# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

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

data_1_NaTPHAP-H
_database_code_depnum_ccdc_archive 'CCDC 1436930'
_audit_update_record             
;
2015-11-13 deposited with the CCDC.
2016-02-09 downloaded from the CCDC.
;

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
# Get _chemical_formula_moiety using checkCIF
_chemical_formula_moiety         'C22 N9 Na O5'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_sum            'C22 N9 Na O5'
_chemical_formula_weight         493.283
_chemical_melting_point          ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0129 0.0062 'International Tables for Crystallography, Vol. C'
N N 0.0228 0.0125 'International Tables for Crystallography, Vol. C'
Na Na 0.1052 0.0879 'International Tables for Crystallography, Vol. C'
O O 0.0368 0.0225 'International Tables for Crystallography, Vol. C'

#===============================================================================
# 6. POWDER SPECIMEN AND CRYSTAL DATA

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2

_cell_length_a                   32.313(3)
_cell_length_b                   19.769(2)
_cell_length_c                   3.7343(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.59(1)
_cell_angle_gamma                90
_cell_volume                     2358.7(4)
# If checkCIF gives a different Z value, change both
# _chemical_formula_sum and _chemical_formula_weight.
_cell_formula_units_Z            4
_cell_measurement_temperature    300

_cell_special_details            ?

_exptl_crystal_density_diffrn    1.3891
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             984.00
_pd_spec_mounting                capillary
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_char_colour                  'pale yellow'
_exptl_absorpt_coefficient_mu    ?


#===============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location               
; ?
;
_pd_calibration_special_details  
# description of the method used
# to calibrate the instrument
; ?
;

_diffrn_ambient_temperature      300
_diffrn_source                   synchrotron
_diffrn_source_target            'SPring-8 BL19B2'
_diffrn_source_type              synchrotron
_diffrn_measurement_device_type  'large Debye-Scherrer camera'
_diffrn_detector                 'Imaging Plate'
_pd_meas_scan_method             fixed
_diffrn_radiation_wavelength     1.300000
_diffrn_radiation_monochromator  Si(111)
_pd_meas_number_of_points        7807
_pd_meas_2theta_range_min        0.0100
_pd_meas_2theta_range_max        78.0700
_pd_meas_2theta_range_inc        0.0100

#===============================================================================

# 8. REFINEMENT DATA

# Use the next field to give any special details about the fitting of the
# powder pattern.

_pd_proc_ls_special_details      
; ?
;

# The next three items are given as text.

_pd_calc_method                  'Rietveld Refinement'

_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     
; ?
;
# Replace '; ?' with the following four lines for the March-Dollase function:
#; $P_k = \sum_{j=1}^{m_k} \frac{1}{m_k}
#\left( r^2 \cos^2 \alpha_j +r^{-1}\ sin^2 \alpha_j \right)^{-3/2}$
#with a preferred-orientation vector, (hkl),
#and <i>r</i> = 1.0(0)

_pd_proc_ls_prof_R_factor        0.02243
_pd_proc_ls_prof_wR_factor       0.02955
_pd_proc_ls_prof_wR_expected     0.02314
_refine_ls_R_I_factor            0.05395
_refine_ls_R_Fsqd_factor         0.03995
_refine_ls_R_factor_all          0.04361

_refine_special_details          
; ?
;

_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     1/yi
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_parameters     272
_refine_ls_number_restraints     0
_refine_ls_number_constraints    33
_refine_ls_goodness_of_fit_all   1.2770
_refine_ls_restrained_S_all      ?
_refine_ls_shift/su_max          1.0E-6
_refine_ls_shift/su_mean         ?
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_pd_proc_2theta_range_min        3.0000
_pd_proc_2theta_range_max        50.0000
_pd_proc_2theta_range_inc        0.0100
_pd_proc_wavelength              1.3000
_pd_block_diffractogram_id       ?
_computing_data_collection       ?
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_data_reduction        ?
_computing_structure_solution    DASH
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_publication_material  ?

#===============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
C1 0.198(8) -0.02(1) 0.81(5) 1 4 e Uiso 0.03(1) C
C2 0.179(8) 0.03(1) 0.61(6) 1 4 e Uiso 0.03(1) C
N3 0.242(6) -0.023(7) 0.88(2) 1 4 e Uiso 0.03(1) N
N4 0.178(6) -0.075(5) 0.86(3) 1 4 e Uiso 0.03(1) N
C5 0.203(9) 0.08(1) 0.49(4) 1 4 e Uiso 0.03(1) C
C6 0.132(9) 0.03(1) 0.49(4) 1 4 e Uiso 0.03(1) C
C7 0.260(5) 0.03(1) 0.77(5) 1 4 e Uiso 0.03(1) C
C8 0.135(8) -0.074(7) 0.76(4) 1 4 e Uiso 0.03(1) C
N9 0.243(6) 0.085(8) 0.60(4) 1 4 e Uiso 0.03(1) N
N10 0.185(6) 0.134(6) 0.29(3) 1 4 e Uiso 0.03(1) N
N11 0.113(4) 0.085(9) 0.38(3) 1 4 e Uiso 0.03(1) N
N12 0.110(3) -0.02(1) 0.59(3) 1 4 e Uiso 0.03(1) N
C13 0.301(6) 0.04(1) 0.86(4) 1 4 e Uiso 0.03(1) C
C14 0.112(6) -0.141(9) 0.81(4) 1 4 e Uiso 0.03(1) C
C15 0.139(8) 0.134(9) 0.26(3) 1 4 e Uiso 0.03(1) C
C16 0.322(7) 0.089(8) 0.74(4) 1 4 e Uiso 0.03(1) C
C17 0.323(7) -0.017(9) 1.02(4) 1 4 e Uiso 0.03(1) C
C18 0.134(4) -0.20(1) 1.00(3) 1 4 e Uiso 0.03(1) C
C19 0.070(7) -0.146(7) 0.69(3) 1 4 e Uiso 0.03(1) C
C20 0.119(6) 0.194(9) 0.14(4) 1 4 e Uiso 0.03(1) C
C21 0.368(7) 0.091(8) 0.82(4) 1 4 e Uiso 0.03(1) C
C22 0.365(7) -0.014(9) 1.08(3) 1 4 e Uiso 0.03(1) C
C23 0.112(7) -0.252(8) 1.05(3) 1 4 e Uiso 0.03(1) C
C24 0.051(4) -0.20(1) 0.75(4) 1 4 e Uiso 0.03(1) C
C25 0.081(6) 0.204(8) 0.16(3) 1 4 e Uiso 0.03(1) C
C26 0.142(5) 0.25(1) -0.01(4) 1 4 e Uiso 0.03(1) C
N27 0.389(4) 0.043(8) 0.99(3) 1 4 e Uiso 0.03(1) N
N28 0.072(4) -0.254(7) 0.95(3) 1 4 e Uiso 0.03(1) N
C29 0.061(4) 0.26(1) 0.02(3) 1 4 e Uiso 0.03(1) C
C30 0.120(6) 0.31(1) -0.15(3) 1 4 e Uiso 0.03(1) C
N31 0.083(5) 0.315(7) -0.15(3) 1 4 e Uiso 0.03(1) N
Na32 0.469(3) -0.464(4) -0.38(2) 0.66(3) 4 e Uiso 0.038 Na
Na33 0.246(6) 0.828(9) -0.30(4) 0.34(3) 4 e Uiso 0.038 Na
O34 -0.756(3) 0.731(4) 1.12(1) 1 4 e Uiso 0.038 O
O35 0.031(3) 0.434(4) 0.60(2) 1 4 e Uiso 0.038 O
O36 0.034(2) -0.395(3) 0.86(2) 1 4 e Uiso 0.038 O
O37 0.477(8) -0.42(1) -0.88(6) 0.34(3) 4 e Uiso 0.038 O
O38 0.257(4) 0.848(7) 0.35(3) 0.66(3) 4 e Uiso 0.038 O
O39 0.033(3) -0.470(4) 0.40(2) 1 4 e Uiso 0.038 O

#===============================================================================

#10. GEOMETRICAL PARAMETERS

_geom_special_details            ?

