O20N N7N O21N 119.9(5) . . ?
O19N N7N O21N 116.8(5) . . ?
O22N N8N O24N 121.5(4) . . ?
O22N N8N O23N 121.3(4) . . ?
O24N N8N O23N 117.2(4) . . ?
O25N N9N O27N 121.8(7) . . ?
O25N N9N O26N 119.9(6) . . ?
O27N N9N O26N 118.3(6) . . ?
O29N N10N O30N 120.7(8) . . ?
O29N N10N O28N 122.1(8) . . ?
O30N N10N O28N 117.0(8) . . ?
O31N N11N O33N 121.7(4) . . ?
O31N N11N O32N 121.0(5) . . ?
O33N N11N O32N 117.3(5) . . ?
O36N N12N O34N 115(2) . . ?
O36N N12N O35N 133(2) . . ?
O34N N12N O35N 111.5(15) . . ?
O37N N13N O39N 121.5(6) . . ?
O37N N13N O38N 120.6(6) . . ?
O39N N13N O38N 117.8(6) . . ?
O41N N14N O42N 121.7(5) . . ?
O41N N14N O40N 118.6(5) . . ?
O42N N14N O40N 119.7(5) . . ?
O44N N15N O43N 120.5(5) . . ?
O44N N15N O45N 119.3(5) . . ?
O43N N15N O45N 120.2(5) . . ?
O46N N16N O47N 123.3(7) . . ?
O46N N16N O48N 117.5(7) . . ?
O47N N16N O48N 119.1(6) . . ?
O50N N17N O51N 123.6(5) . . ?
O50N N17N O49N 118.3(5) . . ?
O51N N17N O49N 118.1(5) . . ?
O52N N18N O53N 121.1(4) . . ?
O52N N18N O54N 119.7(4) . . ?
O53N N18N O54N 119.2(4) . . ?
O57N N19N O55N 121.1(7) . . ?
O57N N19N O56N 120.0(6) . . ?
O55N N19N O56N 118.9(6) . . ?
O59N N20N O60N 118.4(10) . . ?
O59N N20N O58N 117.6(12) . . ?
O60N N20N O58N 123.9(10) . . ?
O62N N21N O63N 121.1(4) . . ?
O62N N21N O61N 120.8(4) . . ?
O63N N21N O61N 118.1(4) . . ?
O65N N22N O66N 121.7(4) . . ?
O65N N22N O64N 120.5(5) . . ?
O66N N22N O64N 117.9(5) . . ?
O69N N23N O68N 123.7(12) . . ?
O69N N23N O67N 112.4(10) . . ?
O68N N23N O67N 123.3(9) . . ?
O72N N24N O70N 118.1(5) . . ?
O72N N24N O71N 121.1(6) . . ?
O70N N24N O71N 120.8(5) . . ?
O74N N25N O73N 120.9(4) . . ?
O74N N25N O75N 119.5(5) . . ?
O73N N25N O75N 119.6(5) . . ?
O77N N26N O76N 89.2(10) . . ?
O81N N27N O80N 105.7(19) . . ?
O81N N27N O79N 119(2) . . ?
O80N N27N O79N 127.2(15) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1A O15A 1.948(4) . ?
Ga1A O1A 1.963(4) . ?
Ga1A O17A 1.990(4) . ?
Ga1A O18A 2.013(4) . ?
Ga1A N3A 2.024(5) . ?
Ga1A N24A 2.028(4) . ?
Ga2A O4A 1.963(4) . ?
Ga2A O2A 1.975(4) . ?
Ga2A N5A 1.988(5) . ?
Ga2A N2A 2.000(5) . ?
Ga2A N4A 2.057(5) . ?
Ga2A N1A 2.101(5) . ?
Ga3A O5A 1.926(5) . ?
Ga3A O3A 1.931(5) . ?
Ga3A O20A 1.974(5) . ?
Ga3A O19A 2.028(5) . ?
Ga3A N6A 2.061(5) . ?
Ga3A N9A 2.066(5) . ?
Ga4A O8A 1.966(4) . ?
Ga4A O6A 1.984(4) . ?
Ga4A N11A 1.990(5) . ?
Ga4A N8A 1.996(5) . ?
Ga4A N10A 2.074(5) . ?
Ga4A N7A 2.086(5) . ?
Ga5A O7A 1.947(4) . ?
Ga5A O9A 1.958(4) . ?
Ga5A O21A 1.971(4) . ?
Ga5A O22A 2.019(4) . ?
Ga5A N12A 2.054(5) . ?
Ga5A N15A 2.063(5) . ?
Ga6A O12A 1.972(3) . ?
Ga6A O10A 1.975(4) . ?
Ga6A N14A 1.998(4) . ?
Ga6A N17A 2.009(4) . ?
Ga6A N16A 2.079(4) . ?
Ga6A N13A 2.101(4) . ?
Ga7A O13A 1.928(4) . ?
Ga7A O11A 1.940(4) . ?
Ga7A O23A 1.998(4) . ?
Ga7A O24A 2.025(4) . ?
Ga7A N21A 2.043(4) . ?
Ga7A N18A 2.070(4) . ?
Ga8A O14A 1.966(3) . ?
Ga8A O16A 1.981(4) . ?
Ga8A N23A 1.988(4) . ?
Ga8A N20A 2.001(4) . ?
Ga8A N19A 2.088(4) . ?
Ga8A N22A 2.108(4) . ?
O1A C7A 1.285(7) . ?
O2A C8A 1.281(7) . ?
O3A C20A 1.314(7) . ?
O4A C21A 1.284(7) . ?
O5A C33A 1.297(7) . ?
O6A C34A 1.274(7) . ?
O7A C46A 1.279(7) . ?
O8A C47A 1.283(7) . ?
O9A C59A 1.288(7) . ?
O10A C60A 1.286(6) . ?
O11A C72A 1.292(6) . ?
O12A C73A 1.286(6) . ?
O13A C85A 1.289(6) . ?
O14A C86A 1.286(6) . ?
O15A C98A 1.282(6) . ?
O16A C99A 1.282(6) . ?
O17A C105 1.403(10) . ?
O18A C106 1.459(7) . ?
O19A C107 1.400(10) . ?
O22A C108 1.481(8) . ?
O23A C109 1.456(9) . ?
O24A C110 1.456(8) . ?
N1A C1A 1.435(9) . ?
N2A C7A 1.301(7) . ?
N2A N3A 1.413(6) . ?
N3A C8A 1.319(7) . ?
N4A C14A 1.450(9) . ?
N5A C20A 1.298(8) . ?
N5A N6A 1.424(7) . ?
N6A C21A 1.322(8) . ?
N7A C27A 1.454(8) . ?
N8A C33A 1.326(8) . ?
N8A N9A 1.411(7) . ?
N9A C34A 1.314(8) . ?
N10A C40A 1.446(8) . ?
N11A C46A 1.323(7) . ?
N11A N12A 1.397(7) . ?
N12A C47A 1.328(7) . ?
N13A C53A 1.452(7) . ?
N14A C59A 1.320(7) . ?
N14A N15A 1.415(6) . ?
N15A C60A 1.316(7) . ?
N16A C66A 1.453(7) . ?
N17A C72A 1.314(7) . ?
N17A N18A 1.421(5) . ?
N18A C73A 1.333(7) . ?
N19A C79A 1.453(6) . ?
N20A C85A 1.312(6) . ?
N20A N21A 1.408(5) . ?
N21A C86A 1.329(7) . ?
N22A C92A 1.448(6) . ?
N23A C98A 1.316(6) . ?
N23A N24A 1.428(6) . ?
N24A C99A 1.326(7) . ?
C1A C6A 1.393(9) . ?
C1A C2A 1.401(9) . ?
C2A C3A 1.393(10) . ?
C2A C7A 1.485(8) . ?
C3A C4A 1.392(9) . ?
C4A C5A 1.376(12) . ?
C5A C6A 1.360(12) . ?
C8A C9A 1.500(8) . ?
C9A C10A 1.536(10) . ?
C9A C13A 1.544(11) . ?
C10A C11A 1.507(11) . ?
C11A C12A 1.463(14) . ?
C12A C13A 1.505(12) . ?
C14A C19A 1.385(10) . ?
C14A C15A 1.406(9) . ?
C15A C16A 1.401(10) . ?
C15A C20A 1.484(9) . ?
C16A C17A 1.420(11) . ?
C17A C18A 1.390(12) . ?
C18A C19A 1.378(11) . ?
C21A C22A 1.472(9) . ?
C22A C26A 1.528(10) . ?
C22A C23A 1.545(10) . ?
C23A C24A 1.599(16) . ?
C24A C25A 1.518(19) . ?
C25A C26A 1.702(15) . ?
C424 C425 1.53(2) . ?
C27A C28A 1.367(9) . ?
C27A C32A 1.394(10) . ?
C28A C29A 1.427(9) . ?
C28A C33A 1.479(10) . ?
C29A C30A 1.344(11) . ?
C30A C31A 1.393(11) . ?
C31A C32A 1.370(11) . ?
C34A C35A 1.499(10) . ?
C35A C36A 1.535(10) . ?
C35A C39A 1.538(10) . ?
C36A C37A 1.561(11) . ?
C37A C38A 1.552(12) . ?
C38A C39A 1.523(10) . ?
C40A C41A 1.392(9) . ?
C40A C45A 1.393(10) . ?
C41A C42A 1.413(9) . ?
C41A C46A 1.488(9) . ?
C42A C43A 1.376(10) . ?
C43A C44A 1.368(11) . ?
C44A C45A 1.376(11) . ?
C47A C48A 1.479(9) . ?
C48A C49A 1.511(11) . ?
C48A C52A 1.521(9) . ?
C49A C50A 1.526(10) . ?
C50A C51A 1.499(12) . ?