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N3 1.3498 . ?_??? ?
C1 N4 1.3542 . ?_??? ?
C1 C2 1.4017 . ?_??? ?
C1 O34 2.1942 . ?_??? ?
C1 C8 2.2756 . ?_??? ?
C1 C7 2.2819 . ?_??? ?
C1 C6 2.4196 . ?_??? ?
C1 C5 2.4329 . ?_??? ?
C1 N12 2.7681 . ?_??? ?
C1 N9 2.7816 . ?_??? ?
C1 C2 3.5372 . ?_??? ?
C1 N4 3.6176 . ?_??? ?
C1 C13 3.6256 . ?_??? ?
C1 C14 3.6308 . ?_??? ?
C1 N11 3.6596 . ?_??? ?
C1 N10 3.6665 . ?_??? ?
C1 Na33 3.6754 . ?_??? ?
C1 C5 3.716 . ?_??? ?
C1 C1 3.7381 . ?_??? ?
C1 C1 3.7381 . ?_??? ?
C1 O34 3.786 . ?_??? ?
C2 O34 1.1547 . ?_??? ?
C2 C6 1.3988 . ?_??? ?
C2 C5 1.4003 . ?_??? ?
C2 C1 1.4017 . ?_??? ?
C2 N3 2.3796 . ?_??? ?
C2 N12 2.38 . ?_??? ?
C2 N9 2.3819 . ?_??? ?
C2 N10 2.3845 . ?_??? ?
C2 N11 2.3879 . ?_??? ?
C2 N4 2.3902 . ?_??? ?
C2 C7 2.6239 . ?_??? ?
C2 C15 2.631 . ?_??? ?
C2 C8 2.6328 . ?_??? ?
C2 C1 3.5372 . ?_??? ?
C2 C5 3.6437 . ?_??? ?
C2 N4 3.6797 . ?_??? ?
C2 N10 3.7115 . ?_??? ?
C2 C2 3.7381 . ?_??? ?
C2 C2 3.7381 . ?_??? ?
C2 C15 3.7662 . ?_??? ?
C2 O34 3.7788 . ?_??? ?
N3 C1 1.3498 . ?_??? ?
N3 C7 1.3503 . ?_??? ?
N3 N4 2.3415 . ?_??? ?
N3 C2 2.3796 . ?_??? ?
N3 C13 2.3969 . ?_??? ?
N3 N9 2.4295 . ?_??? ?
N3 C17 2.7784 . ?_??? ?
N3 C5 2.7826 . ?_??? ?
N3 Na33 3.3345 . ?_??? ?
N3 O34 3.4082 . ?_??? ?
N3 Na33 3.4235 . ?_??? ?
N3 C8 3.5259 . ?_??? ?
N3 C7 3.6381 . ?_??? ?
N3 C6 3.6497 . ?_??? ?
N3 C16 3.6823 . ?_??? ?
N3 N3 3.7381 . ?_??? ?
N3 N3 3.7381 . ?_??? ?
N3 N9 3.7573 . ?_??? ?
N4 C8 1.3403 . ?_??? ?
N4 C1 1.3542 . ?_??? ?
N4 N3 2.3415 . ?_??? ?
N4 C2 2.3902 . ?_??? ?
N4 C14 2.4028 . ?_??? ?
N4 N12 2.4217 . ?_??? ?
N4 O34 2.6315 . ?_??? ?
N4 C6 2.7756 . ?_??? ?
N4 C18 2.8103 . ?_??? ?
N4 Na33 3.3251 . ?_??? ?
N4 C7 3.5371 . ?_??? ?
N4 Na33 3.5638 . ?_??? ?
N4 C1 3.6176 . ?_??? ?
N4 C5 3.6687 . ?_??? ?
N4 C19 3.6792 . ?_??? ?
N4 C2 3.6797 . ?_??? ?
N4 O34 3.7047 . ?_??? ?
N4 N4 3.7381 . ?_??? ?
N4 N4 3.7381 . ?_??? ?
N4 Na32 3.7588 . ?_??? ?
N4 C6 3.7981 . ?_??? ?
C5 N10 1.3552 . ?_??? ?
C5 N9 1.356 . ?_??? ?
C5 C2 1.4003 . ?_??? ?
C5 O34 2.2316 . ?_??? ?
C5 C7 2.2792 . ?_??? ?
C5 C15 2.2819 . ?_??? ?
C5 C6 2.4227 . ?_??? ?
C5 C1 2.4329 . ?_??? ?
C5 N11 2.7802 . ?_??? ?
C5 N3 2.7826 . ?_??? ?
C5 N10 3.5474 . ?_??? ?
C5 C13 3.6314 . ?_??? ?
C5 C20 3.6392 . ?_??? ?
C5 C2 3.6437 . ?_??? ?
C5 N12 3.6536 . ?_??? ?
C5 N4 3.6687 . ?_??? ?
C5 C1 3.716 . ?_??? ?
C5 C5 3.7381 . ?_??? ?
C5 C5 3.7381 . ?_??? ?
C6 O34 0.2484 . ?_??? ?
C6 N12 1.3467 . ?_??? ?
C6 N11 1.3545 . ?_??? ?
C6 C2 1.3988 . ?_??? ?
C6 C15 2.276 . ?_??? ?
C6 C8 2.2778 . ?_??? ?
C6 C1 2.4196 . ?_??? ?
C6 C5 2.4227 . ?_??? ?
C6 N10 2.7726 . ?_??? ?
C6 N4 2.7756 . ?_??? ?
C6 N11 3.4734 . ?_??? ?
C6 C8 3.5959 . ?_??? ?
C6 C14 3.6178 . ?_??? ?
C6 C20 3.6286 . ?_??? ?
C6 N12 3.6306 . ?_??? ?
C6 N3 3.6497 . ?_??? ?
C6 N9 3.657 . ?_??? ?
C6 C15 3.6807 . ?_??? ?
C6 C6 3.7381 . ?_??? ?
C6 C6 3.7381 . ?_??? ?
C6 O34 3.7567 . ?_??? ?
C6 N4 3.7981 . ?_??? ?
C7 N9 1.3388 . ?_??? ?
C7 N3 1.3503 . ?_??? ?
C7 C13 1.4901 . ?_??? ?
C7 C5 2.2792 . ?_??? ?
C7 C1 2.2819 . ?_??? ?
C7 C17 2.5094 . ?_??? ?
C7 C16 2.5126 . ?_??? ?
C7 C2 2.6239 . ?_??? ?
C7 N4 3.5371 . ?_??? ?
C7 N10 3.5378 . ?_??? ?
C7 N9 3.5451 . ?_??? ?
C7 N3 3.6381 . ?_??? ?
C7 C7 3.7381 . ?_??? ?
C7 C7 3.7381 . ?_??? ?
C7 C21 3.7702 . ?_??? ?
C7 C22 3.7707 . ?_??? ?
C7 O34 3.7766 . ?_??? ?
C8 N4 1.3403 . ?_??? ?
C8 N12 1.3437 . ?_??? ?
C8 C14 1.4882 . ?_??? ?
C8 O34 2.2523 . ?_??? ?
C8 C1 2.2756 . ?_??? ?
C8 C6 2.2778 . ?_??? ?
C8 C19 2.5079 . ?_??? ?
C8 C18 2.5085 . ?_??? ?
C8 C2 2.6328 . ?_??? ?
C8 N12 3.4861 . ?_??? ?
C8 N3 3.5259 . ?_??? ?
C8 N11 3.5288 . ?_??? ?
C8 C14 3.5885 . ?_??? ?
C8 O34 3.5907 . ?_??? ?
C8 C6 3.5959 . ?_??? ?
C8 C8 3.7381 . ?_??? ?
C8 C8 3.7381 . ?_??? ?
C8 C24 3.7646 . ?_??? ?
C8 C23 3.7715 . ?_??? ?
C8 C18 3.7928 . ?_??? ?
N9 C7 1.3388 . ?_??? ?
N9 C5 1.356 . ?_??? ?
N9 N10 2.3548 . ?_??? ?
N9 C2 2.3819 . ?_??? ?
N9 C13 2.3969 . ?_??? ?
N9 N3 2.4295 . ?_??? ?
N9 C1 2.7816 . ?_??? ?
N9 C16 2.7959 . ?_??? ?
N9 O34 3.4377 . ?_??? ?
N9 C15 3.5412 . ?_??? ?
N9 C7 3.5451 . ?_??? ?
N9 C6 3.657 . ?_??? ?
N9 Na32 3.6644 . ?_??? ?
N9 C17 3.6792 . ?_??? ?
N9 N9 3.7381 . ?_??? ?
N9 N9 3.7381 . ?_??? ?
N9 N3 3.7573 . ?_??? ?
N10 C15 1.3427 . ?_??? ?
N10 C5 1.3552 . ?_??? ?
N10 N9 2.3548 . ?_??? ?
N10 C2 2.3845 . ?_??? ?
N10 C20 2.4051 . ?_??? ?
N10 N11 2.4252 . ?_??? ?
N10 O34 2.6846 . ?_??? ?
N10 C6 2.7726 . ?_??? ?
N10 C26 2.7872 . ?_??? ?
N10 C7 3.5378 . ?_??? ?
N10 C5 3.5474 . ?_??? ?
N10 C1 3.6665 . ?_??? ?
N10 C25 3.6922 . ?_??? ?
N10 C2 3.7115 . ?_??? ?
N10 Na32 3.7253 . ?_??? ?
N10 N10 3.7381 . ?_??? ?
N10 N10 3.7381 . ?_??? ?
N10 Na32 3.7939 . ?_??? ?
N11 C15 1.3424 . ?_??? ?
N11 C6 1.3545 . ?_??? ?
N11 O34 1.5173 . ?_??? ?
N11 N12 2.3336 . ?_??? ?
N11 C2 2.3879 . ?_??? ?
N11 C20 2.3977 . ?_??? ?
N11 N10 2.4252 . ?_??? ?
N11 C5 2.7802 . ?_??? ?
N11 C25 2.8002 . ?_??? ?
N11 C6 3.4734 . ?_??? ?
N11 C8 3.5288 . ?_??? ?
N11 N12 3.6152 . ?_??? ?
N11 C1 3.6596 . ?_??? ?
N11 C26 3.675 . ?_??? ?
N11 C15 3.73 . ?_??? ?
N11 N11 3.7381 . ?_??? ?
N11 N11 3.7381 . ?_??? ?
N12 C8 1.3437 . ?_??? ?
N12 C6 1.3467 . ?_??? ?
N12 O34 1.4613 . ?_??? ?
N12 N11 2.3336 . ?_??? ?
N12 C2 2.38 . ?_??? ?
N12 C14 2.3879 . ?_??? ?
N12 N4 2.4217 . ?_??? ?
N12 C1 2.7681 . ?_??? ?
N12 C19 2.776 . ?_??? ?
N12 C8 3.4861 . ?_??? ?
N12 C15 3.52 . ?_??? ?
N12 O37 3.5496 . ?_??? ?
N12 C14 3.5691 . ?_??? ?
N12 N11 3.6152 . ?_??? ?
N12 C6 3.6306 . ?_??? ?
N12 C5 3.6536 . ?_??? ?
N12 C18 3.6669 . ?_??? ?
N12 O34 3.6852 . ?_??? ?
N12 N12 3.7381 . ?_??? ?
N12 N12 3.7381 . ?_??? ?
N12 C19 3.7613 . ?_??? ?
C13 C16 1.3929 . ?_??? ?
C13 C17 1.3938 . ?_??? ?
C13 C7 1.4901 . ?_??? ?
C13 C21 2.3924 . ?_??? ?
C13 C22 2.3957 . ?_??? ?
C13 N3 2.3969 . ?_??? ?
C13 N9 2.3969 . ?_??? ?
C13 N27 2.8096 . ?_??? ?
C13 C17 3.599 . ?_??? ?
C13 C1 3.6256 . ?_??? ?
C13 C5 3.6314 . ?_??? ?
C13 C13 3.7381 . ?_??? ?
C13 C13 3.7381 . ?_??? ?
C14 C18 1.3874 . ?_??? ?
C14 C19 1.3941 . ?_??? ?
C14 C8 1.4882 . ?_??? ?
C14 N12 2.3879 . ?_??? ?
C14 C24 2.3901 . ?_??? ?
C14 C23 2.3934 . ?_??? ?
C14 N4 2.4028 . ?_??? ?
C14 N28 2.8063 . ?_??? ?
C14 N12 3.5691 . ?_??? ?
C14 C8 3.5885 . ?_??? ?
C14 C6 3.6178 . ?_??? ?
C14 C1 3.6308 . ?_??? ?
C14 O34 3.6433 . ?_??? ?
C14 C18 3.6508 . ?_??? ?
C14 C14 3.7381 . ?_??? ?
C14 C14 3.7381 . ?_??? ?
C14 C23 3.7742 . ?_??? ?
C15 N11 1.3424 . ?_??? ?
C15 N10 1.3427 . ?_??? ?
C15 C20 1.4967 . ?_??? ?
C15 C6 2.276 . ?_??? ?
C15 C5 2.2819 . ?_??? ?
C15 O34 2.3126 . ?_??? ?
C15 C26 2.5075 . ?_??? ?
C15 C25 2.5249 . ?_??? ?
C15 C2 2.631 . ?_??? ?
C15 N12 3.52 . ?_??? ?
C15 N9 3.5412 . ?_??? ?
C15 C20 3.6046 . ?_??? ?
C15 C6 3.6807 . ?_??? ?
C15 N11 3.73 . ?_??? ?
C15 C15 3.7381 . ?_??? ?
C15 C15 3.7381 . ?_??? ?
C15 C2 3.7662 . ?_??? ?
C15 C30 3.7737 . ?_??? ?
C15 C29 3.7895 . ?_??? ?
C16 C21 1.3858 . ?_??? ?
C16 C13 1.3929 . ?_??? ?
C16 C17 2.3857 . ?_??? ?
C16 N27 2.4077 . ?_??? ?
C16 C7 2.5126 . ?_??? ?
C16 C22 2.714 . ?_??? ?
C16 N9 2.7959 . ?_??? ?
C16 N3 3.6823 . ?_??? ?
C16 C16 3.7381 . ?_??? ?
C16 C16 3.7381 . ?_??? ?
C16 C21 3.7535 . ?_??? ?
C16 C23 3.7881 . ?_??? ?
C17 C22 1.388 . ?_??? ?
C17 C13 1.3938 . ?_??? ?
C17 C16 2.3857 . ?_??? ?
C17 N27 2.405 . ?_??? ?
C17 C7 2.5094 . ?_??? ?
C17 C21 2.7113 . ?_??? ?
C17 N3 2.7784 . ?_??? ?
C17 C13 3.599 . ?_??? ?
C17 N9 3.6792 . ?_??? ?
C17 C17 3.7381 . ?_??? ?
C17 C17 3.7381 . ?_??? ?
C17 C22 3.7754 . ?_??? ?
C18 C14 1.3874 . ?_??? ?
C18 C23 1.3883 . ?_??? ?
C18 C19 2.3801 . ?_??? ?
C18 N28 2.3999 . ?_??? ?
C18 C8 2.5085 . ?_??? ?
C18 C24 2.7042 . ?_??? ?
C18 N4 2.8103 . ?_??? ?
C18 C23 3.6075 . ?_??? ?
C18 C14 3.6508 . ?_??? ?
C18 N12 3.6669 . ?_??? ?
C18 C18 3.7381 . ?_??? ?
C18 C18 3.7381 . ?_??? ?
C18 C8 3.7928 . ?_??? ?
C19 C24 1.3832 . ?_??? ?
C19 C14 1.3941 . ?_??? ?
C19 C18 2.3801 . ?_??? ?
C19 N28 2.4044 . ?_??? ?
C19 C8 2.5079 . ?_??? ?
C19 C23 2.7111 . ?_??? ?
C19 N12 2.776 . ?_??? ?
C19 O37 3.3789 . ?_??? ?
C19 C24 3.5951 . ?_??? ?
C19 N4 3.6792 . ?_??? ?
C19 C19 3.7381 . ?_??? ?
C19 C19 3.7381 . ?_??? ?
C19 N12 3.7613 . ?_??? ?
C19 N28 3.7874 . ?_??? ?
C20 C26 1.3883 . ?_??? ?
C20 C25 1.3938 . ?_??? ?
C20 C15 1.4967 . ?_??? ?
C20 C30 2.3932 . ?_??? ?
C20 N11 2.3977 . ?_??? ?
C20 C29 2.4016 . ?_??? ?
C20 N10 2.4051 . ?_??? ?
C20 N31 2.8154 . ?_??? ?
C20 C15 3.6046 . ?_??? ?
C20 C6 3.6286 . ?_??? ?
C20 C5 3.6392 . ?_??? ?
C20 C26 3.6917 . ?_??? ?
C20 O34 3.7136 . ?_??? ?
C20 C20 3.7381 . ?_??? ?
C20 C20 3.7381 . ?_??? ?
C21 N27 1.3414 . ?_??? ?
C21 C16 1.3858 . ?_??? ?
C21 C22 2.2782 . ?_??? ?
C21 C13 2.3924 . ?_??? ?
C21 C17 2.7113 . ?_??? ?
C21 O36 3.2919 . ?_??? ?
C21 O35 3.2938 . ?_??? ?
C21 C23 3.5451 . ?_??? ?
C21 N27 3.5568 . ?_??? ?
C21 C21 3.7381 . ?_??? ?
C21 C21 3.7381 . ?_??? ?
C21 C16 3.7535 . ?_??? ?
C21 C7 3.7702 . ?_??? ?
C22 N27 1.337 . ?_??? ?
C22 C17 1.388 . ?_??? ?
C22 C21 2.2782 . ?_??? ?
C22 C13 2.3957 . ?_??? ?
C22 C16 2.714 . ?_??? ?
C22 O36 3.2602 . ?_??? ?
C22 O35 3.2618 . ?_??? ?
C22 C30 3.5978 . ?_??? ?
C22 C22 3.7381 . ?_??? ?
C22 C22 3.7381 . ?_??? ?
C22 C30 3.7504 . ?_??? ?
C22 C7 3.7707 . ?_??? ?
C22 C17 3.7754 . ?_??? ?
C23 N28 1.3327 . ?_??? ?
C23 C18 1.3883 . ?_??? ?
C23 C24 2.2734 . ?_??? ?
C23 C14 2.3934 . ?_??? ?
C23 C19 2.7111 . ?_??? ?
C23 C21 3.5451 . ?_??? ?
C23 C18 3.6075 . ?_??? ?
C23 C23 3.7381 . ?_??? ?
C23 C23 3.7381 . ?_??? ?
C23 C8 3.7715 . ?_??? ?
C23 C14 3.7742 . ?_??? ?
C23 C16 3.7881 . ?_??? ?
C24 N28 1.3392 . ?_??? ?
C24 C19 1.3832 . ?_??? ?
C24 C23 2.2734 . ?_??? ?
C24 C14 2.3901 . ?_??? ?
C24 C18 2.7042 . ?_??? ?
C24 C19 3.5951 . ?_??? ?
C24 N28 3.6494 . ?_??? ?
C24 C24 3.7381 . ?_??? ?
C24 C24 3.7381 . ?_??? ?
C24 C8 3.7646 . ?_??? ?
C25 C29 1.392 . ?_??? ?
C25 C20 1.3938 . ?_??? ?
C25 C26 2.3795 . ?_??? ?
C25 N31 2.4082 . ?_??? ?
C25 C15 2.5249 . ?_??? ?
C25 C30 2.7077 . ?_??? ?
C25 N11 2.8002 . ?_??? ?
C25 C29 3.6323 . ?_??? ?
C25 N10 3.6922 . ?_??? ?
C25 C25 3.7381 . ?_??? ?
C25 C25 3.7381 . ?_??? ?
C26 C20 1.3883 . ?_??? ?
C26 C30 1.3888 . ?_??? ?
C26 C25 2.3795 . ?_??? ?
C26 N31 2.4097 . ?_??? ?
C26 C15 2.5075 . ?_??? ?
C26 C29 2.7137 . ?_??? ?
C26 N10 2.7872 . ?_??? ?
C26 Na33 3.4777 . ?_??? ?
C26 C30 3.6442 . ?_??? ?
C26 N11 3.675 . ?_??? ?
C26 C20 3.6917 . ?_??? ?
C26 C26 3.7381 . ?_??? ?
C26 C26 3.7381 . ?_??? ?
N27 C22 1.337 . ?_??? ?
N27 C21 1.3414 . ?_??? ?
N27 O36 2.3681 . ?_??? ?
N27 O35 2.3699 . ?_??? ?
N27 C17 2.405 . ?_??? ?
N27 C16 2.4077 . ?_??? ?
N27 C13 2.8096 . ?_??? ?
N27 C21 3.5568 . ?_??? ?
N27 N27 3.7381 . ?_??? ?
N27 N27 3.7381 . ?_??? ?
N28 C23 1.3327 . ?_??? ?
N28 C24 1.3392 . ?_??? ?
N28 C18 2.3999 . ?_??? ?
N28 C19 2.4044 . ?_??? ?
N28 C14 2.8063 . ?_??? ?
N28 C24 3.6494 . ?_??? ?
N28 N28 3.7381 . ?_??? ?
N28 N28 3.7381 . ?_??? ?
N28 C19 3.7874 . ?_??? ?
C29 N31 1.3386 . ?_??? ?
C29 C25 1.392 . ?_??? ?
C29 C30 2.2757 . ?_??? ?
C29 C20 2.4016 . ?_??? ?
C29 C26 2.7137 . ?_??? ?
C29 C25 3.6323 . ?_??? ?
C29 N31 3.6784 . ?_??? ?
C29 C29 3.7381 . ?_??? ?
C29 C29 3.7381 . ?_??? ?
C29 C15 3.7895 . ?_??? ?
C30 N31 1.3387 . ?_??? ?
C30 C26 1.3888 . ?_??? ?
C30 C29 2.2757 . ?_??? ?
C30 C20 2.3932 . ?_??? ?
C30 C25 2.7077 . ?_??? ?
C30 C22 3.5978 . ?_??? ?
C30 C26 3.6442 . ?_??? ?
C30 C30 3.7381 . ?_??? ?
C30 C30 3.7381 . ?_??? ?
C30 C22 3.7504 . ?_??? ?
C30 C15 3.7737 . ?_??? ?
N31 C29 1.3386 . ?_??? ?
N31 C30 1.3387 . ?_??? ?
N31 C25 2.4082 . ?_??? ?
N31 C26 2.4097 . ?_??? ?
N31 C20 2.8154 . ?_??? ?
N31 C29 3.6784 . ?_??? ?
N31 N31 3.7381 . ?_??? ?
N31 N31 3.7381 . ?_??? ?
Na32 Na33 1.7207 . ?_??? ?
Na32 Na33 3.1499 . ?_??? ?
Na32 N9 3.6644 . ?_??? ?
Na32 N10 3.7253 . ?_??? ?
Na32 Na32 3.7381 . ?_??? ?
Na32 Na32 3.7381 . ?_??? ?
Na32 N4 3.7588 . ?_??? ?
Na32 N10 3.7939 . ?_??? ?
Na33 Na32 1.7207 . ?_??? ?
Na33 Na32 3.1499 . ?_??? ?
Na33 N4 3.3251 . ?_??? ?
Na33 N3 3.3345 . ?_??? ?
Na33 N3 3.4235 . ?_??? ?
Na33 C26 3.4777 . ?_??? ?
Na33 N4 3.5638 . ?_??? ?
Na33 C1 3.6754 . ?_??? ?
Na33 Na33 3.7381 . ?_??? ?
Na33 Na33 3.7381 . ?_??? ?
O34 C6 0.2484 . ?_??? ?
O34 C2 1.1547 . ?_??? ?
O34 N12 1.4613 . ?_??? ?
O34 N11 1.5173 . ?_??? ?
O34 C1 2.1942 . ?_??? ?
O34 C5 2.2316 . ?_??? ?
O34 C8 2.2523 . ?_??? ?
O34 C15 2.3126 . ?_??? ?
O34 N4 2.6315 . ?_??? ?
O34 N10 2.6846 . ?_??? ?
O34 N3 3.4082 . ?_??? ?
O34 N9 3.4377 . ?_??? ?
O34 C8 3.5907 . ?_??? ?
O34 C14 3.6433 . ?_??? ?
O34 N12 3.6852 . ?_??? ?
O34 N4 3.7047 . ?_??? ?
O34 C20 3.7136 . ?_??? ?
O34 O34 3.7381 . ?_??? ?
O34 O34 3.7381 . ?_??? ?
O34 C6 3.7567 . ?_??? ?
O34 C7 3.7766 . ?_??? ?
O34 C2 3.7788 . ?_??? ?
O34 C1 3.786 . ?_??? ?
O35 O36 0.0024 . ?_??? ?
O35 N27 2.3699 . ?_??? ?
O35 O35 2.7442 . ?_??? ?
O35 O36 2.7462 . ?_??? ?
O35 O36 3.0533 . ?_??? ?
O35 O35 3.0536 . ?_??? ?
O35 C22 3.2618 . ?_??? ?
O35 C21 3.2938 . ?_??? ?
O35 O36 3.7363 . ?_??? ?
O35 O35 3.7381 . ?_??? ?
O35 O35 3.7381 . ?_??? ?
O35 O36 3.7399 . ?_??? ?
O36 O35 0.0024 . ?_??? ?
O36 N27 2.3681 . ?_??? ?
O36 O35 2.7462 . ?_??? ?
O36 O36 2.7483 . ?_??? ?
O36 O36 3.053 . ?_??? ?
O36 O35 3.0533 . ?_??? ?
O36 C22 3.2602 . ?_??? ?
O36 C21 3.2919 . ?_??? ?
O36 O35 3.7363 . ?_??? ?
O36 O36 3.7381 . ?_??? ?
O36 O36 3.7381 . ?_??? ?
O36 O35 3.7399 . ?_??? ?
O37 O37 1.2823 . ?_??? ?
O37 O37 3.0153 . ?_??? ?
O37 C19 3.3789 . ?_??? ?
O37 N12 3.5496 . ?_??? ?
O37 O37 3.7381 . ?_??? ?
O37 O37 3.7381 . ?_??? ?