C51A C52A 1.541(11) . ?
C53A C58A 1.374(8) . ?
C53A C54A 1.408(8) . ?
C54A C55A 1.396(8) . ?
C54A C59A 1.466(8) . ?
C55A C56A 1.386(9) . ?
C56A C57A 1.355(10) . ?
C57A C58A 1.401(8) . ?
C60A C61A 1.491(8) . ?
C61A C65A 1.524(10) . ?
C61A C62A 1.526(9) . ?
C62A C63A 1.525(10) . ?
C63A C64A 1.508(11) . ?
C64A C65A 1.516(11) . ?
C66A C71A 1.373(7) . ?
C66A C67A 1.414(7) . ?
C67A C68A 1.398(7) . ?
C67A C72A 1.474(7) . ?
C68A C69A 1.370(8) . ?
C69A C70A 1.388(9) . ?
C70A C71A 1.382(8) . ?
C73A C74A 1.496(7) . ?
C74A C75A 1.527(8) . ?
C74A C78A 1.529(8) . ?
C75A C76A 1.534(8) . ?
C76A C77A 1.504(10) . ?
C77A C78A 1.546(8) . ?
C79A C84A 1.370(7) . ?
C79A C80A 1.388(7) . ?
C80A C81A 1.412(7) . ?
C80A C85A 1.482(7) . ?
C81A C82A 1.375(7) . ?
C82A C83A 1.386(8) . ?
C83A C84A 1.399(7) . ?
C86A C87A 1.490(7) . ?
C87A C88A 1.527(8) . ?
C87A C91A 1.549(8) . ?
C88A C89A 1.524(9) . ?
C89A C90A 1.525(12) . ?
C90A C91A 1.521(9) . ?
C92A C97A 1.380(7) . ?
C92A C93A 1.388(7) . ?
C93A C94A 1.401(7) . ?
C93A C98A 1.481(7) . ?
C94A C95A 1.382(8) . ?
C95A C96A 1.382(8) . ?
C96A C97A 1.388(8) . ?
C99A C100 1.494(8) . ?
C100 C104 1.468(15) . ?
C100 C101 1.704(15) . ?
C101 C102 1.481(18) . ?
C102 C103 1.67(2) . ?
C103 C104 1.458(17) . ?
C401 C402 1.485(18) . ?
Ga1B O1B 1.936(4) . ?
Ga1B O15B 1.961(4) . ?
Ga1B O18B 1.982(4) . ?
Ga1B O17B 1.999(4) . ?
Ga1B N3B 2.049(4) . ?
Ga1B N24B 2.076(4) . ?
Ga2B O2B 1.966(4) . ?
Ga2B O4B 1.985(3) . ?
Ga2B N5B 2.006(4) . ?
Ga2B N2B 2.010(4) . ?
Ga2B N1B 2.089(4) . ?
Ga2B N4B 2.106(4) . ?
Ga3B O3B 1.941(4) . ?
Ga3B O5B 1.961(4) . ?
Ga3B O19B 1.987(4) . ?
Ga3B O20B 2.015(4) . ?
Ga3B N6B 2.040(4) . ?
Ga3B N9B 2.054(5) . ?
Ga4B O6B 1.954(4) . ?
Ga4B O8B 1.983(4) . ?
Ga4B N11B 1.988(4) . ?
Ga4B N8B 1.996(4) . ?
Ga4B N7B 2.087(5) . ?
Ga4B N10B 2.117(5) . ?
Ga5B O7B 1.940(4) . ?
Ga5B O9B 1.940(4) . ?
Ga5B O22B 1.965(4) . ?
Ga5B O21B 2.012(4) . ?
Ga5B N12B 2.063(4) . ?
Ga5B N15B 2.070(4) . ?
Ga6B O10B 1.954(4) . ?
Ga6B O12B 1.981(3) . ?
Ga6B N14B 2.005(4) . ?
Ga6B N17B 2.029(4) . ?
Ga6B N13B 2.060(4) . ?
Ga6B N16B 2.128(4) . ?
Ga7B O11B 1.934(4) . ?
Ga7B O13B 1.948(4) . ?
Ga7B O23B 1.989(4) . ?
Ga7B O24B 2.031(4) . ?
Ga7B N21B 2.045(4) . ?
Ga7B N18B 2.054(4) . ?
Ga8B O16B 1.959(4) . ?
Ga8B O14B 1.975(3) . ?
Ga8B N23B 1.993(4) . ?
Ga8B N20B 1.999(4) . ?
Ga8B N19B 2.075(4) . ?
Ga8B N22B 2.090(4) . ?
O1B C7B 1.296(6) . ?
O2B C8B 1.284(6) . ?
O3B C20B 1.285(6) . ?
O4B C21B 1.288(6) . ?
O5B C33B 1.293(6) . ?
O6B C34B 1.280(6) . ?
O7B C46B 1.295(7) . ?
O8B C47B 1.275(6) . ?
O9B C59B 1.281(6) . ?
O10B C60B 1.285(6) . ?