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 C1 N4 119.9856 ?_??? . ?_??? ?
N3 C1 C2 119.7215 ?_??? . ?_??? ?
N3 C1 O34 147.2139 ?_??? . ?_??? ?
N3 C1 C8 152.1497 ?_??? . ?_??? ?
N3 C1 C7 32.3239 ?_??? . ?_??? ?
N3 C1 C6 149.7845 ?_??? . ?_??? ?
N3 C1 C5 90.0146 ?_??? . ?_??? ?
N3 C1 N12 177.3506 ?_??? . ?_??? ?
N3 C1 N9 60.8575 ?_??? . ?_??? ?
N3 C1 C2 98.4425 ?_??? . ?_??? ?
N3 C1 N4 103.6281 ?_??? . ?_??? ?
N3 C1 C13 19.5799 ?_??? . ?_??? ?
N3 C1 C14 139.9402 ?_??? . ?_??? ?
N3 C1 N11 139.2816 ?_??? . ?_??? ?
N3 C1 N10 100.7972 ?_??? . ?_??? ?
N3 C1 Na33 64.883 ?_??? . ?_??? ?
N3 C1 C5 87.3011 ?_??? . ?_??? ?
N3 C1 C1 92.6924 ?_??? . ?_??? ?
N3 C1 C1 87.3076 ?_??? . ?_??? ?
N3 C1 O34 116.1577 ?_??? . ?_??? ?
N4 C1 C2 120.2885 ?_??? . ?_??? ?
N4 C1 O34 92.6691 ?_??? . ?_??? ?
N4 C1 C8 32.193 ?_??? . ?_??? ?
N4 C1 C7 152.2721 ?_??? . ?_??? ?
N4 C1 C6 90.1368 ?_??? . ?_??? ?
N4 C1 C5 149.9994 ?_??? . ?_??? ?
N4 C1 N12 61.0276 ?_??? . ?_??? ?
N4 C1 N9 178.6434 ?_??? . ?_??? ?
N4 C1 C2 85.1776 ?_??? . ?_??? ?
N4 C1 N4 84.4501 ?_??? . ?_??? ?
N4 C1 C13 139.423 ?_??? . ?_??? ?
N4 C1 C14 19.9562 ?_??? . ?_??? ?
N4 C1 N11 100.6339 ?_??? . ?_??? ?
N4 C1 N10 139.2172 ?_??? . ?_??? ?
N4 C1 Na33 74.6085 ?_??? . ?_??? ?
N4 C1 C5 107.2619 ?_??? . ?_??? ?
N4 C1 C1 105.5847 ?_??? . ?_??? ?
N4 C1 C1 74.4153 ?_??? . ?_??? ?
N4 C1 O34 76.2153 ?_??? . ?_??? ?
C2 C1 O34 27.7056 ?_??? . ?_??? ?
C2 C1 C8 88.1001 ?_??? . ?_??? ?
C2 C1 C7 87.4302 ?_??? . ?_??? ?
C2 C1 C6 30.1964 ?_??? . ?_??? ?
C2 C1 C5 29.7202 ?_??? . ?_??? ?
C2 C1 N12 59.2931 ?_??? . ?_??? ?
C2 C1 N9 58.8943 ?_??? . ?_??? ?
C2 C1 C2 87.0931 ?_??? . ?_??? ?
C2 C1 N4 81.4269 ?_??? . ?_??? ?
C2 C1 C13 100.261 ?_??? . ?_??? ?
C2 C1 C14 100.3373 ?_??? . ?_??? ?
C2 C1 N11 19.7593 ?_??? . ?_??? ?
C2 C1 N10 18.9385 ?_??? . ?_??? ?
C2 C1 Na33 132.9199 ?_??? . ?_??? ?
C2 C1 C5 76.1325 ?_??? . ?_??? ?
C2 C1 C1 70.9148 ?_??? . ?_??? ?
C2 C1 C1 109.0852 ?_??? . ?_??? ?
C2 C1 O34 79.0318 ?_??? . ?_??? ?
O34 C1 C8 60.4842 ?_??? . ?_??? ?
O34 C1 C7 115.0567 ?_??? . ?_??? ?
O34 C1 C6 2.5979 ?_??? . ?_??? ?
O34 C1 C5 57.3905 ?_??? . ?_??? ?
O34 C1 N12 31.6424 ?_??? . ?_??? ?
O34 C1 N9 86.5523 ?_??? . ?_??? ?
O34 C1 C2 86.3365 ?_??? . ?_??? ?
O34 C1 N4 74.7448 ?_??? . ?_??? ?
O34 C1 C13 127.9078 ?_??? . ?_??? ?
O34 C1 C14 72.7553 ?_??? . ?_??? ?
O34 C1 N11 7.9657 ?_??? . ?_??? ?
O34 C1 N10 46.624 ?_??? . ?_??? ?
O34 C1 Na33 127.992 ?_??? . ?_??? ?
O34 C1 C5 85.4281 ?_??? . ?_??? ?
O34 C1 C1 74.2459 ?_??? . ?_??? ?
O34 C1 C1 105.7541 ?_??? . ?_??? ?
O34 C1 O34 71.8519 ?_??? . ?_??? ?
C8 C1 C7 175.5264 ?_??? . ?_??? ?
C8 C1 C6 57.9461 ?_??? . ?_??? ?
C8 C1 C5 117.8188 ?_??? . ?_??? ?
C8 C1 N12 28.8427 ?_??? . ?_??? ?
C8 C1 N9 146.9879 ?_??? . ?_??? ?
C8 C1 C2 83.1817 ?_??? . ?_??? ?
C8 C1 N4 77.6702 ?_??? . ?_??? ?
C8 C1 C13 171.5823 ?_??? . ?_??? ?
C8 C1 C14 12.2819 ?_??? . ?_??? ?
C8 C1 N11 68.447 ?_??? . ?_??? ?
C8 C1 N10 107.0353 ?_??? . ?_??? ?
C8 C1 Na33 96.0654 ?_??? . ?_??? ?
C8 C1 C5 101.8319 ?_??? . ?_??? ?
C8 C1 C1 95.7339 ?_??? . ?_??? ?
C8 C1 C1 84.2661 ?_??? . ?_??? ?
C8 C1 O34 67.4081 ?_??? . ?_??? ?
C7 C1 C6 117.5911 ?_??? . ?_??? ?
C7 C1 C5 57.7107 ?_??? . ?_??? ?
C7 C1 N12 146.6991 ?_??? . ?_??? ?
C7 C1 N9 28.5398 ?_??? . ?_??? ?
C7 C1 C2 96.4027 ?_??? . ?_??? ?
C7 C1 N4 101.8254 ?_??? . ?_??? ?
C7 C1 C13 12.8553 ?_??? . ?_??? ?
C7 C1 C14 172.1362 ?_??? . ?_??? ?
C7 C1 N11 107.0927 ?_??? . ?_??? ?
C7 C1 N10 68.4939 ?_??? . ?_??? ?
C7 C1 Na33 87.1242 ?_??? . ?_??? ?
C7 C1 C5 76.8979 ?_??? . ?_??? ?
C7 C1 C1 82.9732 ?_??? . ?_??? ?
C7 C1 C1 97.0268 ?_??? . ?_??? ?
C7 C1 O34 111.4834 ?_??? . ?_??? ?
C6 C1 C5 59.903 ?_??? . ?_??? ?
C6 C1 N12 29.1108 ?_??? . ?_??? ?
C6 C1 N9 89.0729 ?_??? . ?_??? ?
C6 C1 C2 85.5409 ?_??? . ?_??? ?
C6 C1 N4 75.0508 ?_??? . ?_??? ?
C6 C1 C13 130.4373 ?_??? . ?_??? ?
C6 C1 C14 70.2112 ?_??? . ?_??? ?
C6 C1 N11 10.507 ?_??? . ?_??? ?
C6 C1 N10 49.1287 ?_??? . ?_??? ?
C6 C1 Na33 127.7385 ?_??? . ?_??? ?
C6 C1 C5 85.6232 ?_??? . ?_??? ?
C6 C1 C1 75.4921 ?_??? . ?_??? ?
C6 C1 C1 104.5079 ?_??? . ?_??? ?
C6 C1 O34 70.6336 ?_??? . ?_??? ?
C5 C1 N12 89.0097 ?_??? . ?_??? ?
C5 C1 N9 29.1743 ?_??? . ?_??? ?
C5 C1 C2 90.5361 ?_??? . ?_??? ?
C5 C1 N4 88.7703 ?_??? . ?_??? ?
C5 C1 C13 70.5417 ?_??? . ?_??? ?
C5 C1 C14 130.0434 ?_??? . ?_??? ?
C5 C1 N11 49.4265 ?_??? . ?_??? ?
C5 C1 N10 10.7836 ?_??? . ?_??? ?
C5 C1 Na33 123.6143 ?_??? . ?_??? ?
C5 C1 C5 71.4436 ?_??? . ?_??? ?
C5 C1 C1 70.4584 ?_??? . ?_??? ?
C5 C1 C1 109.5416 ?_??? . ?_??? ?
C5 C1 O34 91.0276 ?_??? . ?_??? ?
N12 C1 N9 118.1824 ?_??? . ?_??? ?
N12 C1 C2 84.0308 ?_??? . ?_??? ?
N12 C1 N4 73.8899 ?_??? . ?_??? ?
N12 C1 C13 159.548 ?_??? . ?_??? ?
N12 C1 C14 41.1182 ?_??? . ?_??? ?
N12 C1 N11 39.6065 ?_??? . ?_??? ?
N12 C1 N10 78.2311 ?_??? . ?_??? ?
N12 C1 Na33 113.7437 ?_??? . ?_??? ?
N12 C1 C5 94.7212 ?_??? . ?_??? ?
N12 C1 C1 84.6599 ?_??? . ?_??? ?
N12 C1 C1 95.3401 ?_??? . ?_??? ?
N12 C1 O34 66.328 ?_??? . ?_??? ?
N9 C1 C2 93.661 ?_??? . ?_??? ?
N9 C1 N4 96.4088 ?_??? . ?_??? ?
N9 C1 C13 41.3676 ?_??? . ?_??? ?
N9 C1 C14 159.169 ?_??? . ?_??? ?
N9 C1 N11 78.5866 ?_??? . ?_??? ?
N9 C1 N10 39.9563 ?_??? . ?_??? ?
N9 C1 Na33 106.7452 ?_??? . ?_??? ?
N9 C1 C5 71.5778 ?_??? . ?_??? ?
N9 C1 C1 75.2777 ?_??? . ?_??? ?
N9 C1 C1 104.7223 ?_??? . ?_??? ?
N9 C1 O34 102.478 ?_??? . ?_??? ?
C2 C1 N4 157.9179 ?_??? . ?_??? ?
C2 C1 C13 96.1727 ?_??? . ?_??? ?
C2 C1 C14 82.8783 ?_??? . ?_??? ?
C2 C1 N11 86.9453 ?_??? . ?_??? ?
C2 C1 N10 89.0908 ?_??? . ?_??? ?
C2 C1 Na33 139.9866 ?_??? . ?_??? ?
C2 C1 C5 22.0844 ?_??? . ?_??? ?
C2 C1 C1 158.0079 ?_??? . ?_??? ?
C2 C1 C1 21.9921 ?_??? . ?_??? ?
C2 C1 O34 17.7246 ?_??? . ?_??? ?
N4 C1 C13 104.3706 ?_??? . ?_??? ?
N4 C1 C14 80.7292 ?_??? . ?_??? ?
N4 C1 N11 75.9093 ?_??? . ?_??? ?
N4 C1 N10 86.1281 ?_??? . ?_??? ?
N4 C1 Na33 54.2415 ?_??? . ?_??? ?
N4 C1 C5 157.554 ?_??? . ?_??? ?
N4 C1 C1 21.1346 ?_??? . ?_??? ?
N4 C1 C1 158.8654 ?_??? . ?_??? ?
N4 C1 O34 140.2141 ?_??? . ?_??? ?
C13 C1 C14 159.3028 ?_??? . ?_??? ?
C13 C1 N11 119.9429 ?_??? . ?_??? ?
C13 C1 N10 81.3224 ?_??? . ?_??? ?
C13 C1 Na33 78.9989 ?_??? . ?_??? ?
C13 C1 C5 79.4589 ?_??? . ?_??? ?
C13 C1 C1 87.9969 ?_??? . ?_??? ?
C13 C1 C1 92.0031 ?_??? . ?_??? ?
C13 C1 O34 112.9906 ?_??? . ?_??? ?
C14 C1 N11 80.7155 ?_??? . ?_??? ?
C14 C1 N10 119.2618 ?_??? . ?_??? ?
C14 C1 Na33 88.4356 ?_??? . ?_??? ?
C14 C1 C5 103.6228 ?_??? . ?_??? ?
C14 C1 C1 100.6377 ?_??? . ?_??? ?
C14 C1 C1 79.3623 ?_??? . ?_??? ?
C14 C1 O34 69.2635 ?_??? . ?_??? ?
N11 C1 N10 38.6635 ?_??? . ?_??? ?
N11 C1 Na33 130.0928 ?_??? . ?_??? ?
N11 C1 C5 83.0164 ?_??? . ?_??? ?
N11 C1 C1 72.3946 ?_??? . ?_??? ?
N11 C1 C1 107.6054 ?_??? . ?_??? ?
N11 C1 O34 74.0187 ?_??? . ?_??? ?
N10 C1 Na33 128.4231 ?_??? . ?_??? ?
N10 C1 C5 72.453 ?_??? . ?_??? ?
N10 C1 C1 70.1445 ?_??? . ?_??? ?
N10 C1 C1 109.8555 ?_??? . ?_??? ?
N10 C1 O34 86.4067 ?_??? . ?_??? ?
Na33 C1 C5 146.578 ?_??? . ?_??? ?
Na33 C1 C1 62.0054 ?_??? . ?_??? ?
Na33 C1 C1 117.9946 ?_??? . ?_??? ?
Na33 C1 O34 145.1036 ?_??? . ?_??? ?
C5 C1 C1 141.902 ?_??? . ?_??? ?
C5 C1 C1 38.0981 ?_??? . ?_??? ?
C5 C1 O34 34.5944 ?_??? . ?_??? ?
C1 C1 C1 180 ?_??? . ?_??? ?
C1 C1 O34 146.0978 ?_??? . ?_??? ?
C1 C1 O34 33.9022 ?_??? . ?_??? ?
O34 C2 C6 2.0875 ?_??? . ?_??? ?
O34 C2 C5 121.4215 ?_??? . ?_??? ?
O34 C2 C1 117.9363 ?_??? . ?_??? ?
O34 C2 N3 147.2184 ?_??? . ?_??? ?
O34 C2 N12 27.787 ?_??? . ?_??? ?
O34 C2 N9 150.994 ?_??? . ?_??? ?
O34 C2 N10 91.9575 ?_??? . ?_??? ?
O34 C2 N11 30.874 ?_??? . ?_??? ?
O34 C2 N4 88.74 ?_??? . ?_??? ?
O34 C2 C7 175.9238 ?_??? . ?_??? ?
O34 C2 C15 61.4108 ?_??? . ?_??? ?
O34 C2 C8 58.3345 ?_??? . ?_??? ?
O34 C2 C1 93.4317 ?_??? . ?_??? ?
O34 C2 C5 108.8113 ?_??? . ?_??? ?
O34 C2 N4 82.23 ?_??? . ?_??? ?
O34 C2 N10 98.1533 ?_??? . ?_??? ?
O34 C2 C2 83.1642 ?_??? . ?_??? ?
O34 C2 C2 96.8358 ?_??? . ?_??? ?
O34 C2 C15 77.517 ?_??? . ?_??? ?
O34 C2 O34 79.1738 ?_??? . ?_??? ?
C6 C2 C5 119.8941 ?_??? . ?_??? ?
C6 C2 C1 119.5382 ?_??? . ?_??? ?
C6 C2 N3 148.9227 ?_??? . ?_??? ?
C6 C2 N12 29.2803 ?_??? . ?_??? ?
C6 C2 N9 149.5396 ?_??? . ?_??? ?
C6 C2 N10 90.3861 ?_??? . ?_??? ?
C6 C2 N11 29.3257 ?_??? . ?_??? ?
C6 C2 N4 90.2929 ?_??? . ?_??? ?
C6 C2 C7 177.6678 ?_??? . ?_??? ?
C6 C2 C15 59.8333 ?_??? . ?_??? ?
C6 C2 C8 59.8478 ?_??? . ?_??? ?
C6 C2 C1 94.7995 ?_??? . ?_??? ?
C6 C2 C5 107.455 ?_??? . ?_??? ?
C6 C2 N4 84.028 ?_??? . ?_??? ?
C6 C2 N10 96.3598 ?_??? . ?_??? ?
C6 C2 C2 83.9333 ?_??? . ?_??? ?
C6 C2 C2 96.0667 ?_??? . ?_??? ?
C6 C2 C15 75.7503 ?_??? . ?_??? ?
C6 C2 O34 78.415 ?_??? . ?_??? ?
C5 C2 C1 120.527 ?_??? . ?_??? ?
C5 C2 N3 91.028 ?_??? . ?_??? ?
C5 C2 N12 149.173 ?_??? . ?_??? ?
C5 C2 N9 29.676 ?_??? . ?_??? ?
C5 C2 N10 29.5382 ?_??? . ?_??? ?
C5 C2 N11 90.5707 ?_??? . ?_??? ?
C5 C2 N4 149.807 ?_??? . ?_??? ?
C5 C2 C7 60.2106 ?_??? . ?_??? ?
C5 C2 C15 60.0726 ?_??? . ?_??? ?
C5 C2 C8 179.455 ?_??? . ?_??? ?
C5 C2 C1 86.1571 ?_??? . ?_??? ?
C5 C2 C5 82.8864 ?_??? . ?_??? ?
C5 C2 N4 107.6697 ?_??? . ?_??? ?
C5 C2 N10 72.3467 ?_??? . ?_??? ?
C5 C2 C2 75.2928 ?_??? . ?_??? ?
C5 C2 C2 104.7072 ?_??? . ?_??? ?
C5 C2 C15 84.4603 ?_??? . ?_??? ?
C5 C2 O34 114.2331 ?_??? . ?_??? ?
C1 C2 N3 29.5121 ?_??? . ?_??? ?
C1 C2 N12 90.2861 ?_??? . ?_??? ?
C1 C2 N9 90.8513 ?_??? . ?_??? ?
C1 C2 N10 150.0633 ?_??? . ?_??? ?
C1 C2 N11 148.7951 ?_??? . ?_??? ?
C1 C2 N4 29.2891 ?_??? . ?_??? ?
C1 C2 C7 60.3174 ?_??? . ?_??? ?
C1 C2 C15 178.8912 ?_??? . ?_??? ?
C1 C2 C8 59.7526 ?_??? . ?_??? ?
C1 C2 C1 87.0931 ?_??? . ?_??? ?
C1 C2 C5 81.9379 ?_??? . ?_??? ?
C1 C2 N4 76.4463 ?_??? . ?_??? ?
C1 C2 N10 103.1453 ?_??? . ?_??? ?
C1 C2 C2 109.0852 ?_??? . ?_??? ?
C1 C2 C2 70.9148 ?_??? . ?_??? ?
C1 C2 C15 111.9569 ?_??? . ?_??? ?
C1 C2 O34 79.613 ?_??? . ?_??? ?
N3 C2 N12 119.758 ?_??? . ?_??? ?
N3 C2 N9 61.3593 ?_??? . ?_??? ?
N3 C2 N10 120.5653 ?_??? . ?_??? ?
N3 C2 N11 176.0256 ?_??? . ?_??? ?