O11B C72B 1.299(6) . ?
O12B C73B 1.281(6) . ?
O13B C85B 1.287(6) . ?
O14B C86B 1.278(6) . ?
O15B C98B 1.267(7) . ?
O16B C99B 1.287(6) . ?
O17B C205 1.447(8) . ?
O21B C206 1.430(11) . ?
O23B C207 1.440(7) . ?
O24B C208 1.405(9) . ?
N1B C1B 1.458(7) . ?
N2B C7B 1.314(6) . ?
N2B N3B 1.410(6) . ?
N3B C8B 1.332(7) . ?
N4B C14B 1.431(7) . ?
N5B C20B 1.305(7) . ?
N5B N6B 1.423(6) . ?
N6B C21B 1.313(7) . ?
N7B C27B 1.460(8) . ?
N8B C33B 1.301(7) . ?
N8B N9B 1.404(6) . ?
N9B C34B 1.315(7) . ?
N10B C40B 1.448(8) . ?
N11B C46B 1.330(7) . ?
N11B N12B 1.401(6) . ?
N12B C47B 1.342(7) . ?
N13B C53B 1.428(7) . ?
N14B C59B 1.327(6) . ?
N14B N15B 1.417(6) . ?
N15B C60B 1.310(6) . ?
N16B C66B 1.440(7) . ?
N17B C72B 1.305(7) . ?
N17B N18B 1.416(6) . ?
N18B C73B 1.317(7) . ?
N19B C79B 1.445(7) . ?
N20B C85B 1.313(7) . ?
N20B N21B 1.415(6) . ?
N21B C86B 1.322(7) . ?
N22B C92B 1.437(7) . ?
N23B C98B 1.310(7) . ?
N23B N24B 1.406(6) . ?
N24B C99B 1.326(6) . ?
C1B C2B 1.383(8) . ?
C1B C6B 1.396(8) . ?
C2B C3B 1.381(8) . ?
C3B C4B 1.383(9) . ?
C4B C5B 1.396(8) . ?
C5B C6B 1.390(7) . ?
C6B C7B 1.459(8) . ?
C8B C9B 1.503(8) . ?
C9B C13B 1.527(8) . ?
C9B C10B 1.541(10) . ?
C10B C11B 1.537(9) . ?
C11B C12B 1.477(12) . ?
C12B C13B 1.548(11) . ?
C14B C19B 1.396(8) . ?
C14B C15B 1.403(7) . ?
C15B C16B 1.404(7) . ?
C15B C20B 1.486(7) . ?
C16B C17B 1.377(8) . ?
C17B C18B 1.389(9) . ?
C18B C19B 1.390(8) . ?
C21B C22B 1.505(7) . ?
C22B C23B 1.528(9) . ?
C22B C26B 1.536(9) . ?
C23B C24B 1.532(9) . ?
C24B C25B 1.490(10) . ?
C25B C26B 1.528(8) . ?
C27B C32B 1.382(8) . ?
C27B C28B 1.410(8) . ?
C28B C29B 1.404(8) . ?
C28B C33B 1.481(7) . ?
C29B C30B 1.376(9) . ?
C30B C31B 1.386(10) . ?
C31B C32B 1.400(10) . ?
C34B C35B 1.483(8) . ?
C35B C36B 1.518(11) . ?
C35B C39B 1.531(10) . ?
C36B C37B 1.503(10) . ?
C37B C38B 1.462(13) . ?
C38B C39B 1.518(11) . ?
C40B C45B 1.391(8) . ?
C40B C41B 1.399(8) . ?
C41B C42B 1.403(8) . ?
C41B C46B 1.475(8) . ?
C42B C43B 1.379(9) . ?
C43B C44B 1.370(9) . ?
C44B C45B 1.393(9) . ?
C47B C48B 1.490(8) . ?
C48B C49B 1.510(8) . ?
C48B C52B 1.533(8) . ?
C49B C50B 1.526(9) . ?
C50B C51B 1.528(9) . ?
C51B C52B 1.536(8) . ?
C53B C58B 1.385(8) . ?
C53B C54B 1.411(8) . ?
C54B C55B 1.406(8) . ?
C54B C59B 1.476(7) . ?
C55B C56B 1.410(9) . ?
C56B C57B 1.377(10) . ?
C57B C58B 1.376(9) . ?
C60B C61B 1.502(7) . ?
C61B C62B 1.541(8) . ?
C61B C65B 1.545(8) . ?
C62B C63B 1.542(8) . ?
C63B C64B 1.520(10) . ?
C64B C65B 1.515(9) . ?
C66B C67B 1.384(7) . ?
C66B C71B 1.398(7) . ?
C67B C68B 1.401(8) . ?
C68B C69B 1.369(8) . ?
C69B C70B 1.369(8) . ?
C70B C71B 1.418(8) . ?
C71B C72B 1.464(7) . ?
C73B C74B 1.504(7) . ?
C74B C78B 1.521(9) . ?
C74B C75B 1.533(8) . ?
C75B C76B 1.528(9) . ?
C76B C77B 1.470(10) . ?
C77B C78B 1.520(9) . ?
C79B C80B 1.387(8) . ?
C79B C84B 1.397(8) . ?
C80B C81B 1.399(8) . ?
C80B C85B 1.485(7) . ?
C81B C82B 1.365(8) . ?
C82B C83B 1.370(9) . ?
C83B C84B 1.375(8) . ?
C86B C87B 1.492(7) . ?
C87B C91B 1.521(9) . ?
C87B C88B 1.527(9) . ?
C88B C89B 1.562(9) . ?
C89B C90B 1.487(11) . ?
C90B C91B 1.532(10) . ?
C92B C93B 1.405(9) . ?
C92B C97B 1.413(8) . ?
C93B C94B 1.406(8) . ?
C93B C98B 1.483(8) . ?
C94B C95B 1.377(10) . ?
C95B C96B 1.380(11) . ?
C96B C97B 1.380(9) . ?
C99B C200 1.497(8) . ?
C200 C201 1.521(8) . ?
C200 C204 1.551(8) . ?
C201 C202 1.553(9) . ?
C202 C203 1.534(10) . ?
C203 C204 1.527(9) . ?
Ga1C O1C 1.937(4) . ?
Ga1C O15C 1.939(4) . ?
Ga1C O17C 1.993(4) . ?
Ga1C O18C 2.005(4) . ?
Ga1C N3C 2.048(4) . ?
Ga1C N24C 2.080(4) . ?
Ga2C O4C 1.966(4) . ?
Ga2C O2C 1.982(4) . ?
Ga2C N2C 1.992(5) . ?
Ga2C N5C 2.008(5) . ?
Ga2C N4C 2.066(5) . ?
Ga2C N1C 2.079(4) . ?
Ga3C O5C 1.937(5) . ?
Ga3C O3C 1.946(5) . ?
Ga3C O19C 2.002(5) . ?
Ga3C O20C 2.012(5) . ?
Ga3C N9C 2.057(5) . ?
Ga3C N6C 2.058(5) . ?
Ga4C O8C 1.969(4) . ?
Ga4C O6C 1.972(4) . ?
Ga4C N8C 1.989(5) . ?
Ga4C N11C 2.002(5) . ?
Ga4C N10C 2.087(5) . ?
Ga4C N7C 2.093(5) . ?
Ga5C O9C 1.936(5) . ?
Ga5C O7C 1.942(5) . ?
Ga5C O21C 1.982(4) . ?
Ga5C O22C 2.012(4) . ?
Ga5C N15C 2.048(4) . ?
Ga5C N12C 2.065(5) . ?
Ga6C O10C 1.975(4) . ?
Ga6C O12C 1.975(3) . ?
Ga6C N17C 1.995(4) . ?
Ga6C N14C 2.004(5) . ?
Ga6C N16C 2.057(4) . ?
Ga6C N13C 2.082(5) . ?
Ga7C O13C 1.945(3) . ?
Ga7C O11C 1.948(4) . ?
Ga7C O24C 1.990(4) . ?
Ga7C O23C 2.000(4) . ?
Ga7C N18C 2.056(4) . ?
Ga7C N21C 2.060(4) . ?
Ga8C O16C 1.956(3) . ?
Ga8C O14C 1.977(3) . ?
Ga8C N23C 2.005(4) . ?
Ga8C N20C 2.019(4) . ?
Ga8C N22C 2.086(4) . ?
Ga8C N19C 2.110(4) . ?
O1C C7C 1.269(7) . ?
O2C C8C 1.283(7) . ?
O3C C20C 1.267(8) . ?
O4C C21C 1.272(7) . ?
O5C C33C 1.283(7) . ?
O6C C34C 1.277(7) . ?
O7C C46C 1.293(8) . ?
O8C C47C 1.285(7) . ?
O9C C59C 1.292(7) . ?
O10C C60C 1.285(7) . ?
O11C C72C 1.288(6) . ?
O12C C73C 1.272(6) . ?
O13C C85C 1.291(6) . ?
O14C C86C 1.273(6) . ?
O15C C98C 1.287(6) . ?
O16C C99C 1.278(6) . ?
O18C C305 1.484(10) . ?
O19C C306 1.633(15) . ?
O20C C307 1.401(11) . ?
O22C C308 1.485(8) . ?
O23C C309 1.466(7) . ?
O24C C310 1.459(9) . ?
N1C C1C 1.460(8) . ?
N2C C7C 1.321(7) . ?
N2C N3C 1.409(6) . ?
N3C C8C 1.331(7) . ?
N4C C14C 1.457(7) . ?
N5C C20C 1.300(8) . ?
N5C N6C 1.417(7) . ?
N6C C21C 1.333(7) . ?
N7C C27C 1.455(7) . ?
N8C C33C 1.326(8) . ?
N8C N9C 1.411(7) . ?
N9C C34C 1.347(8) . ?