N3 C2 N4 58.7997 ?_??? . ?_??? ?
N3 C2 C7 30.822 ?_??? . ?_??? ?
N3 C2 C15 151.0379 ?_??? . ?_??? ?
N3 C2 C8 89.2581 ?_??? . ?_??? ?
N3 C2 C1 83.503 ?_??? . ?_??? ?
N3 C2 C5 77.4067 ?_??? . ?_??? ?
N3 C2 N4 83.4673 ?_??? . ?_??? ?
N3 C2 N10 96.0784 ?_??? . ?_??? ?
N3 C2 C2 102.6645 ?_??? . ?_??? ?
N3 C2 C2 77.3355 ?_??? . ?_??? ?
N3 C2 C15 113.179 ?_??? . ?_??? ?
N3 C2 O34 92.2939 ?_??? . ?_??? ?
N12 C2 N9 178.5938 ?_??? . ?_??? ?
N12 C2 N10 119.6496 ?_??? . ?_??? ?
N12 C2 N11 58.6058 ?_??? . ?_??? ?
N12 C2 N4 61.0183 ?_??? . ?_??? ?
N12 C2 C7 150.5761 ?_??? . ?_??? ?
N12 C2 C15 89.103 ?_??? . ?_??? ?
N12 C2 C8 30.5675 ?_??? . ?_??? ?
N12 C2 C1 95.2261 ?_??? . ?_??? ?
N12 C2 C5 104.0932 ?_??? . ?_??? ?
N12 C2 N4 76.7573 ?_??? . ?_??? ?
N12 C2 N10 103.4677 ?_??? . ?_??? ?
N12 C2 C2 94.8368 ?_??? . ?_??? ?
N12 C2 C2 85.1632 ?_??? . ?_??? ?
N12 C2 C15 84.5703 ?_??? . ?_??? ?
N12 C2 O34 69.2834 ?_??? . ?_??? ?
N9 C2 N10 59.2126 ?_??? . ?_??? ?
N9 C2 N11 120.2174 ?_??? . ?_??? ?
N9 C2 N4 120.1326 ?_??? . ?_??? ?
N9 C2 C7 30.5378 ?_??? . ?_??? ?
N9 C2 C15 89.7463 ?_??? . ?_??? ?
N9 C2 C8 150.5967 ?_??? . ?_??? ?
N9 C2 C1 84.0068 ?_??? . ?_??? ?
N9 C2 C5 76.8903 ?_??? . ?_??? ?
N9 C2 N4 102.7122 ?_??? . ?_??? ?
N9 C2 N10 77.072 ?_??? . ?_??? ?
N9 C2 C2 84.0091 ?_??? . ?_??? ?
N9 C2 C2 95.9909 ?_??? . ?_??? ?
N9 C2 C15 95.7679 ?_??? . ?_??? ?
N9 C2 O34 111.7459 ?_??? . ?_??? ?
N10 C2 N11 61.0838 ?_??? . ?_??? ?
N10 C2 N4 178.97 ?_??? . ?_??? ?
N10 C2 C7 89.7487 ?_??? . ?_??? ?
N10 C2 C15 30.5531 ?_??? . ?_??? ?
N10 C2 C8 150.1758 ?_??? . ?_??? ?
N10 C2 C1 89.69 ?_??? . ?_??? ?
N10 C2 C5 90.244 ?_??? . ?_??? ?
N10 C2 N4 108.3103 ?_??? . ?_??? ?
N10 C2 N10 71.9384 ?_??? . ?_??? ?
N10 C2 C2 70.728 ?_??? . ?_??? ?
N10 C2 C2 109.272 ?_??? . ?_??? ?
N10 C2 C15 74.098 ?_??? . ?_??? ?
N10 C2 O34 109.6904 ?_??? . ?_??? ?
N11 C2 N4 119.6088 ?_??? . ?_??? ?
N11 C2 C7 150.6351 ?_??? . ?_??? ?
N11 C2 C15 30.538 ?_??? . ?_??? ?
N11 C2 C8 89.1733 ?_??? . ?_??? ?
N11 C2 C1 92.975 ?_??? . ?_??? ?
N11 C2 C5 106.4076 ?_??? . ?_??? ?
N11 C2 N4 92.5802 ?_??? . ?_??? ?
N11 C2 N10 87.8739 ?_??? . ?_??? ?
N11 C2 C2 74.2404 ?_??? . ?_??? ?
N11 C2 C2 105.7596 ?_??? . ?_??? ?
N11 C2 C15 70.6036 ?_??? . ?_??? ?
N11 C2 O34 90.367 ?_??? . ?_??? ?
N4 C2 C7 89.6043 ?_??? . ?_??? ?
N4 C2 C15 150.1203 ?_??? . ?_??? ?
N4 C2 C8 30.4659 ?_??? . ?_??? ?
N4 C2 C1 91.025 ?_??? . ?_??? ?
N4 C2 C5 88.8134 ?_??? . ?_??? ?
N4 C2 N4 72.5337 ?_??? . ?_??? ?
N4 C2 N10 107.2135 ?_??? . ?_??? ?
N4 C2 C2 110.118 ?_??? . ?_??? ?
N4 C2 C2 69.882 ?_??? . ?_??? ?
N4 C2 C15 105.327 ?_??? . ?_??? ?
N4 C2 O34 69.6978 ?_??? . ?_??? ?
C7 C2 C15 120.2676 ?_??? . ?_??? ?
C7 C2 C8 120.0697 ?_??? . ?_??? ?
C7 C2 C1 82.8729 ?_??? . ?_??? ?
C7 C2 C5 74.8724 ?_??? . ?_??? ?
C7 C2 N4 93.7197 ?_??? . ?_??? ?
C7 C2 N10 85.895 ?_??? . ?_??? ?
C7 C2 C2 93.9151 ?_??? . ?_??? ?
C7 C2 C2 86.085 ?_??? . ?_??? ?
C7 C2 C15 106.5195 ?_??? . ?_??? ?
C7 C2 O34 103.7247 ?_??? . ?_??? ?
C15 C2 C8 119.6566 ?_??? . ?_??? ?
C15 C2 C1 92.0409 ?_??? . ?_??? ?
C15 C2 C5 99.1088 ?_??? . ?_??? ?
C15 C2 N4 102.5098 ?_??? . ?_??? ?
C15 C2 N10 77.9 ?_??? . ?_??? ?
C15 C2 C2 70.0504 ?_??? . ?_??? ?
C15 C2 C2 109.9496 ?_??? . ?_??? ?
C15 C2 C15 68.9043 ?_??? . ?_??? ?
C15 C2 O34 101.0284 ?_??? . ?_??? ?
C8 C2 C1 94.3366 ?_??? . ?_??? ?
C8 C2 C5 96.7246 ?_??? . ?_??? ?
C8 C2 N4 72.8239 ?_??? . ?_??? ?
C8 C2 N10 107.1617 ?_??? . ?_??? ?
C8 C2 C2 105.0957 ?_??? . ?_??? ?
C8 C2 C2 74.9043 ?_??? . ?_??? ?
C8 C2 C15 95.0006 ?_??? . ?_??? ?
C8 C2 O34 65.289 ?_??? . ?_??? ?
C1 C2 C5 157.7453 ?_??? . ?_??? ?
C1 C2 N4 21.5127 ?_??? . ?_??? ?
C1 C2 N10 158.4974 ?_??? . ?_??? ?
C1 C2 C2 21.9921 ?_??? . ?_??? ?
C1 C2 C2 158.0079 ?_??? . ?_??? ?
C1 C2 C15 160.9432 ?_??? . ?_??? ?
C1 C2 O34 159.3161 ?_??? . ?_??? ?
C5 C2 N4 158.3785 ?_??? . ?_??? ?
C5 C2 N10 21.2094 ?_??? . ?_??? ?
C5 C2 C2 158.1792 ?_??? . ?_??? ?
C5 C2 C2 21.8208 ?_??? . ?_??? ?
C5 C2 C15 35.8225 ?_??? . ?_??? ?
C5 C2 O34 34.9329 ?_??? . ?_??? ?
N4 C2 N10 179.5451 ?_??? . ?_??? ?
N4 C2 C2 37.5843 ?_??? . ?_??? ?
N4 C2 C2 142.4157 ?_??? . ?_??? ?
N4 C2 C15 159.6953 ?_??? . ?_??? ?
N4 C2 O34 137.9544 ?_??? . ?_??? ?
N10 C2 C2 142.6664 ?_??? . ?_??? ?
N10 C2 C2 37.3336 ?_??? . ?_??? ?
N10 C2 C15 20.6713 ?_??? . ?_??? ?
N10 C2 O34 41.9935 ?_??? . ?_??? ?
C2 C2 C2 180 ?_??? . ?_??? ?
C2 C2 C15 138.9547 ?_??? . ?_??? ?
C2 C2 O34 162.338 ?_??? . ?_??? ?
C2 C2 C15 41.0453 ?_??? . ?_??? ?
C2 C2 O34 17.662 ?_??? . ?_??? ?
C15 C2 O34 35.6964 ?_??? . ?_??? ?
C1 N3 C7 115.3671 ?_??? . ?_??? ?
C1 N3 N4 30.0609 ?_??? . ?_??? ?
C1 N3 C2 30.7664 ?_??? . ?_??? ?
C1 N3 C13 149.5423 ?_??? . ?_??? ?
C1 N3 N9 90.114 ?_??? . ?_??? ?
C1 N3 C17 178.2488 ?_??? . ?_??? ?
C1 N3 C5 60.9677 ?_??? . ?_??? ?
C1 N3 Na33 93.6162 ?_??? . ?_??? ?
C1 N3 O34 20.4026 ?_??? . ?_??? ?
C1 N3 Na33 96.4723 ?_??? . ?_??? ?
C1 N3 C8 17.5481 ?_??? . ?_??? ?
C1 N3 C7 101.9629 ?_??? . ?_??? ?
C1 N3 C6 19.4892 ?_??? . ?_??? ?
C1 N3 C16 139.2132 ?_??? . ?_??? ?
C1 N3 N3 87.3076 ?_??? . ?_??? ?
C1 N3 N3 92.6924 ?_??? . ?_??? ?
C1 N3 N9 92.7525 ?_??? . ?_??? ?
C7 N3 N4 145.3981 ?_??? . ?_??? ?
C7 N3 C2 84.6332 ?_??? . ?_??? ?
C7 N3 C13 34.2873 ?_??? . ?_??? ?
C7 N3 N9 25.2665 ?_??? . ?_??? ?
C7 N3 C17 64.3717 ?_??? . ?_??? ?
C7 N3 C5 54.4301 ?_??? . ?_??? ?
C7 N3 Na33 123.2052 ?_??? . ?_??? ?
C7 N3 O34 95.1296 ?_??? . ?_??? ?
C7 N3 Na33 144.1345 ?_??? . ?_??? ?
C7 N3 C8 132.9152 ?_??? . ?_??? ?
C7 N3 C7 83.6555 ?_??? . ?_??? ?
C7 N3 C6 96.0082 ?_??? . ?_??? ?
C7 N3 C16 24.2205 ?_??? . ?_??? ?
C7 N3 N3 75.3044 ?_??? . ?_??? ?
C7 N3 N3 104.6956 ?_??? . ?_??? ?
C7 N3 N9 70.5875 ?_??? . ?_??? ?
N4 N3 C2 60.8259 ?_??? . ?_??? ?
N4 N3 C13 176.9284 ?_??? . ?_??? ?
N4 N3 N9 120.1674 ?_??? . ?_??? ?
N4 N3 C17 150.104 ?_??? . ?_??? ?
N4 N3 C5 91.0285 ?_??? . ?_??? ?
N4 N3 Na33 75.5325 ?_??? . ?_??? ?
N4 N3 O34 50.4001 ?_??? . ?_??? ?
N4 N3 Na33 67.4543 ?_??? . ?_??? ?
N4 N3 C8 12.5394 ?_??? . ?_??? ?
N4 N3 C7 100.0022 ?_??? . ?_??? ?
N4 N3 C6 49.5032 ?_??? . ?_??? ?
N4 N3 C16 168.4403 ?_??? . ?_??? ?
N4 N3 N3 97.3712 ?_??? . ?_??? ?
N4 N3 N3 82.6288 ?_??? . ?_??? ?
N4 N3 N9 101.3792 ?_??? . ?_??? ?
C2 N3 C13 118.8953 ?_??? . ?_??? ?
C2 N3 N9 59.3679 ?_??? . ?_??? ?
C2 N3 C17 149.0016 ?_??? . ?_??? ?
C2 N3 C5 30.208 ?_??? . ?_??? ?
C2 N3 Na33 111.0809 ?_??? . ?_??? ?
C2 N3 O34 10.5701 ?_??? . ?_??? ?
C2 N3 Na33 126.1373 ?_??? . ?_??? ?
C2 N3 C8 48.2999 ?_??? . ?_??? ?
C2 N3 C7 100.9851 ?_??? . ?_??? ?
C2 N3 C6 11.4102 ?_??? . ?_??? ?
C2 N3 C16 108.657 ?_??? . ?_??? ?
C2 N3 N3 77.3355 ?_??? . ?_??? ?
C2 N3 N3 102.6645 ?_??? . ?_??? ?
C2 N3 N9 83.6073 ?_??? . ?_??? ?
C13 N3 N9 59.5478 ?_??? . ?_??? ?
C13 N3 C17 30.1087 ?_??? . ?_??? ?
C13 N3 C5 88.7081 ?_??? . ?_??? ?
C13 N3 Na33 107.1121 ?_??? . ?_??? ?
C13 N3 O34 129.412 ?_??? . ?_??? ?
C13 N3 Na33 111.9133 ?_??? . ?_??? ?
C13 N3 C8 166.9973 ?_??? . ?_??? ?
C13 N3 C7 76.9877 ?_??? . ?_??? ?
C13 N3 C6 130.2859 ?_??? . ?_??? ?
C13 N3 C16 10.3639 ?_??? . ?_??? ?
C13 N3 N3 85.4504 ?_??? . ?_??? ?
C13 N3 N3 94.5496 ?_??? . ?_??? ?
C13 N3 N9 75.5934 ?_??? . ?_??? ?
N9 N3 C17 89.6383 ?_??? . ?_??? ?
N9 N3 C5 29.1636 ?_??? . ?_??? ?
N9 N3 Na33 128.6335 ?_??? . ?_??? ?
N9 N3 O34 69.865 ?_??? . ?_??? ?
N9 N3 Na33 162.6118 ?_??? . ?_??? ?
N9 N3 C8 107.66 ?_??? . ?_??? ?
N9 N3 C7 89.4342 ?_??? . ?_??? ?
N9 N3 C6 70.7422 ?_??? . ?_??? ?
N9 N3 C16 49.3971 ?_??? . ?_??? ?
N9 N3 N3 71.5145 ?_??? . ?_??? ?
N9 N3 N3 108.4855 ?_??? . ?_??? ?
N9 N3 N9 70.6602 ?_??? . ?_??? ?
C17 N3 C5 118.8017 ?_??? . ?_??? ?
C17 N3 Na33 87.8916 ?_??? . ?_??? ?
C17 N3 O34 159.4876 ?_??? . ?_??? ?
C17 N3 Na33 83.2873 ?_??? . ?_??? ?
C17 N3 C8 162.6423 ?_??? . ?_??? ?
C17 N3 C7 76.3014 ?_??? . ?_??? ?
C17 N3 C6 160.3756 ?_??? . ?_??? ?
C17 N3 C16 40.3798 ?_??? . ?_??? ?
C17 N3 N3 94.2573 ?_??? . ?_??? ?
C17 N3 N3 85.7427 ?_??? . ?_??? ?
C17 N3 N9 85.5298 ?_??? . ?_??? ?
C5 N3 Na33 124.3348 ?_??? . ?_??? ?
C5 N3 O34 40.7041 ?_??? . ?_??? ?
C5 N3 Na33 153.3265 ?_??? . ?_??? ?
C5 N3 C8 78.5071 ?_??? . ?_??? ?
C5 N3 C7 96.2006 ?_??? . ?_??? ?
C5 N3 C6 41.5791 ?_??? . ?_??? ?
C5 N3 C16 78.5198 ?_??? . ?_??? ?
C5 N3 N3 71.6242 ?_??? . ?_??? ?
C5 N3 N3 108.3758 ?_??? . ?_??? ?
C5 N3 N9 75.4629 ?_??? . ?_??? ?
Na33 N3 O34 104.0455 ?_??? . ?_??? ?
Na33 N3 Na33 67.1501 ?_??? . ?_??? ?
Na33 N3 C8 82.4334 ?_??? . ?_??? ?
Na33 N3 C7 138.9726 ?_??? . ?_??? ?
Na33 N3 C6 103.8083 ?_??? . ?_??? ?
Na33 N3 C16 114.4236 ?_??? . ?_??? ?
Na33 N3 N3 57.5618 ?_??? . ?_??? ?
Na33 N3 N3 122.4382 ?_??? . ?_??? ?
Na33 N3 N9 159.6133 ?_??? . ?_??? ?
O34 N3 Na33 116.5867 ?_??? . ?_??? ?
O34 N3 C8 37.861 ?_??? . ?_??? ?
O34 N3 C7 103.4089 ?_??? . ?_??? ?
O34 N3 C6 0.9457 ?_??? . ?_??? ?
O34 N3 C16 119.2038 ?_??? . ?_??? ?
O34 N3 N3 78.8488 ?_??? . ?_??? ?
O34 N3 N3 101.1512 ?_??? . ?_??? ?
O34 N3 N9 88.2708 ?_??? . ?_??? ?
Na33 N3 C8 79.6871 ?_??? . ?_??? ?
Na33 N3 C7 73.4821 ?_??? . ?_??? ?
Na33 N3 C6 115.6438 ?_??? . ?_??? ?
Na33 N3 C16 120.975 ?_??? . ?_??? ?
Na33 N3 N3 124.7119 ?_??? . ?_??? ?
Na33 N3 N3 55.2881 ?_??? . ?_??? ?
Na33 N3 N9 92.8959 ?_??? . ?_??? ?
C8 N3 C7 101.8268 ?_??? . ?_??? ?
C8 N3 C6 36.9651 ?_??? . ?_??? ?
C8 N3 C16 156.6334 ?_??? . ?_??? ?
C8 N3 N3 92.6651 ?_??? . ?_??? ?
C8 N3 N3 87.3349 ?_??? . ?_??? ?
C8 N3 N9 98.6213 ?_??? . ?_??? ?
C7 N3 C6 103.1406 ?_??? . ?_??? ?
C7 N3 C16 76.517 ?_??? . ?_??? ?
C7 N3 N3 158.96 ?_??? . ?_??? ?
C7 N3 N3 21.0401 ?_??? . ?_??? ?
C7 N3 N9 20.7786 ?_??? . ?_??? ?
C6 N3 C16 120.0636 ?_??? . ?_??? ?
C6 N3 N3 79.4293 ?_??? . ?_??? ?
C6 N3 N3 100.5707 ?_??? . ?_??? ?
C6 N3 N9 88.2377 ?_??? . ?_??? ?
C16 N3 N3 84.1159 ?_??? . ?_??? ?
C16 N3 N3 95.8841 ?_??? . ?_??? ?
C16 N3 N9 71.4076 ?_??? . ?_??? ?
N3 N3 N3 180 ?_??? . ?_??? ?
N3 N3 N9 142.1747 ?_??? . ?_??? ?
N3 N3 N9 37.8253 ?_??? . ?_??? ?
C8 N4 C1 115.2411 ?_??? . ?_??? ?
C8 N4 N3 145.1714 ?_??? . ?_??? ?
C8 N4 C2 84.8233 ?_??? . ?_??? ?
C8 N4 C14 33.757 ?_??? . ?_??? ?
C8 N4 N12 25.5737 ?_??? . ?_??? ?
C8 N4 O34 58.8548 ?_??? . ?_??? ?
C8 N4 C6 54.5834 ?_??? . ?_??? ?
C8 N4 C18 63.1581 ?_??? . ?_??? ?
C8 N4 Na33 141.5202 ?_??? . ?_??? ?
C8 N4 C7 132.7073 ?_??? . ?_??? ?
C8 N4 Na33 128.5795 ?_??? . ?_??? ?
C8 N4 C1 105.3566 ?_??? . ?_??? ?
C8 N4 C5 95.8884 ?_??? . ?_??? ?
C8 N4 C19 23.5162 ?_??? . ?_??? ?
C8 N4 C2 92.5689 ?_??? . ?_??? ?
C8 N4 O34 74.6536 ?_??? . ?_??? ?
C8 N4 N4 84.1564 ?_??? . ?_??? ?
C8 N4 N4 95.8436 ?_??? . ?_??? ?
C8 N4 Na32 121.0228 ?_??? . ?_??? ?
C8 N4 C6 71.138 ?_??? . ?_??? ?
C1 N4 N3 29.9535 ?_??? . ?_??? ?
C1 N4 C2 30.4224 ?_??? . ?_??? ?
C1 N4 C14 148.9539 ?_??? . ?_??? ?
C1 N4 N12 89.6849 ?_??? . ?_??? ?
C1 N4 O34 56.398 ?_??? . ?_??? ?
C1 N4 C6 60.6613 ?_??? . ?_??? ?
C1 N4 C18 177.5343 ?_??? . ?_??? ?
C1 N4 Na33 100.8451 ?_??? . ?_??? ?
C1 N4 C7 17.4672 ?_??? . ?_??? ?
C1 N4 Na33 83.9006 ?_??? . ?_??? ?
C1 N4 C1 84.4501 ?_??? . ?_??? ?
C1 N4 C5 19.3651 ?_??? . ?_??? ?
C1 N4 C19 138.3128 ?_??? . ?_??? ?
C1 N4 C2 73.3097 ?_??? . ?_??? ?
C1 N4 O34 82.9912 ?_??? . ?_??? ?
C1 N4 N4 74.4153 ?_??? . ?_??? ?
C1 N4 N4 105.5847 ?_??? . ?_??? ?
C1 N4 Na32 109.0662 ?_??? . ?_??? ?
C1 N4 C6 84.627 ?_??? . ?_??? ?
N3 N4 C2 60.3744 ?_??? . ?_??? ?
N3 N4 C14 178.8627 ?_??? . ?_??? ?
N3 N4 N12 119.5988 ?_??? . ?_??? ?
N3 N4 O34 86.3172 ?_??? . ?_??? ?
N3 N4 C6 90.5913 ?_??? . ?_??? ?
N3 N4 C18 151.5432 ?_??? . ?_??? ?
N3 N4 Na33 71.9753 ?_??? . ?_??? ?
N3 N4 C7 12.5206 ?_??? . ?_??? ?
N3 N4 Na33 64.9584 ?_??? . ?_??? ?
N3 N4 C1 78.9447 ?_??? . ?_??? ?
N3 N4 C5 49.3184 ?_??? . ?_??? ?
N3 N4 C19 168.0455 ?_??? . ?_??? ?
N3 N4 C2 79.0026 ?_??? . ?_??? ?
N3 N4 O34 94.8087 ?_??? . ?_??? ?
N3 N4 N4 82.6288 ?_??? . ?_??? ?
N3 N4 N4 97.3712 ?_??? . ?_??? ?
N3 N4 Na32 84.9587 ?_??? . ?_??? ?
N3 N4 C6 97.6899 ?_??? . ?_??? ?
C2 N4 C14 118.5365 ?_??? . ?_??? ?
C2 N4 N12 59.2841 ?_??? . ?_??? ?
C2 N4 O34 26.0202 ?_??? . ?_??? ?
C2 N4 C6 30.2616 ?_??? . ?_??? ?
C2 N4 C18 147.9466 ?_??? . ?_??? ?
C2 N4 Na33 130.0251 ?_??? . ?_??? ?
C2 N4 C7 47.8849 ?_??? . ?_??? ?
C2 N4 Na33 103.8431 ?_??? . ?_??? ?
C2 N4 C1 91.8696 ?_??? . ?_??? ?
C2 N4 C5 11.0666 ?_??? . ?_??? ?
C2 N4 C19 107.9591 ?_??? . ?_??? ?
C2 N4 C2 72.5337 ?_??? . ?_??? ?
C2 N4 O34 73.0662 ?_??? . ?_??? ?
C2 N4 N4 69.882 ?_??? . ?_??? ?
C2 N4 N4 110.118 ?_??? . ?_??? ?
C2 N4 Na32 130.8343 ?_??? . ?_??? ?
C2 N4 C6 72.9822 ?_??? . ?_??? ?
C14 N4 N12 59.3307 ?_??? . ?_??? ?
C14 N4 O34 92.607 ?_??? . ?_??? ?
C14 N4 C6 88.3306 ?_??? . ?_??? ?
C14 N4 C18 29.5686 ?_??? . ?_??? ?
C14 N4 Na33 108.9834 ?_??? . ?_??? ?
C14 N4 C7 166.3692 ?_??? . ?_??? ?
C14 N4 Na33 115.93 ?_??? . ?_??? ?
C14 N4 C1 100.8902 ?_??? . ?_??? ?
C14 N4 C5 129.589 ?_??? . ?_??? ?
C14 N4 C19 10.8197 ?_??? . ?_??? ?
C14 N4 C2 100.4137 ?_??? . ?_??? ?
C14 N4 O34 84.4698 ?_??? . ?_??? ?
C14 N4 N4 97.3268 ?_??? . ?_??? ?
C14 N4 N4 82.6732 ?_??? . ?_??? ?
C14 N4 Na32 96.113 ?_??? . ?_??? ?
C14 N4 C6 81.5583 ?_??? . ?_??? ?
N12 N4 O34 33.2878 ?_??? . ?_??? ?
N12 N4 C6 29.0253 ?_??? . ?_??? ?
N12 N4 C18 88.668 ?_??? . ?_??? ?
N12 N4 Na33 163.5411 ?_??? . ?_??? ?
N12 N4 C7 107.1516 ?_??? . ?_??? ?
N12 N4 Na33 128.7282 ?_??? . ?_??? ?
N12 N4 C1 105.2538 ?_??? . ?_??? ?
N12 N4 C5 70.3504 ?_??? . ?_??? ?
N12 N4 C19 48.9808 ?_??? . ?_??? ?
N12 N4 C2 85.9227 ?_??? . ?_??? ?
N12 N4 O34 70.4363 ?_??? . ?_??? ?
N12 N4 N4 75.1311 ?_??? . ?_??? ?
N12 N4 N4 104.8689 ?_??? . ?_??? ?
N12 N4 Na32 135.6491 ?_??? . ?_??? ?
N12 N4 C6 67.267 ?_??? . ?_??? ?
O34 N4 C6 4.2919 ?_??? . ?_??? ?
O34 N4 C18 121.928 ?_??? . ?_??? ?
O34 N4 Na33 154.535 ?_??? . ?_??? ?
O34 N4 C7 73.8641 ?_??? . ?_??? ?
O34 N4 Na33 117.3805 ?_??? . ?_??? ?
O34 N4 C1 99.7659 ?_??? . ?_??? ?
O34 N4 C5 37.0793 ?_??? . ?_??? ?
O34 N4 C19 82.1554 ?_??? . ?_??? ?
O34 N4 C2 77.6845 ?_??? . ?_??? ?
O34 N4 O34 69.977 ?_??? . ?_??? ?
O34 N4 N4 68.6147 ?_??? . ?_??? ?
O34 N4 N4 111.3853 ?_??? . ?_??? ?
O34 N4 Na32 140.5848 ?_??? . ?_??? ?
O34 N4 C6 68.294 ?_??? . ?_??? ?
C6 N4 C18 117.6858 ?_??? . ?_??? ?
C6 N4 Na33 157.8557 ?_??? . ?_??? ?
C6 N4 C7 78.1285 ?_??? . ?_??? ?
C6 N4 Na33 119.844 ?_??? . ?_??? ?
C6 N4 C1 100.2353 ?_??? . ?_??? ?
C6 N4 C5 41.3268 ?_??? . ?_??? ?
C6 N4 C19 77.8663 ?_??? . ?_??? ?
C6 N4 C2 78.1097 ?_??? . ?_??? ?
C6 N4 O34 69.1625 ?_??? . ?_??? ?
C6 N4 N4 69.5457 ?_??? . ?_??? ?
C6 N4 N4 110.4543 ?_??? . ?_??? ?
C6 N4 Na32 141.7117 ?_??? . ?_??? ?
C6 N4 C6 67.2425 ?_??? . ?_??? ?
C18 N4 Na33 81.169 ?_??? . ?_??? ?
C18 N4 C7 164.0622 ?_??? . ?_??? ?
C18 N4 Na33 95.7062 ?_??? . ?_??? ?
C18 N4 C1 97.7543 ?_??? . ?_??? ?
C18 N4 C5 159.0063 ?_??? . ?_??? ?
C18 N4 C19 40.309 ?_??? . ?_??? ?
C18 N4 C2 108.3921 ?_??? . ?_??? ?
C18 N4 O34 98.1765 ?_??? . ?_??? ?
C18 N4 N4 103.3763 ?_??? . ?_??? ?
C18 N4 N4 76.6237 ?_??? . ?_??? ?
C18 N4 Na32 70.9914 ?_??? . ?_??? ?
C18 N4 C6 96.4215 ?_??? . ?_??? ?
Na33 N4 C7 83.8241 ?_??? . ?_??? ?
Na33 N4 Na33 65.6199 ?_??? . ?_??? ?
Na33 N4 C1 63.7651 ?_??? . ?_??? ?
Na33 N4 C5 119.3894 ?_??? . ?_??? ?
Na33 N4 C19 118.3737 ?_??? . ?_??? ?
Na33 N4 C2 85.0611 ?_??? . ?_??? ?
Na33 N4 O34 98.0984 ?_??? . ?_??? ?
Na33 N4 N4 119.7335 ?_??? . ?_??? ?
Na33 N4 N4 60.2665 ?_??? . ?_??? ?
Na33 N4 Na32 52.3667 ?_??? . ?_??? ?
Na33 N4 C6 100.879 ?_??? . ?_??? ?
C7 N4 Na33 73.0794 ?_??? . ?_??? ?
C7 N4 C1 80.2568 ?_??? . ?_??? ?
C7 N4 C5 36.8215 ?_??? . ?_??? ?
C7 N4 C19 155.6101 ?_??? . ?_??? ?
C7 N4 C2 75.4664 ?_??? . ?_??? ?
C7 N4 O34 89.1982 ?_??? . ?_??? ?
C7 N4 N4 79.5267 ?_??? . ?_??? ?
C7 N4 N4 100.4733 ?_??? . ?_??? ?
C7 N4 Na32 95.5155 ?_??? . ?_??? ?
C7 N4 C6 91.6373 ?_??? . ?_??? ?
Na33 N4 C1 124.4667 ?_??? . ?_??? ?
Na33 N4 C5 96.9601 ?_??? . ?_??? ?
Na33 N4 C19 123.6047 ?_??? . ?_??? ?
Na33 N4 C2 138.6686 ?_??? . ?_??? ?
Na33 N4 O34 156.657 ?_??? . ?_??? ?
Na33 N4 N4 54.1136 ?_??? . ?_??? ?
Na33 N4 N4 125.8864 ?_??? . ?_??? ?
Na33 N4 Na32 27.0125 ?_??? . ?_??? ?
Na33 N4 C6 160.1495 ?_??? . ?_??? ?
C1 N4 C5 88.77 ?_??? . ?_??? ?
C1 N4 C19 99.8523 ?_??? . ?_??? ?
C1 N4 C2 22.1269 ?_??? . ?_??? ?
C1 N4 O34 34.8482 ?_??? . ?_??? ?
C1 N4 N4 158.8654 ?_??? . ?_??? ?
C1 N4 N4 21.1346 ?_??? . ?_??? ?
C1 N4 Na32 116.0204 ?_??? . ?_??? ?
C1 N4 C6 37.987 ?_??? . ?_??? ?
C5 N4 C19 118.9764 ?_??? . ?_??? ?
C5 N4 C2 71.8566 ?_??? . ?_??? ?
C5 N4 O34 75.9474 ?_??? . ?_??? ?
C5 N4 N4 71.2773 ?_??? . ?_??? ?
C5 N4 N4 108.7228 ?_??? . ?_??? ?
C5 N4 Na32 123.7555 ?_??? . ?_??? ?
C5 N4 C6 76.5346 ?_??? . ?_??? ?
C19 N4 C2 95.3755 ?_??? . ?_??? ?
C19 N4 O34 78.2973 ?_??? . ?_??? ?
C19 N4 N4 96.0234 ?_??? . ?_??? ?
C19 N4 N4 83.9766 ?_??? . ?_??? ?
C19 N4 Na32 106.0055 ?_??? . ?_??? ?
C19 N4 C6 75.1149 ?_??? . ?_??? ?
C2 N4 O34 17.9884 ?_??? . ?_??? ?
C2 N4 N4 142.4157 ?_??? . ?_??? ?
C2 N4 N4 37.5843 ?_??? . ?_??? ?
C2 N4 Na32 137.3757 ?_??? . ?_??? ?
C2 N4 C6 21.4862 ?_??? . ?_??? ?
O34 N4 N4 138.5917 ?_??? . ?_??? ?
O34 N4 N4 41.4083 ?_??? . ?_??? ?
O34 N4 Na32 149.0655 ?_??? . ?_??? ?
O34 N4 C6 3.5162 ?_??? . ?_??? ?
N4 N4 N4 180 ?_??? . ?_??? ?
N4 N4 Na32 72.1686 ?_??? . ?_??? ?
N4 N4 C6 136.7882 ?_??? . ?_??? ?
N4 N4 Na32 107.8314 ?_??? . ?_??? ?
N4 N4 C6 43.2118 ?_??? . ?_??? ?
Na32 N4 C6 151.0408 ?_??? . ?_??? ?
N10 C5 N9 120.5799 ?_??? . ?_??? ?
N10 C5 C2 119.8393 ?_??? . ?_??? ?
N10 C5 O34 93.7036 ?_??? . ?_??? ?
N10 C5 C7 152.5912 ?_??? . ?_??? ?
N10 C5 C15 32.0769 ?_??? . ?_??? ?
N10 C5 C6 89.8347 ?_??? . ?_??? ?
N10 C5 C1 149.5901 ?_??? . ?_??? ?
N10 C5 N11 60.7279 ?_??? . ?_??? ?
N10 C5 N3 178.5597 ?_??? . ?_??? ?
N10 C5 N10 87.3341 ?_??? . ?_??? ?
N10 C5 C13 140.1156 ?_??? . ?_??? ?
N10 C5 C20 19.5449 ?_??? . ?_??? ?
N10 C5 C2 82.2157 ?_??? . ?_??? ?
N10 C5 N12 100.3535 ?_??? . ?_??? ?
N10 C5 N4 138.956 ?_??? . ?_??? ?
N10 C5 C1 104.1432 ?_??? . ?_??? ?
N10 C5 C5 71.4334 ?_??? . ?_??? ?
N10 C5 C5 108.5666 ?_??? . ?_??? ?
N9 C5 C2 119.5758 ?_??? . ?_??? ?
N9 C5 O34 145.6983 ?_??? . ?_??? ?
N9 C5 C7 32.0128 ?_??? . ?_??? ?
N9 C5 C15 152.6154 ?_??? . ?_??? ?
N9 C5 C6 149.58 ?_??? . ?_??? ?
N9 C5 C1 89.8233 ?_??? . ?_??? ?
N9 C5 N11 177.5705 ?_??? . ?_??? ?
N9 C5 N3 60.8228 ?_??? . ?_??? ?
N9 C5 N10 96.3896 ?_??? . ?_??? ?
N9 C5 C13 19.5417 ?_??? . ?_??? ?
N9 C5 C20 140.1248 ?_??? . ?_??? ?
N9 C5 C2 105.6971 ?_??? . ?_??? ?
N9 C5 N12 139.0666 ?_??? . ?_??? ?
N9 C5 N4 100.451 ?_??? . ?_??? ?
N9 C5 C1 94.4323 ?_??? . ?_??? ?
N9 C5 C5 94.5213 ?_??? . ?_??? ?
N9 C5 C5 85.4787 ?_??? . ?_??? ?
C2 C5 O34 26.2034 ?_??? . ?_??? ?
C2 C5 C7 87.5691 ?_??? . ?_??? ?
C2 C5 C15 87.7986 ?_??? . ?_??? ?
C2 C5 C6 30.0352 ?_??? . ?_??? ?
C2 C5 C1 29.7528 ?_??? . ?_??? ?
C2 C5 N11 59.1892 ?_??? . ?_??? ?
C2 C5 N3 58.7641 ?_??? . ?_??? ?
C2 C5 N10 85.5587 ?_??? . ?_??? ?
C2 C5 C13 100.0346 ?_??? . ?_??? ?
C2 C5 C20 100.2958 ?_??? . ?_??? ?
C2 C5 C2 82.8864 ?_??? . ?_??? ?
C2 C5 N12 19.5007 ?_??? . ?_??? ?
C2 C5 N4 19.1264 ?_??? . ?_??? ?
C2 C5 C1 71.7585 ?_??? . ?_??? ?
C2 C5 C5 104.7072 ?_??? . ?_??? ?
C2 C5 C5 75.2928 ?_??? . ?_??? ?
O34 C5 C7 113.6933 ?_??? . ?_??? ?
O34 C5 C15 61.6321 ?_??? . ?_??? ?
O34 C5 C6 3.91 ?_??? . ?_??? ?
O34 C5 C1 55.9196 ?_??? . ?_??? ?
O34 C5 N11 32.9955 ?_??? . ?_??? ?
O34 C5 N3 84.8879 ?_??? . ?_??? ?
O34 C5 N10 85.5097 ?_??? . ?_??? ?
O34 C5 C13 126.179 ?_??? . ?_??? ?
O34 C5 C20 74.1633 ?_??? . ?_??? ?
O34 C5 C2 75.8445 ?_??? . ?_??? ?
O34 C5 N12 6.7503 ?_??? . ?_??? ?
O34 C5 N4 45.3148 ?_??? . ?_??? ?
O34 C5 C1 74.4202 ?_??? . ?_??? ?
O34 C5 C5 95.6076 ?_??? . ?_??? ?
O34 C5 C5 84.3924 ?_??? . ?_??? ?
C7 C5 C15 175.15 ?_??? . ?_??? ?
C7 C5 C6 117.5688 ?_??? . ?_??? ?
C7 C5 C1 57.817 ?_??? . ?_??? ?
C7 C5 N11 146.6295 ?_??? . ?_??? ?
C7 C5 N3 28.81 ?_??? . ?_??? ?
C7 C5 N10 95.2766 ?_??? . ?_??? ?
C7 C5 C13 12.4907 ?_??? . ?_??? ?
C7 C5 C20 172.1345 ?_??? . ?_??? ?
C7 C5 C2 102.9649 ?_??? . ?_??? ?
C7 C5 N12 107.0543 ?_??? . ?_??? ?
C7 C5 N4 68.4491 ?_??? . ?_??? ?
C7 C5 C1 83.5261 ?_??? . ?_??? ?
C7 C5 C5 103.5666 ?_??? . ?_??? ?
C7 C5 C5 76.4334 ?_??? . ?_??? ?
C15 C5 C6 57.7714 ?_??? . ?_??? ?