N10C C40C 1.450(8) . ?
N11C C46C 1.320(8) . ?
N11C N12C 1.414(7) . ?
N12C C47C 1.323(7) . ?
N13C C53C 1.448(7) . ?
N14C C59C 1.308(7) . ?
N14C N15C 1.413(7) . ?
N15C C60C 1.338(7) . ?
N16C C66C 1.459(7) . ?
N17C C72C 1.309(7) . ?
N17C N18C 1.402(5) . ?
N18C C73C 1.312(7) . ?
N19C C79C 1.461(6) . ?
N20C C85C 1.306(6) . ?
N20C N21C 1.406(5) . ?
N21C C86C 1.332(6) . ?
N22C C92C 1.452(6) . ?
N23C C98C 1.322(6) . ?
N23C N24C 1.411(6) . ?
N24C C99C 1.319(6) . ?
C1C C2C 1.390(9) . ?
C1C C6C 1.391(9) . ?
C2C C3C 1.409(8) . ?
C2C C7C 1.493(8) . ?
C3C C4C 1.367(9) . ?
C4C C5C 1.413(11) . ?
C5C C6C 1.379(10) . ?
C8C C9C 1.492(8) . ?
C9C C10C 1.524(9) . ?
C9C C13C 1.530(8) . ?
C10C C11C 1.594(12) . ?
C11C C12C 1.543(16) . ?
C12C C13C 1.525(12) . ?
C611 C612 1.54(3) . ?
C14C C15C 1.380(9) . ?
C14C C19C 1.397(9) . ?
C15C C16C 1.411(9) . ?
C15C C20C 1.492(9) . ?
C16C C17C 1.352(10) . ?
C17C C18C 1.374(11) . ?
C18C C19C 1.383(10) . ?
C21C C22C 1.490(8) . ?
C22C C23C 1.512(9) . ?
C22C C26C 1.532(9) . ?
C23C C24C 1.535(9) . ?
C24C C25C 1.543(9) . ?
C25C C26C 1.519(9) . ?
C27C C28C 1.385(9) . ?
C27C C32C 1.385(10) . ?
C28C C29C 1.411(9) . ?
C28C C33C 1.458(9) . ?
C29C C30C 1.387(10) . ?
C30C C31C 1.360(10) . ?
C31C C32C 1.392(9) . ?
C34C C35C 1.498(9) . ?
C35C C39C 1.503(17) . ?
C35C C36C 1.595(16) . ?
C36C C37C 1.58(2) . ?
C37C C38C 1.38(2) . ?
C38C C39C 1.61(2) . ?
C636 C637 1.49(2) . ?
C40C C45C 1.387(10) . ?
C40C C41C 1.398(10) . ?
C41C C42C 1.424(9) . ?
C41C C46C 1.451(10) . ?
C42C C43C 1.344(12) . ?
C43C C44C 1.378(12) . ?
C44C C45C 1.379(10) . ?
C47C C48C 1.516(9) . ?
C48C C52C 1.523(8) . ?
C48C C49C 1.537(9) . ?
C49C C50C 1.463(10) . ?
C50C C51C 1.500(11) . ?
C51C C52C 1.504(10) . ?
C53C C58C 1.381(9) . ?
C53C C54C 1.404(9) . ?
C54C C55C 1.405(8) . ?
C54C C59C 1.480(9) . ?
C55C C56C 1.378(10) . ?
C56C C57C 1.375(10) . ?
C57C C58C 1.394(9) . ?
C60C C61C 1.477(8) . ?
C61C C65C 1.530(9) . ?
C61C C62C 1.551(9) . ?
C62C C63C 1.518(9) . ?
C63C C64C 1.536(11) . ?
C64C C65C 1.511(10) . ?
C66C C67C 1.392(8) . ?
C66C C71C 1.406(8) . ?
C67C C68C 1.407(8) . ?
C67C C72C 1.484(7) . ?
C68C C69C 1.388(9) . ?
C69C C70C 1.372(11) . ?
C70C C71C 1.358(11) . ?
C73C C74C 1.499(7) . ?
C74C C75C 1.532(8) . ?
C74C C78C 1.541(8) . ?
C75C C76C 1.543(8) . ?
C76C C77C 1.539(9) . ?
C77C C78C 1.537(8) . ?
C79C C84C 1.368(7) . ?
C79C C80C 1.392(7) . ?
C80C C81C 1.402(7) . ?
C80C C85C 1.488(7) . ?
C81C C82C 1.373(7) . ?
C82C C83C 1.384(8) . ?
C83C C84C 1.370(7) . ?
C86C C87C 1.507(7) . ?
C87C C91C 1.513(8) . ?
C87C C88C 1.540(8) . ?
C88C C89C 1.527(8) . ?
C89C C90C 1.544(8) . ?
C90C C91C 1.542(8) . ?
C92C C93C 1.379(8) . ?
C92C C97C 1.401(7) . ?
C93C C94C 1.405(7) . ?