C15 C5 C1 117.5457 ?_??? . ?_??? ?
C15 C5 N11 28.6513 ?_??? . ?_??? ?
C15 C5 N3 146.5085 ?_??? . ?_??? ?
C15 C5 N10 85.7945 ?_??? . ?_??? ?
C15 C5 C13 172.1409 ?_??? . ?_??? ?
C15 C5 C20 12.5682 ?_??? . ?_??? ?
C15 C5 C2 75.0175 ?_??? . ?_??? ?
C15 C5 N12 68.3 ?_??? . ?_??? ?
C15 C5 N4 106.925 ?_??? . ?_??? ?
C15 C5 C1 93.6557 ?_??? . ?_??? ?
C15 C5 C5 76.2547 ?_??? . ?_??? ?
C15 C5 C5 103.7453 ?_??? . ?_??? ?
C6 C5 C1 59.7744 ?_??? . ?_??? ?
C6 C5 N11 29.1551 ?_??? . ?_??? ?
C6 C5 N3 88.7598 ?_??? . ?_??? ?
C6 C5 N10 84.7543 ?_??? . ?_??? ?
C6 C5 C13 130.0498 ?_??? . ?_??? ?
C6 C5 C20 70.2912 ?_??? . ?_??? ?
C6 C5 C2 75.8327 ?_??? . ?_??? ?
C6 C5 N12 10.536 ?_??? . ?_??? ?
C6 C5 N4 49.1586 ?_??? . ?_??? ?
C6 C5 C1 75.9148 ?_??? . ?_??? ?
C6 C5 C5 94.9172 ?_??? . ?_??? ?
C6 C5 C5 85.0828 ?_??? . ?_??? ?
C1 C5 N11 88.9146 ?_??? . ?_??? ?
C1 C5 N3 29.0178 ?_??? . ?_??? ?
C1 C5 N10 88.6823 ?_??? . ?_??? ?
C1 C5 C13 70.2827 ?_??? . ?_??? ?
C1 C5 C20 130.0483 ?_??? . ?_??? ?
C1 C5 C2 90.5457 ?_??? . ?_??? ?
C1 C5 N12 49.2467 ?_??? . ?_??? ?
C1 C5 N4 10.6355 ?_??? . ?_??? ?
C1 C5 C1 71.4436 ?_??? . ?_??? ?
C1 C5 C5 109.5416 ?_??? . ?_??? ?
C1 C5 C5 70.4584 ?_??? . ?_??? ?
N11 C5 N3 117.8573 ?_??? . ?_??? ?
N11 C5 N10 85.6575 ?_??? . ?_??? ?
N11 C5 C13 159.1162 ?_??? . ?_??? ?
N11 C5 C20 41.2059 ?_??? . ?_??? ?
N11 C5 C2 72.2428 ?_??? . ?_??? ?
N11 C5 N12 39.6911 ?_??? . ?_??? ?
N11 C5 N4 78.3089 ?_??? . ?_??? ?
N11 C5 C1 83.1976 ?_??? . ?_??? ?
N11 C5 C5 83.9489 ?_??? . ?_??? ?
N11 C5 C5 96.0511 ?_??? . ?_??? ?
N3 C5 N10 92.8499 ?_??? . ?_??? ?
N3 C5 C13 41.2912 ?_??? . ?_??? ?
N3 C5 C20 159.0509 ?_??? . ?_??? ?
N3 C5 C2 97.1309 ?_??? . ?_??? ?
N3 C5 N12 78.2445 ?_??? . ?_??? ?
N3 C5 N4 39.6531 ?_??? . ?_??? ?
N3 C5 C1 75.2022 ?_??? . ?_??? ?
N3 C5 C5 108.3758 ?_??? . ?_??? ?
N3 C5 C5 71.6242 ?_??? . ?_??? ?
N10 C5 C13 95.381 ?_??? . ?_??? ?
N10 C5 C20 85.5093 ?_??? . ?_??? ?
N10 C5 C2 157.8981 ?_??? . ?_??? ?
N10 C5 N12 84.7358 ?_??? . ?_??? ?
N10 C5 N4 87.1276 ?_??? . ?_??? ?
N10 C5 C1 157.3112 ?_??? . ?_??? ?
N10 C5 C5 158.7675 ?_??? . ?_??? ?
N10 C5 C5 21.2325 ?_??? . ?_??? ?
C13 C5 C20 159.6577 ?_??? . ?_??? ?
C13 C5 C2 105.1333 ?_??? . ?_??? ?
C13 C5 N12 119.5283 ?_??? . ?_??? ?
C13 C5 N4 80.9094 ?_??? . ?_??? ?
C13 C5 C1 88.2487 ?_??? . ?_??? ?
C13 C5 C5 100.9062 ?_??? . ?_??? ?
C13 C5 C5 79.0938 ?_??? . ?_??? ?
C20 C5 C2 78.1356 ?_??? . ?_??? ?
C20 C5 N12 80.8086 ?_??? . ?_??? ?
C20 C5 N4 119.4163 ?_??? . ?_??? ?
C20 C5 C1 98.7616 ?_??? . ?_??? ?
C20 C5 C5 74.4932 ?_??? . ?_??? ?
C20 C5 C5 105.5068 ?_??? . ?_??? ?
C2 C5 N12 78.1072 ?_??? . ?_??? ?
C2 C5 N4 88.0645 ?_??? . ?_??? ?
C2 C5 C1 21.9296 ?_??? . ?_??? ?
C2 C5 C5 21.8208 ?_??? . ?_??? ?
C2 C5 C5 158.1792 ?_??? . ?_??? ?
N12 C5 N4 38.6261 ?_??? . ?_??? ?
N12 C5 C1 74.0813 ?_??? . ?_??? ?
N12 C5 C5 98.7559 ?_??? . ?_??? ?
N12 C5 C5 81.2441 ?_??? . ?_??? ?
N4 C5 C1 71.3024 ?_??? . ?_??? ?
N4 C5 C5 108.7228 ?_??? . ?_??? ?
N4 C5 C5 71.2773 ?_??? . ?_??? ?
C1 C5 C5 38.0981 ?_??? . ?_??? ?
C1 C5 C5 141.902 ?_??? . ?_??? ?
C5 C5 C5 180 ?_??? . ?_??? ?
O34 C6 N12 112.8661 ?_??? . ?_??? ?
O34 C6 N11 127.1151 ?_??? . ?_??? ?
O34 C6 C2 9.7481 ?_??? . ?_??? ?
O34 C6 C15 95.3899 ?_??? . ?_??? ?
O34 C6 C8 80.9925 ?_??? . ?_??? ?
O34 C6 C1 23.6003 ?_??? . ?_??? ?
O34 C6 C5 37.7753 ?_??? . ?_??? ?
O34 C6 N10 66.841 ?_??? . ?_??? ?
O34 C6 N4 52.4471 ?_??? . ?_??? ?
O34 C6 N11 100.9694 ?_??? . ?_??? ?
O34 C6 C8 86.8077 ?_??? . ?_??? ?
O34 C6 C14 93.9345 ?_??? . ?_??? ?
O34 C6 C20 108.1938 ?_??? . ?_??? ?
O34 C6 N12 100.7897 ?_??? . ?_??? ?
O34 C6 N3 13.0882 ?_??? . ?_??? ?
O34 C6 N9 27.0714 ?_??? . ?_??? ?
O34 C6 C15 90.8937 ?_??? . ?_??? ?
O34 C6 C6 92.3976 ?_??? . ?_??? ?
O34 C6 C6 87.6024 ?_??? . ?_??? ?
O34 C6 O34 83.8143 ?_??? . ?_??? ?
O34 C6 N4 66.1572 ?_??? . ?_??? ?
N12 C6 N11 119.519 ?_??? . ?_??? ?
N12 C6 C2 120.1897 ?_??? . ?_??? ?
N12 C6 C15 151.6941 ?_??? . ?_??? ?
N12 C6 C8 32.1102 ?_??? . ?_??? ?
N12 C6 C1 89.9531 ?_??? . ?_??? ?
N12 C6 C5 150.2588 ?_??? . ?_??? ?
N12 C6 N10 178.3301 ?_??? . ?_??? ?
N12 C6 N4 60.7529 ?_??? . ?_??? ?
N12 C6 N11 85.0449 ?_??? . ?_??? ?
N12 C6 C8 74.4832 ?_??? . ?_??? ?
N12 C6 C14 19.2358 ?_??? . ?_??? ?
N12 C6 C20 138.9013 ?_??? . ?_??? ?
N12 C6 N12 84.003 ?_??? . ?_??? ?
N12 C6 N3 100.6403 ?_??? . ?_??? ?
N12 C6 N9 139.4607 ?_??? . ?_??? ?
N12 C6 C15 106.355 ?_??? . ?_??? ?
N12 C6 C6 104.9981 ?_??? . ?_??? ?
N12 C6 C6 75.0019 ?_??? . ?_??? ?
N12 C6 O34 76.5963 ?_??? . ?_??? ?
N12 C6 N4 84.1261 ?_??? . ?_??? ?
N11 C6 C2 120.2904 ?_??? . ?_??? ?
N11 C6 C15 32.2792 ?_??? . ?_??? ?
N11 C6 C8 151.629 ?_??? . ?_??? ?
N11 C6 C1 150.4818 ?_??? . ?_??? ?
N11 C6 C5 90.2222 ?_??? . ?_??? ?
N11 C6 N10 61.0091 ?_??? . ?_??? ?
N11 C6 N4 178.7487 ?_??? . ?_??? ?
N11 C6 N11 90.4538 ?_??? . ?_??? ?
N11 C6 C8 99.9647 ?_??? . ?_??? ?
N11 C6 C14 138.7165 ?_??? . ?_??? ?
N11 C6 C20 19.7401 ?_??? . ?_??? ?
N11 C6 N12 78.5869 ?_??? . ?_??? ?
N11 C6 N3 139.7596 ?_??? . ?_??? ?
N11 C6 N9 101.0139 ?_??? . ?_??? ?
N11 C6 C15 81.5282 ?_??? . ?_??? ?
N11 C6 C6 68.3031 ?_??? . ?_??? ?
N11 C6 C6 111.697 ?_??? . ?_??? ?
N11 C6 O34 114.0647 ?_??? . ?_??? ?
N11 C6 N4 111.5147 ?_??? . ?_??? ?
C2 C6 C15 88.0702 ?_??? . ?_??? ?
C2 C6 C8 88.0797 ?_??? . ?_??? ?
C2 C6 C1 30.2654 ?_??? . ?_??? ?
C2 C6 C5 30.0707 ?_??? . ?_??? ?
C2 C6 N10 59.317 ?_??? . ?_??? ?
C2 C6 N4 59.4454 ?_??? . ?_??? ?
C2 C6 N11 94.7579 ?_??? . ?_??? ?
C2 C6 C8 95.0853 ?_??? . ?_??? ?
C2 C6 C14 100.9852 ?_??? . ?_??? ?
C2 C6 C20 100.8041 ?_??? . ?_??? ?
C2 C6 N12 107.1779 ?_??? . ?_??? ?
C2 C6 N3 19.6671 ?_??? . ?_??? ?
C2 C6 N9 19.2801 ?_??? . ?_??? ?
C2 C6 C15 82.6369 ?_??? . ?_??? ?
C2 C6 C6 96.0667 ?_??? . ?_??? ?
C2 C6 C6 83.9333 ?_??? . ?_??? ?
C2 C6 O34 80.1929 ?_??? . ?_??? ?
C2 C6 N4 74.4858 ?_??? . ?_??? ?
C15 C6 C8 175.7474 ?_??? . ?_??? ?
C15 C6 C1 118.3301 ?_??? . ?_??? ?
C15 C6 C5 58.0076 ?_??? . ?_??? ?
C15 C6 N10 28.7536 ?_??? . ?_??? ?
C15 C6 N4 147.5102 ?_??? . ?_??? ?
C15 C6 N11 91.426 ?_??? . ?_??? ?
C15 C6 C8 106.8103 ?_??? . ?_??? ?
C15 C6 C14 170.5034 ?_??? . ?_??? ?
C15 C6 C20 12.8043 ?_??? . ?_??? ?
C15 C6 N12 89.2755 ?_??? . ?_??? ?
C15 C6 N3 107.6587 ?_??? . ?_??? ?
C15 C6 N9 68.8225 ?_??? . ?_??? ?
C15 C6 C15 73.5162 ?_??? . ?_??? ?
C15 C6 C6 70.7637 ?_??? . ?_??? ?
C15 C6 C6 109.2363 ?_??? . ?_??? ?
C15 C6 O34 109.5145 ?_??? . ?_??? ?
C15 C6 N4 106.9859 ?_??? . ?_??? ?
C8 C6 C1 57.8567 ?_??? . ?_??? ?
C8 C6 C5 118.1488 ?_??? . ?_??? ?
C8 C6 N10 147.3434 ?_??? . ?_??? ?
C8 C6 N4 28.6561 ?_??? . ?_??? ?
C8 C6 N11 87.0947 ?_??? . ?_??? ?
C8 C6 C8 75.3415 ?_??? . ?_??? ?
C8 C6 C14 12.9498 ?_??? . ?_??? ?
C8 C6 C20 170.5803 ?_??? . ?_??? ?
C8 C6 N12 93.5869 ?_??? . ?_??? ?
C8 C6 N3 68.5609 ?_??? . ?_??? ?
C8 C6 N9 107.3536 ?_??? . ?_??? ?
C8 C6 C15 104.1833 ?_??? . ?_??? ?
C8 C6 C6 111.4639 ?_??? . ?_??? ?
C8 C6 C6 68.5361 ?_??? . ?_??? ?
C8 C6 O34 68.0093 ?_??? . ?_??? ?
C8 C6 N4 73.6725 ?_??? . ?_??? ?
C1 C6 C5 60.3226 ?_??? . ?_??? ?
C1 C6 N10 89.5793 ?_??? . ?_??? ?
C1 C6 N4 29.2019 ?_??? . ?_??? ?
C1 C6 N11 93.9986 ?_??? . ?_??? ?
C1 C6 C8 85.6071 ?_??? . ?_??? ?
C1 C6 C14 70.7906 ?_??? . ?_??? ?
C1 C6 C20 131.069 ?_??? . ?_??? ?
C1 C6 N12 104.9292 ?_??? . ?_??? ?
C1 C6 N3 10.7263 ?_??? . ?_??? ?
C1 C6 N9 49.5104 ?_??? . ?_??? ?
C1 C6 C15 92.2361 ?_??? . ?_??? ?
C1 C6 C6 104.5079 ?_??? . ?_??? ?
C1 C6 C6 75.4921 ?_??? . ?_??? ?
C1 C6 O34 71.9488 ?_??? . ?_??? ?
C1 C6 N4 66.9622 ?_??? . ?_??? ?
C5 C6 N10 29.2614 ?_??? . ?_??? ?
C5 C6 N4 89.5146 ?_??? . ?_??? ?
C5 C6 N11 95.38 ?_??? . ?_??? ?
C5 C6 C8 102.1065 ?_??? . ?_??? ?
C5 C6 C14 131.0407 ?_??? . ?_??? ?
C5 C6 C20 70.7642 ?_??? . ?_??? ?
C5 C6 N12 103.5216 ?_??? . ?_??? ?
C5 C6 N3 49.6611 ?_??? . ?_??? ?
C5 C6 N9 10.8209 ?_??? . ?_??? ?
C5 C6 C15 76.0809 ?_??? . ?_??? ?
C5 C6 C6 85.0828 ?_??? . ?_??? ?
C5 C6 C6 94.9172 ?_??? . ?_??? ?
C5 C6 O34 91.8926 ?_??? . ?_??? ?
C5 C6 N4 84.8046 ?_??? . ?_??? ?
N10 C6 N4 118.758 ?_??? . ?_??? ?
N10 C6 N11 93.3885 ?_??? . ?_??? ?
N10 C6 C8 107.0769 ?_??? . ?_??? ?
N10 C6 C14 160.1023 ?_??? . ?_??? ?
N10 C6 C20 41.5031 ?_??? . ?_??? ?
N10 C6 N12 97.6665 ?_??? . ?_??? ?
N10 C6 N3 78.9222 ?_??? . ?_??? ?
N10 C6 N9 40.081 ?_??? . ?_??? ?
N10 C6 C15 72.0629 ?_??? . ?_??? ?
N10 C6 C6 76.6714 ?_??? . ?_??? ?
N10 C6 C6 103.3286 ?_??? . ?_??? ?
N10 C6 O34 101.7352 ?_??? . ?_??? ?
N10 C6 N4 97.1627 ?_??? . ?_??? ?
N4 C6 N11 90.7888 ?_??? . ?_??? ?
N4 C6 C8 78.8969 ?_??? . ?_??? ?
N4 C6 C14 41.5964 ?_??? . ?_??? ?
N4 C6 C20 160.1646 ?_??? . ?_??? ?
N4 C6 N12 100.287 ?_??? . ?_??? ?
N4 C6 N3 39.9056 ?_??? . ?_??? ?
N4 C6 N9 78.7083 ?_??? . ?_??? ?
N4 C6 C15 99.5935 ?_??? . ?_??? ?
N4 C6 C6 110.4543 ?_??? . ?_??? ?
N4 C6 C6 69.5457 ?_??? . ?_??? ?
N4 C6 O34 67.1679 ?_??? . ?_??? ?
N4 C6 N4 67.2425 ?_??? . ?_??? ?
N11 C6 C8 159.5213 ?_??? . ?_??? ?
N11 C6 C14 85.0287 ?_??? . ?_??? ?
N11 C6 C20 89.0331 ?_??? . ?_??? ?
N11 C6 N12 158.0641 ?_??? . ?_??? ?
N11 C6 N3 95.7529 ?_??? . ?_??? ?
N11 C6 N9 95.9786 ?_??? . ?_??? ?
N11 C6 C15 21.3764 ?_??? . ?_??? ?
N11 C6 C6 158.7568 ?_??? . ?_??? ?
N11 C6 C6 21.2432 ?_??? . ?_??? ?
N11 C6 O34 23.815 ?_??? . ?_??? ?
N11 C6 N4 158.0313 ?_??? . ?_??? ?
C8 C6 C14 75.4883 ?_??? . ?_??? ?
C8 C6 C20 106.6586 ?_??? . ?_??? ?
C8 C6 N12 21.4243 ?_??? . ?_??? ?
C8 C6 N3 87.6601 ?_??? . ?_??? ?
C8 C6 N9 99.2237 ?_??? . ?_??? ?
C8 C6 C15 177.698 ?_??? . ?_??? ?
C8 C6 C6 36.1224 ?_??? . ?_??? ?
C8 C6 C6 143.8776 ?_??? . ?_??? ?
C8 C6 O34 143.1376 ?_??? . ?_??? ?
C8 C6 N4 20.654 ?_??? . ?_??? ?
C14 C6 C20 157.8087 ?_??? . ?_??? ?
C14 C6 N12 90.7465 ?_??? . ?_??? ?
C14 C6 N3 81.5015 ?_??? . ?_??? ?
C14 C6 N9 120.2649 ?_??? . ?_??? ?
C14 C6 C15 104.5704 ?_??? . ?_??? ?
C14 C6 C6 110.6587 ?_??? . ?_??? ?
C14 C6 C6 69.3413 ?_??? . ?_??? ?
C14 C6 O34 69.7256 ?_??? . ?_??? ?
C14 C6 N4 78.5056 ?_??? . ?_??? ?
C20 C6 N12 86.8198 ?_??? . ?_??? ?
C20 C6 N3 120.4252 ?_??? . ?_??? ?
C20 C6 N9 81.5841 ?_??? . ?_??? ?
C20 C6 C15 74.1851 ?_??? . ?_??? ?
C20 C6 C6 71.0123 ?_??? . ?_??? ?
C20 C6 C6 108.9877 ?_??? . ?_??? ?
C20 C6 O34 110.1452 ?_??? . ?_??? ?
C20 C6 N4 111.5424 ?_??? . ?_??? ?
N12 C6 N3 104.9139 ?_??? . ?_??? ?
N12 C6 N9 104.6857 ?_??? . ?_??? ?
N12 C6 C15 160.112 ?_??? . ?_??? ?
N12 C6 C6 20.9952 ?_??? . ?_??? ?
N12 C6 C6 159.0049 ?_??? . ?_??? ?
N12 C6 O34 160.2825 ?_??? . ?_??? ?
N12 C6 N4 37.9673 ?_??? . ?_??? ?
N3 C6 N9 38.8412 ?_??? . ?_??? ?
N3 C6 C15 90.0724 ?_??? . ?_??? ?
N3 C6 C6 100.5707 ?_??? . ?_??? ?
N3 C6 C6 79.4293 ?_??? . ?_??? ?
N3 C6 O34 75.7031 ?_??? . ?_??? ?
N3 C6 N4 67.6647 ?_??? . ?_??? ?
N9 C6 C15 78.732 ?_??? . ?_??? ?
N9 C6 C6 88.4209 ?_??? . ?_??? ?
N9 C6 C6 91.5791 ?_??? . ?_??? ?
N9 C6 O34 88.1972 ?_??? . ?_??? ?
N9 C6 N4 80.2 ?_??? . ?_??? ?
C15 C6 C6 144.2799 ?_??? . ?_??? ?
C15 C6 C6 35.7201 ?_??? . ?_??? ?
C15 C6 O34 36.2129 ?_??? . ?_??? ?
C15 C6 N4 157.0495 ?_??? . ?_??? ?
C6 C6 C6 180 ?_??? . ?_??? ?
C6 C6 O34 176.2119 ?_??? . ?_??? ?
C6 C6 N4 43.2118 ?_??? . ?_??? ?
C6 C6 O34 3.7881 ?_??? . ?_??? ?
C6 C6 N4 136.7882 ?_??? . ?_??? ?
O34 C6 N4 134.306 ?_??? . ?_??? ?
N9 C7 N3 129.2335 ?_??? . ?_??? ?
N9 C7 C13 115.7348 ?_??? . ?_??? ?
N9 C7 C5 32.4736 ?_??? . ?_??? ?
N9 C7 C1 96.939 ?_??? . ?_??? ?
N9 C7 C17 144.1615 ?_??? . ?_??? ?
N9 C7 C16 87.5422 ?_??? . ?_??? ?
N9 C7 C2 64.6907 ?_??? . ?_??? ?
N9 C7 N4 107.1912 ?_??? . ?_??? ?
N9 C7 N10 22.318 ?_??? . ?_??? ?
N9 C7 N9 87.6653 ?_??? . ?_??? ?
N9 C7 N3 84.6327 ?_??? . ?_??? ?
N9 C7 C7 71.3667 ?_??? . ?_??? ?
N9 C7 C7 108.6333 ?_??? . ?_??? ?
N9 C7 C21 98.3821 ?_??? . ?_??? ?
N9 C7 C22 133.5141 ?_??? . ?_??? ?
N9 C7 O34 65.2287 ?_??? . ?_??? ?
N3 C7 C13 115.0148 ?_??? . ?_??? ?
N3 C7 C5 96.7599 ?_??? . ?_??? ?
N3 C7 C1 32.309 ?_??? . ?_??? ?
N3 C7 C17 86.6049 ?_??? . ?_??? ?
N3 C7 C16 143.0426 ?_??? . ?_??? ?
N3 C7 C2 64.5448 ?_??? . ?_??? ?
N3 C7 N4 22.0813 ?_??? . ?_??? ?
N3 C7 N10 106.916 ?_??? . ?_??? ?
N3 C7 N9 88.3587 ?_??? . ?_??? ?
N3 C7 N3 83.6555 ?_??? . ?_??? ?
N3 C7 C7 104.6956 ?_??? . ?_??? ?
N3 C7 C7 75.3044 ?_??? . ?_??? ?
N3 C7 C21 132.1988 ?_??? . ?_??? ?
N3 C7 C22 97.2166 ?_??? . ?_??? ?
N3 C7 O34 64.0081 ?_??? . ?_??? ?
C13 C7 C5 148.1905 ?_??? . ?_??? ?
C13 C7 C1 147.224 ?_??? . ?_??? ?
C13 C7 C17 28.4553 ?_??? . ?_??? ?
C13 C7 C16 28.291 ?_??? . ?_??? ?
C13 C7 C2 178.0336 ?_??? . ?_??? ?
C13 C7 N4 136.9689 ?_??? . ?_??? ?
C13 C7 N10 138.0471 ?_??? . ?_??? ?
C13 C7 N9 93.2166 ?_??? . ?_??? ?
C13 C7 N3 105.1919 ?_??? . ?_??? ?
C13 C7 C7 95.8713 ?_??? . ?_??? ?
C13 C7 C7 84.1287 ?_??? . ?_??? ?
C13 C7 C21 17.5779 ?_??? . ?_??? ?
C13 C7 C22 17.8022 ?_??? . ?_??? ?
C13 C7 O34 178.7458 ?_??? . ?_??? ?
C5 C7 C1 64.4724 ?_??? . ?_??? ?
C5 C7 C17 176.6327 ?_??? . ?_??? ?
C5 C7 C16 119.9324 ?_??? . ?_??? ?
C5 C7 C2 32.2203 ?_??? . ?_??? ?
C5 C7 N4 74.7293 ?_??? . ?_??? ?
C5 C7 N10 10.1569 ?_??? . ?_??? ?
C5 C7 N9 85.9143 ?_??? . ?_??? ?
C5 C7 N3 78.6189 ?_??? . ?_??? ?
C5 C7 C7 76.4334 ?_??? . ?_??? ?
C5 C7 C7 103.5666 ?_??? . ?_??? ?
C5 C7 C21 130.7349 ?_??? . ?_??? ?
C5 C7 C22 165.893 ?_??? . ?_??? ?
C5 C7 O34 32.758 ?_??? . ?_??? ?
C1 C7 C17 118.8944 ?_??? . ?_??? ?
C1 C7 C16 173.2287 ?_??? . ?_??? ?
C1 C7 C2 32.2525 ?_??? . ?_??? ?
C1 C7 N4 10.2607 ?_??? . ?_??? ?
C1 C7 N10 74.6289 ?_??? . ?_??? ?
C1 C7 N9 85.2177 ?_??? . ?_??? ?
C1 C7 N3 79.1638 ?_??? . ?_??? ?
C1 C7 C7 97.0268 ?_??? . ?_??? ?
C1 C7 C7 82.9732 ?_??? . ?_??? ?
C1 C7 C21 163.6905 ?_??? . ?_??? ?
C1 C7 C22 129.4314 ?_??? . ?_??? ?
C1 C7 O34 31.7573 ?_??? . ?_??? ?
C17 C7 C16 56.7247 ?_??? . ?_??? ?
C17 C7 C2 151.1462 ?_??? . ?_??? ?
C17 C7 N4 108.6377 ?_??? . ?_??? ?
C17 C7 N10 166.4767 ?_??? . ?_??? ?
C17 C7 N9 94.3321 ?_??? . ?_??? ?
C17 C7 N3 101.6967 ?_??? . ?_??? ?
C17 C7 C7 102.6327 ?_??? . ?_??? ?
C17 C7 C7 77.3673 ?_??? . ?_??? ?
C17 C7 C21 45.9329 ?_??? . ?_??? ?
C17 C7 C22 10.8066 ?_??? . ?_??? ?
C17 C7 O34 150.6033 ?_??? . ?_??? ?
C16 C7 C2 151.883 ?_??? . ?_??? ?
C16 C7 N4 164.2989 ?_??? . ?_??? ?
C16 C7 N10 109.8154 ?_??? . ?_??? ?
C16 C7 N9 89.9121 ?_??? . ?_??? ?
C16 C7 N3 106.3977 ?_??? . ?_??? ?
C16 C7 C7 89.2034 ?_??? . ?_??? ?
C16 C7 C7 90.7967 ?_??? . ?_??? ?
C16 C7 C21 10.852 ?_??? . ?_??? ?
C16 C7 C22 45.9874 ?_??? . ?_??? ?
C16 C7 O34 152.5806 ?_??? . ?_??? ?
C2 C7 N4 42.5108 ?_??? . ?_??? ?
C2 C7 N10 42.3771 ?_??? . ?_??? ?
C2 C7 N9 84.8681 ?_??? . ?_??? ?
C2 C7 N3 76.7217 ?_??? . ?_??? ?
C2 C7 C7 86.085 ?_??? . ?_??? ?
C2 C7 C7 93.9151 ?_??? . ?_??? ?
C2 C7 C21 162.3958 ?_??? . ?_??? ?
C2 C7 C22 161.6046 ?_??? . ?_??? ?
C2 C7 O34 1.2454 ?_??? . ?_??? ?
N4 C7 N10 84.8853 ?_??? . ?_??? ?
N4 C7 N9 85.4082 ?_??? . ?_??? ?
N4 C7 N3 80.9576 ?_??? . ?_??? ?
N4 C7 C7 100.4733 ?_??? . ?_??? ?
N4 C7 C7 79.5267 ?_??? . ?_??? ?
N4 C7 C21 153.7394 ?_??? . ?_??? ?
N4 C7 C22 119.1727 ?_??? . ?_??? ?
N4 C7 O34 42.0173 ?_??? . ?_??? ?
N10 C7 N9 86.4807 ?_??? . ?_??? ?
N10 C7 N3 80.0604 ?_??? . ?_??? ?
N10 C7 C7 74.1512 ?_??? . ?_??? ?
N10 C7 C7 105.8488 ?_??? . ?_??? ?
N10 C7 C21 120.6366 ?_??? . ?_??? ?
N10 C7 C22 155.8027 ?_??? . ?_??? ?
N10 C7 O34 42.9109 ?_??? . ?_??? ?
N9 C7 N3 161.5892 ?_??? . ?_??? ?
N9 C7 C7 159.032 ?_??? . ?_??? ?
N9 C7 C7 20.968 ?_??? . ?_??? ?
N9 C7 C21 89.8444 ?_??? . ?_??? ?
N9 C7 C22 92.5782 ?_??? . ?_??? ?
N9 C7 O34 85.9954 ?_??? . ?_??? ?
N3 C7 C7 21.0401 ?_??? . ?_??? ?
N3 C7 C7 158.96 ?_??? . ?_??? ?
N3 C7 C21 107.7943 ?_??? . ?_??? ?
N3 C7 C22 104.8426 ?_??? . ?_??? ?
N3 C7 O34 75.5939 ?_??? . ?_??? ?
C7 C7 C7 180 ?_??? . ?_??? ?
C7 C7 C21 93.1404 ?_??? . ?_??? ?
C7 C7 C22 101.7671 ?_??? . ?_??? ?
C7 C7 O34 85.1913 ?_??? . ?_??? ?
C7 C7 C21 86.8596 ?_??? . ?_??? ?
C7 C7 C22 78.2329 ?_??? . ?_??? ?
C7 C7 O34 94.8087 ?_??? . ?_??? ?
C21 C7 C22 35.1689 ?_??? . ?_??? ?
C21 C7 O34 163.207 ?_??? . ?_??? ?
C22 C7 O34 161.1861 ?_??? . ?_??? ?
N4 C8 N12 128.9205 ?_??? . ?_??? ?
N4 C8 C14 116.2131 ?_??? . ?_??? ?
N4 C8 O34 90.5268 ?_??? . ?_??? ?
N4 C8 C1 32.5659 ?_??? . ?_??? ?
N4 C8 C6 96.7605 ?_??? . ?_??? ?
N4 C8 C19 144.1711 ?_??? . ?_??? ?
N4 C8 C18 88.3689 ?_??? . ?_??? ?
N4 C8 C2 64.7108 ?_??? . ?_??? ?
N4 C8 N12 97.6414 ?_??? . ?_??? ?
N4 C8 N3 22.2892 ?_??? . ?_??? ?
N4 C8 N11 107.2587 ?_??? . ?_??? ?
N4 C8 C14 106.8129 ?_??? . ?_??? ?
N4 C8 O34 84.2477 ?_??? . ?_??? ?
N4 C8 C6 88.208 ?_??? . ?_??? ?
N4 C8 C8 95.8436 ?_??? . ?_??? ?
N4 C8 C8 84.1564 ?_??? . ?_??? ?
N4 C8 C24 133.7079 ?_??? . ?_??? ?
N4 C8 C23 99.0508 ?_??? . ?_??? ?
N4 C8 C18 94.6759 ?_??? . ?_??? ?
N12 C8 C14 114.8664 ?_??? . ?_??? ?
N12 C8 O34 38.4062 ?_??? . ?_??? ?
N12 C8 C1 96.3736 ?_??? . ?_??? ?
N12 C8 C6 32.1912 ?_??? . ?_??? ?
N12 C8 C19 86.6902 ?_??? . ?_??? ?
N12 C8 C18 142.4986 ?_??? . ?_??? ?
N12 C8 C2 64.2637 ?_??? . ?_??? ?
N12 C8 N12 90.091 ?_??? . ?_??? ?
N12 C8 N3 106.6325 ?_??? . ?_??? ?
N12 C8 N11 21.6823 ?_??? . ?_??? ?
N12 C8 C14 78.3701 ?_??? . ?_??? ?
N12 C8 O34 83.3507 ?_??? . ?_??? ?
N12 C8 C6 80.7431 ?_??? . ?_??? ?
N12 C8 C8 68.8426 ?_??? . ?_??? ?
N12 C8 C8 111.1574 ?_??? . ?_??? ?
N12 C8 C24 97.3156 ?_??? . ?_??? ?
N12 C8 C23 131.9408 ?_??? . ?_??? ?
N12 C8 C18 99.7284 ?_??? . ?_??? ?
C14 C8 O34 153.24 ?_??? . ?_??? ?
C14 C8 C1 148.7368 ?_??? . ?_??? ?
C14 C8 C6 146.9909 ?_??? . ?_??? ?
C14 C8 C19 28.4879 ?_??? . ?_??? ?
C14 C8 C18 28.1617 ?_??? . ?_??? ?
C14 C8 C2 177.2952 ?_??? . ?_??? ?
C14 C8 N12 80.9654 ?_??? . ?_??? ?
C14 C8 N3 138.5003 ?_??? . ?_??? ?
C14 C8 N11 136.5153 ?_??? . ?_??? ?
C14 C8 C14 83.989 ?_??? . ?_??? ?
C14 C8 O34 104.4936 ?_??? . ?_??? ?
C14 C8 C6 102.8165 ?_??? . ?_??? ?
C14 C8 C8 107.3133 ?_??? . ?_??? ?
C14 C8 C8 72.6867 ?_??? . ?_??? ?
C14 C8 C24 17.7052 ?_??? . ?_??? ?
C14 C8 C23 17.4172 ?_??? . ?_??? ?
C14 C8 C18 73.1546 ?_??? . ?_??? ?
O34 C8 C1 57.9689 ?_??? . ?_??? ?
O34 C8 C6 6.2537 ?_??? . ?_??? ?
O34 C8 C19 124.8546 ?_??? . ?_??? ?
O34 C8 C18 176.5305 ?_??? . ?_??? ?
O34 C8 C2 25.8712 ?_??? . ?_??? ?
O34 C8 N12 95.1533 ?_??? . ?_??? ?
O34 C8 N3 68.2381 ?_??? . ?_??? ?
O34 C8 N11 16.7319 ?_??? . ?_??? ?
O34 C8 C14 89.4057 ?_??? . ?_??? ?
O34 C8 O34 75.7105 ?_??? . ?_??? ?
O34 C8 C6 75.5356 ?_??? . ?_??? ?
O34 C8 C8 68.5652 ?_??? . ?_??? ?
O34 C8 C8 111.4348 ?_??? . ?_??? ?
O34 C8 C24 135.5883 ?_??? . ?_??? ?
O34 C8 C23 170.2062 ?_??? . ?_??? ?
O34 C8 C18 107.458 ?_??? . ?_??? ?
C1 C8 C6 64.1972 ?_??? . ?_??? ?
C1 C8 C19 173.6655 ?_??? . ?_??? ?
C1 C8 C18 120.9109 ?_??? . ?_??? ?
C1 C8 C2 32.1473 ?_??? . ?_??? ?
C1 C8 N12 98.6221 ?_??? . ?_??? ?
C1 C8 N3 10.3023 ?_??? . ?_??? ?
C1 C8 N11 74.6994 ?_??? . ?_??? ?
C1 C8 C14 104.5029 ?_??? . ?_??? ?
C1 C8 O34 76.7806 ?_??? . ?_??? ?
C1 C8 C6 80.1039 ?_??? . ?_??? ?
C1 C8 C8 84.2661 ?_??? . ?_??? ?
C1 C8 C8 95.7339 ?_??? . ?_??? ?
C1 C8 C24 165.8275 ?_??? . ?_??? ?
C1 C8 C23 131.6122 ?_??? . ?_??? ?
C1 C8 C18 103.9628 ?_??? . ?_??? ?
C6 C8 C19 118.6027 ?_??? . ?_??? ?
C6 C8 C18 174.1658 ?_??? . ?_??? ?
C6 C8 C2 32.0725 ?_??? . ?_??? ?
C6 C8 N12 93.7947 ?_??? . ?_??? ?
C6 C8 N3 74.474 ?_??? . ?_??? ?
C6 C8 N11 10.509 ?_??? . ?_??? ?
C6 C8 C14 88.0865 ?_??? . ?_??? ?
C6 C8 O34 75.9602 ?_??? . ?_??? ?
C6 C8 C6 75.3415 ?_??? . ?_??? ?
C6 C8 C8 68.5361 ?_??? . ?_??? ?
C6 C8 C8 111.4639 ?_??? . ?_??? ?
C6 C8 C24 129.3345 ?_??? . ?_??? ?
C6 C8 C23 164.1131 ?_??? . ?_??? ?
C6 C8 C18 107.2971 ?_??? . ?_??? ?
C19 C8 C18 56.6495 ?_??? . ?_??? ?
C19 C8 C2 150.1367 ?_??? . ?_??? ?
C19 C8 N12 75.7785 ?_??? . ?_??? ?
C19 C8 N3 165.9316 ?_??? . ?_??? ?
C19 C8 N11 108.2004 ?_??? . ?_??? ?
C19 C8 C14 81.5202 ?_??? . ?_??? ?
C19 C8 O34 98.1385 ?_??? . ?_??? ?
C19 C8 C6 94.971 ?_??? . ?_??? ?
C19 C8 C8 102.0262 ?_??? . ?_??? ?
C19 C8 C8 77.9738 ?_??? . ?_??? ?
C19 C8 C24 10.7909 ?_??? . ?_??? ?
C19 C8 C23 45.9023 ?_??? . ?_??? ?
C19 C8 C18 80.8946 ?_??? . ?_??? ?
C18 C8 C2 153.0383 ?_??? . ?_??? ?
C18 C8 N12 88.2542 ?_??? . ?_??? ?
C18 C8 N3 110.61 ?_??? . ?_??? ?
C18 C8 N11 164.044 ?_??? . ?_??? ?
C18 C8 C14 87.7663 ?_??? . ?_??? ?
C18 C8 O34 107.4375 ?_??? . ?_??? ?