C93C C98C 1.479(7) . ?
C94C C95C 1.389(8) . ?
C95C C96C 1.376(8) . ?
C96C C97C 1.385(8) . ?
C99C C300 1.493(7) . ?
C300 C304 1.522(8) . ?
C300 C301 1.562(8) . ?
C301 C302 1.492(9) . ?
C302 C303 1.544(9) . ?
C303 C304 1.537(8) . ?
Ga1D O1D 1.934(4) . ?
Ga1D O1D 1.934(4) 2_655 ?
Ga1D O9D 2.029(4) . ?
Ga1D O9D 2.029(4) 2_655 ?
Ga1D N3D 2.053(4) . ?
Ga1D N3D 2.053(4) 2_655 ?
Ga2D O4D 1.969(4) . ?
Ga2D O2D 1.980(4) . ?
Ga2D N2D 1.983(4) . ?
Ga2D N5D 1.999(4) . ?
Ga2D N1D 2.081(4) . ?
Ga2D N4D 2.090(4) . ?
Ga3D O5D 1.936(4) . ?
Ga3D O3D 1.941(4) . ?
Ga3D O12D 2.011(4) . ?
Ga3D O13D 2.018(3) . ?
Ga3D N9D 2.057(4) . ?
Ga3D N6D 2.060(4) . ?
Ga4D O8D 1.972(4) . ?
Ga4D O6D 1.973(4) . ?
Ga4D N8D 1.999(4) . ?
Ga4D N11D 2.001(4) . ?
Ga4D N10D 2.101(4) . ?
Ga4D N7D 2.113(4) . ?
Ga5D O7D 1.938(4) . ?
Ga5D O7D 1.938(4) 2_655 ?
Ga5D O14D 2.011(4) . ?
Ga5D O14D 2.011(4) 2_655 ?
Ga5D N12D 2.068(4) 2_655 ?
Ga5D N12D 2.068(4) . ?
O1D C7D 1.291(6) . ?
O2D C8D 1.276(6) . ?
O3D C20D 1.294(6) . ?
O4D C21D 1.288(6) . ?
O5D C33D 1.289(6) . ?
O6D C34D 1.278(6) . ?
O7D C46D 1.291(6) . ?
O8D C47D 1.290(6) . ?
O9D N13D 1.254(6) . ?
O10D N13D 1.198(7) . ?
O11D N13D 1.264(7) . ?
O12D C53D 1.520(7) . ?
O13D C54D 1.483(8) . ?
O14D C55D 1.488(10) . ?
N1D C1D 1.464(6) . ?
N2D C7D 1.311(7) . ?
N2D N3D 1.406(6) . ?
N3D C8D 1.332(7) . ?
N4D C14D 1.455(6) . ?
N5D C20D 1.306(6) . ?
N5D N6D 1.408(6) . ?
N6D C21D 1.327(6) . ?
N7D C27D 1.454(7) . ?
N8D C33D 1.311(6) . ?
N8D N9D 1.418(6) . ?
N9D C34D 1.316(6) . ?
N10D C40D 1.458(7) . ?
N11D C46D 1.312(7) . ?
N11D N12D 1.414(6) . ?
N12D C47D 1.309(7) . ?
C1D C6D 1.388(7) . ?
C1D C2D 1.407(7) . ?
C2D C3D 1.400(7) . ?
C2D C7D 1.473(7) . ?
C3D C4D 1.377(8) . ?
C4D C5D 1.382(8) . ?
C5D C6D 1.372(8) . ?
C8D C9D 1.483(8) . ?
C9D C713 1.38(3) . ?
C9D C13D 1.525(11) . ?
C9D C10D 1.620(12) . ?
C9D C710 1.83(3) . ?
C10D C11D 1.529(14) . ?
C11D C12D 1.510(16) . ?
C12D C13D 1.541(12) . ?
C710 C711 1.55(4) . ?
C14D C19D 1.391(8) . ?
C14D C15D 1.393(7) . ?
C15D C16D 1.411(7) . ?
C15D C20D 1.471(7) . ?
C16D C17D 1.387(8) . ?
C17D C18D 1.394(9) . ?
C18D C19D 1.391(8) . ?
C21D C22D 1.502(8) . ?
C22D C24D 1.526(9) . ?
C22D C23D 1.529(9) . ?
C23D C26D 1.470(10) . ?
C24D C25D 1.540(12) . ?
C25D C26D 1.509(12) . ?
C27D C32D 1.388(8) . ?
C27D C28D 1.400(8) . ?
C28D C29D 1.396(8) . ?
C28D C33D 1.475(7) . ?
C29D C30D 1.387(8) . ?
C30D C31D 1.383(10) . ?
C31D C32D 1.377(9) . ?
C34D C35D 1.509(7) . ?
C35D C39D 1.532(7) . ?
C35D C36D 1.539(7) . ?
C36D C37D 1.521(8) . ?
C37D C38D 1.522(9) . ?
C38D C39D 1.545(8) . ?
C40D C45D 1.378(7) . ?
C40D C41D 1.402(7) . ?
C41D C42D 1.386(8) . ?
C41D C46D 1.476(7) . ?
C42D C43D 1.388(8) . ?
C43D C44D 1.399(9) . ?
C44D C45D 1.371(8) . ?
C47D C48D 1.495(7) . ?
C48D C52D 1.521(8) . ?
C48D C49D 1.525(8) . ?
C49D C50D 1.529(8) . ?
C50D C51D 1.524(9) . ?
C51D C52D 1.518(8) . ?
N1N O1N 1.239(8) . ?
N1N O3N 1.289(8) . ?
N1N O2N 1.386(9) . ?
N2N O5N 1.227(6) . ?
N2N O6N 1.258(6) . ?
N2N O4N 1.285(6) . ?
N3N O8N 1.235(7) . ?
N3N O7N 1.245(6) . ?
N3N O9N 1.268(6) . ?
N4N O12N 1.245(6) . ?
N4N O11N 1.263(6) . ?
N4N O10N 1.267(6) . ?
N5N O15N 1.185(8) . ?
N5N O14N 1.251(9) . ?
N5N O13N 1.264(8) . ?
N6N O16N 1.247(7) . ?
N6N O17N 1.253(6) . ?
N6N O18N 1.277(6) . ?
N7N O20N 1.232(6) . ?
N7N O19N 1.244(7) . ?
N7N O21N 1.277(6) . ?
N8N O22N 1.216(6) . ?
N8N O24N 1.254(6) . ?
N8N O23N 1.285(6) . ?
N9N O25N 1.220(7) . ?
N9N O27N 1.233(7) . ?
N9N O26N 1.289(7) . ?
N10N O29N 1.189(9) . ?
N10N O30N 1.237(9) . ?
N10N O28N 1.272(8) . ?
N11N O31N 1.222(6) . ?
N11N O33N 1.260(6) . ?
N11N O32N 1.280(5) . ?
N12N O36N 1.192(16) . ?
N12N O34N 1.24(2) . ?
N12N O35N 1.41(2) . ?
N13N O37N 1.198(7) . ?
N13N O39N 1.244(8) . ?
N13N O38N 1.282(7) . ?
N14N O41N 1.237(6) . ?
N14N O42N 1.241(6) . ?
N14N O40N 1.282(6) . ?
N15N O44N 1.240(6) . ?
N15N O43N 1.246(6) . ?
N15N O45N 1.270(6) . ?
N16N O46N 1.197(7) . ?
N16N O47N 1.268(8) . ?
N16N O48N 1.306(7) . ?
N17N O50N 1.231(6) . ?
N17N O51N 1.235(6) . ?
N17N O49N 1.267(7) . ?
N18N O52N 1.240(6) . ?
N18N O53N 1.242(6) . ?
N18N O54N 1.274(5) . ?
N19N O57N 1.238(8) . ?
N19N O55N 1.244(7) . ?
N19N O56N 1.249(7) . ?
N20N O59N 1.218(14) . ?
N20N O60N 1.219(12) . ?
N20N O58N 1.223(9) . ?
N21N O62N 1.222(6) . ?
N21N O63N 1.256(5) . ?
N21N O61N 1.277(6) . ?
N22N O65N 1.217(6) . ?
N22N O66N 1.247(6) . ?
N22N O64N 1.278(5) . ?
N23N O69N 1.132(12) . ?
N23N O68N 1.185(11) . ?
N23N O67N 1.192(9) . ?
N24N O72N 1.214(6) . ?
N24N O70N 1.228(6) . ?
N24N O71N 1.254(6) . ?
N25N O74N 1.244(6) . ?
N25N O73N 1.247(6) . ?
N25N O75N 1.274(6) . ?
N26N O77N 1.404(13) . ?
N26N O76N 1.485(13) . ?
N27N O81N 1.255(15) . ?
N27N O80N 1.386(16) . ?
N27N O79N 1.395(17) . ?
O1M C1M 1.459(7) . ?
O2M C2M 1.457(8) . ?
O3M C3M 1.475(9) . ?
O4M C4M 1.422(14) . ?
O5M C5M 1.505(11) . ?
O6M C6M 1.379(11) . ?
O7M C7M 1.405(11) . ?
O8M C8M 1.364(12) . ?
O9M C9M 1.592(16) . ?
O10M C10M 1.573(15) . ?
O11M C11M 1.63(2) . ?
O12M C12M 1.457(16) . ?
O13M C13M 1.531(15) . ?
O14M C14M 1.425(19) . ?
O15M C15M 1.28(3) . ?
O16M C16M 1.535(17) . ?
O17M C17M 1.549(17) . ?
O18M C18M 1.504(17) . ?
O19M C19M 1.277(14) . ?
O20M C20M 1.391(18) . ?
O21M C21M 1.612(18) . ?
O22M C22M 1.607(17) . ?
O23M C23M 1.344(18) . ?
O24M C24M 1.29(3) . ?