C18 C8 C6 107.709 ?_??? . ?_??? ?
C18 C8 C8 108.2749 ?_??? . ?_??? ?
C18 C8 C8 71.7251 ?_??? . ?_??? ?
C18 C8 C24 45.8641 ?_??? . ?_??? ?
C18 C8 C23 10.7525 ?_??? . ?_??? ?
C18 C8 C18 69.3698 ?_??? . ?_??? ?
C2 C8 N12 96.4243 ?_??? . ?_??? ?
C2 C8 N3 42.442 ?_??? . ?_??? ?
C2 C8 N11 42.5813 ?_??? . ?_??? ?
C2 C8 C14 98.2198 ?_??? . ?_??? ?
C2 C8 O34 72.9458 ?_??? . ?_??? ?
C2 C8 C6 74.5717 ?_??? . ?_??? ?
C2 C8 C8 74.9043 ?_??? . ?_??? ?
C2 C8 C8 105.0957 ?_??? . ?_??? ?
C2 C8 C24 160.9054 ?_??? . ?_??? ?
C2 C8 C23 163.759 ?_??? . ?_??? ?
C2 C8 C18 109.4405 ?_??? . ?_??? ?
N12 C8 N3 99.2174 ?_??? . ?_??? ?
N12 C8 N11 92.7091 ?_??? . ?_??? ?
N12 C8 C14 155.0875 ?_??? . ?_??? ?
N12 C8 O34 23.7737 ?_??? . ?_??? ?
N12 C8 C6 21.8526 ?_??? . ?_??? ?
N12 C8 C8 158.9336 ?_??? . ?_??? ?
N12 C8 C8 21.0664 ?_??? . ?_??? ?
N12 C8 C24 77.7256 ?_??? . ?_??? ?
N12 C8 C23 85.6511 ?_??? . ?_??? ?
N12 C8 C18 154.1006 ?_??? . ?_??? ?
N3 C8 N11 84.97 ?_??? . ?_??? ?
N3 C8 C14 105.1992 ?_??? . ?_??? ?
N3 C8 O34 79.3882 ?_??? . ?_??? ?
N3 C8 C6 83.0375 ?_??? . ?_??? ?
N3 C8 C8 87.3349 ?_??? . ?_??? ?
N3 C8 C8 92.6651 ?_??? . ?_??? ?
N3 C8 C24 155.9019 ?_??? . ?_??? ?
N3 C8 C23 121.317 ?_??? . ?_??? ?
N3 C8 C18 100.7769 ?_??? . ?_??? ?
N11 C8 C14 84.6662 ?_??? . ?_??? ?
N11 C8 O34 78.0483 ?_??? . ?_??? ?
N11 C8 C6 76.7167 ?_??? . ?_??? ?
N11 C8 C8 67.7841 ?_??? . ?_??? ?
N11 C8 C8 112.2159 ?_??? . ?_??? ?
N11 C8 C24 118.8975 ?_??? . ?_??? ?
N11 C8 C23 153.6133 ?_??? . ?_??? ?
N11 C8 C18 105.2638 ?_??? . ?_??? ?
C14 C8 O34 161.7106 ?_??? . ?_??? ?
C14 C8 C6 158.9777 ?_??? . ?_??? ?
C14 C8 C8 23.3243 ?_??? . ?_??? ?
C14 C8 C8 156.6758 ?_??? . ?_??? ?
C14 C8 C24 81.9018 ?_??? . ?_??? ?
C14 C8 C23 85.8837 ?_??? . ?_??? ?
C14 C8 C18 21.4371 ?_??? . ?_??? ?
O34 C8 C6 3.9609 ?_??? . ?_??? ?
O34 C8 C8 144.2758 ?_??? . ?_??? ?
O34 C8 C8 35.7242 ?_??? . ?_??? ?
O34 C8 C24 101.1876 ?_??? . ?_??? ?
O34 C8 C23 107.1214 ?_??? . ?_??? ?
O34 C8 C18 176.6879 ?_??? . ?_??? ?
C6 C8 C8 143.8776 ?_??? . ?_??? ?
C6 C8 C8 36.1224 ?_??? . ?_??? ?
C6 C8 C24 98.5007 ?_??? . ?_??? ?
C6 C8 C23 106.618 ?_??? . ?_??? ?
C6 C8 C18 175.7882 ?_??? . ?_??? ?
C8 C8 C8 180 ?_??? . ?_??? ?
C8 C8 C24 104.1247 ?_??? . ?_??? ?
C8 C8 C23 108.1172 ?_??? . ?_??? ?
C8 C8 C18 38.9051 ?_??? . ?_??? ?
C8 C8 C24 75.8753 ?_??? . ?_??? ?
C8 C8 C23 71.8828 ?_??? . ?_??? ?
C8 C8 C18 141.0949 ?_??? . ?_??? ?
C24 C8 C23 35.1146 ?_??? . ?_??? ?
C24 C8 C18 77.2878 ?_??? . ?_??? ?
C23 C8 C18 69.9219 ?_??? . ?_??? ?
C7 N9 C5 115.5135 ?_??? . ?_??? ?
C7 N9 N10 145.2136 ?_??? . ?_??? ?
C7 N9 C2 84.7715 ?_??? . ?_??? ?
C7 N9 C13 34.0564 ?_??? . ?_??? ?
C7 N9 N3 25.5 ?_??? . ?_??? ?
C7 N9 C1 54.5212 ?_??? . ?_??? ?
C7 N9 C16 63.8772 ?_??? . ?_??? ?
C7 N9 O34 94.0631 ?_??? . ?_??? ?
C7 N9 C15 132.7267 ?_??? . ?_??? ?
C7 N9 C7 87.6653 ?_??? . ?_??? ?
C7 N9 C6 95.9161 ?_??? . ?_??? ?
C7 N9 Na32 131.3036 ?_??? . ?_??? ?
C7 N9 C17 23.5373 ?_??? . ?_??? ?
C7 N9 N9 108.6333 ?_??? . ?_??? ?
C7 N9 N9 71.3667 ?_??? . ?_??? ?
C7 N9 N3 74.5887 ?_??? . ?_??? ?
C5 N9 N10 29.7013 ?_??? . ?_??? ?
C5 N9 C2 30.7482 ?_??? . ?_??? ?
C5 N9 C13 149.5505 ?_??? . ?_??? ?
C5 N9 N3 90.0136 ?_??? . ?_??? ?
C5 N9 C1 61.0023 ?_??? . ?_??? ?
C5 N9 C16 176.4105 ?_??? . ?_??? ?
C5 N9 O34 21.4583 ?_??? . ?_??? ?
C5 N9 C15 17.2405 ?_??? . ?_??? ?
C5 N9 C7 94.562 ?_??? . ?_??? ?
C5 N9 C6 19.5991 ?_??? . ?_??? ?
C5 N9 Na32 95.8932 ?_??? . ?_??? ?
C5 N9 C17 139.0506 ?_??? . ?_??? ?
C5 N9 N9 85.4787 ?_??? . ?_??? ?
C5 N9 N9 94.5213 ?_??? . ?_??? ?
C5 N9 N3 85.5106 ?_??? . ?_??? ?
N10 N9 C2 60.4477 ?_??? . ?_??? ?
N10 N9 C13 179.0284 ?_??? . ?_??? ?
N10 N9 N3 119.7142 ?_??? . ?_??? ?
N10 N9 C1 90.7019 ?_??? . ?_??? ?
N10 N9 C16 150.7924 ?_??? . ?_??? ?
N10 N9 O34 51.1509 ?_??? . ?_??? ?
N10 N9 C15 12.4984 ?_??? . ?_??? ?
N10 N9 C7 93.9601 ?_??? . ?_??? ?
N10 N9 C6 49.2976 ?_??? . ?_??? ?
N10 N9 Na32 72.8278 ?_??? . ?_??? ?
N10 N9 C17 168.7474 ?_??? . ?_??? ?
N10 N9 N9 76.7828 ?_??? . ?_??? ?
N10 N9 N9 103.2172 ?_??? . ?_??? ?
N10 N9 N3 95.3382 ?_??? . ?_??? ?
C2 N9 C13 118.8028 ?_??? . ?_??? ?
C2 N9 N3 59.2728 ?_??? . ?_??? ?
C2 N9 C1 30.2543 ?_??? . ?_??? ?
C2 N9 C16 148.3381 ?_??? . ?_??? ?
C2 N9 O34 9.3738 ?_??? . ?_??? ?
C2 N9 C15 47.9835 ?_??? . ?_??? ?
C2 N9 C7 94.3379 ?_??? . ?_??? ?
C2 N9 C6 11.1803 ?_??? . ?_??? ?
C2 N9 Na32 118.7082 ?_??? . ?_??? ?
C2 N9 C17 108.3082 ?_??? . ?_??? ?
C2 N9 N9 95.9909 ?_??? . ?_??? ?
C2 N9 N9 84.0091 ?_??? . ?_??? ?
C2 N9 N3 76.9059 ?_??? . ?_??? ?
C13 N9 N3 59.5503 ?_??? . ?_??? ?
C13 N9 C1 88.5494 ?_??? . ?_??? ?
C13 N9 C16 29.873 ?_??? . ?_??? ?
C13 N9 O34 128.1147 ?_??? . ?_??? ?
C13 N9 C15 166.7816 ?_??? . ?_??? ?
C13 N9 C7 86.6958 ?_??? . ?_??? ?
C13 N9 C6 129.9629 ?_??? . ?_??? ?
C13 N9 Na32 107.3245 ?_??? . ?_??? ?
C13 N9 C17 10.5508 ?_??? . ?_??? ?
C13 N9 N9 104.008 ?_??? . ?_??? ?
C13 N9 N9 75.992 ?_??? . ?_??? ?
C13 N9 N3 85.0164 ?_??? . ?_??? ?
N3 N9 C1 29.0285 ?_??? . ?_??? ?
N3 N9 C16 89.3227 ?_??? . ?_??? ?
N3 N9 O34 68.5651 ?_??? . ?_??? ?
N3 N9 C15 107.2314 ?_??? . ?_??? ?
N3 N9 C7 89.6259 ?_??? . ?_??? ?
N3 N9 C6 70.4166 ?_??? . ?_??? ?
N3 N9 Na32 141.2545 ?_??? . ?_??? ?
N3 N9 C17 49.0372 ?_??? . ?_??? ?
N3 N9 N9 108.4855 ?_??? . ?_??? ?
N3 N9 N9 71.5145 ?_??? . ?_??? ?
N3 N9 N3 70.6602 ?_??? . ?_??? ?
C1 N9 C16 118.2103 ?_??? . ?_??? ?
C1 N9 O34 39.5769 ?_??? . ?_??? ?
C1 N9 C15 78.235 ?_??? . ?_??? ?
C1 N9 C7 92.7963 ?_??? . ?_??? ?
C1 N9 C6 41.4167 ?_??? . ?_??? ?
C1 N9 Na32 136.2184 ?_??? . ?_??? ?
C1 N9 C17 78.0559 ?_??? . ?_??? ?
C1 N9 N9 104.7223 ?_??? . ?_??? ?
C1 N9 N9 75.2777 ?_??? . ?_??? ?
C1 N9 N3 71.787 ?_??? . ?_??? ?
C16 N9 O34 157.7118 ?_??? . ?_??? ?
C16 N9 C15 163.2449 ?_??? . ?_??? ?
C16 N9 C7 88.9613 ?_??? . ?_??? ?
C16 N9 C6 159.492 ?_??? . ?_??? ?
C16 N9 Na32 82.4483 ?_??? . ?_??? ?
C16 N9 C17 40.4233 ?_??? . ?_??? ?
C16 N9 N9 98.0767 ?_??? . ?_??? ?
C16 N9 N9 81.9233 ?_??? . ?_??? ?
C16 N9 N3 97.5932 ?_??? . ?_??? ?
O34 N9 C15 38.667 ?_??? . ?_??? ?
O34 N9 C7 93.489 ?_??? . ?_??? ?
O34 N9 C6 1.8846 ?_??? . ?_??? ?
O34 N9 Na32 112.7954 ?_??? . ?_??? ?
O34 N9 C17 117.5977 ?_??? . ?_??? ?
O34 N9 N9 91.8531 ?_??? . ?_??? ?
O34 N9 N9 88.1469 ?_??? . ?_??? ?
O34 N9 N3 78.2214 ?_??? . ?_??? ?
C15 N9 C7 93.6099 ?_??? . ?_??? ?
C15 N9 C6 36.8197 ?_??? . ?_??? ?
C15 N9 Na32 82.9021 ?_??? . ?_??? ?
C15 N9 C17 156.2514 ?_??? . ?_??? ?
C15 N9 N9 79.4385 ?_??? . ?_??? ?
C15 N9 N9 100.5615 ?_??? . ?_??? ?
C15 N9 N3 90.5267 ?_??? . ?_??? ?
C7 N9 C6 93.898 ?_??? . ?_??? ?
C7 N9 Na32 127.7556 ?_??? . ?_??? ?
C7 N9 C17 86.196 ?_??? . ?_??? ?
C7 N9 N9 20.968 ?_??? . ?_??? ?
C7 N9 N9 159.032 ?_??? . ?_??? ?
C7 N9 N3 21.0538 ?_??? . ?_??? ?
C6 N9 Na32 111.1786 ?_??? . ?_??? ?
C6 N9 C17 119.4524 ?_??? . ?_??? ?
C6 N9 N9 91.5791 ?_??? . ?_??? ?
C6 N9 N9 88.4209 ?_??? . ?_??? ?
C6 N9 N3 79.0871 ?_??? . ?_??? ?
Na32 N9 C17 115.7769 ?_??? . ?_??? ?
Na32 N9 N9 110.1384 ?_??? . ?_??? ?
Na32 N9 N9 69.8616 ?_??? . ?_??? ?
Na32 N9 N3 147.8711 ?_??? . ?_??? ?
C17 N9 N9 105.3924 ?_??? . ?_??? ?
C17 N9 N9 74.6076 ?_??? . ?_??? ?
C17 N9 N3 80.8031 ?_??? . ?_??? ?
N9 N9 N9 180 ?_??? . ?_??? ?
N9 N9 N3 37.8253 ?_??? . ?_??? ?
N9 N9 N3 142.1747 ?_??? . ?_??? ?
C15 N10 C5 115.5101 ?_??? . ?_??? ?
C15 N10 N9 145.1964 ?_??? . ?_??? ?
C15 N10 C2 84.9238 ?_??? . ?_??? ?
C15 N10 C20 34.1153 ?_??? . ?_??? ?
C15 N10 N11 25.4121 ?_??? . ?_??? ?
C15 N10 O34 59.4704 ?_??? . ?_??? ?
C15 N10 C6 54.6272 ?_??? . ?_??? ?
C15 N10 C26 63.9773 ?_??? . ?_??? ?
C15 N10 C7 132.7395 ?_??? . ?_??? ?
C15 N10 C5 94.4553 ?_??? . ?_??? ?
C15 N10 C1 95.9165 ?_??? . ?_??? ?
C15 N10 C25 23.966 ?_??? . ?_??? ?
C15 N10 C2 81.9606 ?_??? . ?_??? ?
C15 N10 Na32 135.0571 ?_??? . ?_??? ?
C15 N10 N10 85.2723 ?_??? . ?_??? ?
C15 N10 N10 94.7277 ?_??? . ?_??? ?
C15 N10 Na32 127.8644 ?_??? . ?_??? ?
C5 N10 N9 29.7188 ?_??? . ?_??? ?
C5 N10 C2 30.6225 ?_??? . ?_??? ?
C5 N10 C20 149.5893 ?_??? . ?_??? ?
C5 N10 N11 90.0986 ?_??? . ?_??? ?
C5 N10 O34 56.0475 ?_??? . ?_??? ?
C5 N10 C6 60.9039 ?_??? . ?_??? ?
C5 N10 C26 178.9804 ?_??? . ?_??? ?
C5 N10 C7 17.2519 ?_??? . ?_??? ?
C5 N10 C5 87.3341 ?_??? . ?_??? ?
C5 N10 C1 19.6263 ?_??? . ?_??? ?
C5 N10 C25 139.3193 ?_??? . ?_??? ?
C5 N10 C2 76.5749 ?_??? . ?_??? ?
C5 N10 Na32 93.2504 ?_??? . ?_??? ?
C5 N10 N10 108.5666 ?_??? . ?_??? ?
C5 N10 N10 71.4334 ?_??? . ?_??? ?
C5 N10 Na32 111.6785 ?_??? . ?_??? ?
N9 N10 C2 60.3397 ?_??? . ?_??? ?
N9 N10 C20 179.3073 ?_??? . ?_??? ?
N9 N10 N11 119.7896 ?_??? . ?_??? ?
N9 N10 O34 85.7614 ?_??? . ?_??? ?
N9 N10 C6 90.6214 ?_??? . ?_??? ?
N9 N10 C26 150.8186 ?_??? . ?_??? ?
N9 N10 C7 12.4683 ?_??? . ?_??? ?
N9 N10 C5 84.7874 ?_??? . ?_??? ?
N9 N10 C1 49.3418 ?_??? . ?_??? ?
N9 N10 C25 169.0116 ?_??? . ?_??? ?
N9 N10 C2 84.9719 ?_??? . ?_??? ?
N9 N10 Na32 70.0197 ?_??? . ?_??? ?
N9 N10 N10 103.2172 ?_??? . ?_??? ?
N9 N10 N10 76.7828 ?_??? . ?_??? ?
N9 N10 Na32 83.6712 ?_??? . ?_??? ?
C2 N10 C20 118.9682 ?_??? . ?_??? ?
C2 N10 N11 59.5282 ?_??? . ?_??? ?
C2 N10 O34 25.4589 ?_??? . ?_??? ?
C2 N10 C6 30.297 ?_??? . ?_??? ?
C2 N10 C26 148.8058 ?_??? . ?_??? ?
C2 N10 C7 47.8742 ?_??? . ?_??? ?
C2 N10 C5 91.0909 ?_??? . ?_??? ?
C2 N10 C1 10.9982 ?_??? . ?_??? ?
C2 N10 C25 108.6975 ?_??? . ?_??? ?
C2 N10 C2 71.9384 ?_??? . ?_??? ?
C2 N10 Na32 116.4867 ?_??? . ?_??? ?
C2 N10 N10 109.272 ?_??? . ?_??? ?
C2 N10 N10 70.728 ?_??? . ?_??? ?
C2 N10 Na32 139.74 ?_??? . ?_??? ?
C20 N10 N11 59.5211 ?_??? . ?_??? ?
C20 N10 O34 93.5475 ?_??? . ?_??? ?
C20 N10 C6 88.6872 ?_??? . ?_??? ?
C20 N10 C26 29.8718 ?_??? . ?_??? ?
C20 N10 C7 166.8403 ?_??? . ?_??? ?
C20 N10 C5 95.2937 ?_??? . ?_??? ?
C20 N10 C1 129.9661 ?_??? . ?_??? ?
C20 N10 C25 10.2959 ?_??? . ?_??? ?
C20 N10 C2 94.8434 ?_??? . ?_??? ?
C20 N10 Na32 110.4808 ?_??? . ?_??? ?
C20 N10 N10 76.9905 ?_??? . ?_??? ?
C20 N10 N10 103.0095 ?_??? . ?_??? ?
C20 N10 Na32 96.9937 ?_??? . ?_??? ?
N11 N10 O34 34.0695 ?_??? . ?_??? ?
N11 N10 C6 29.2429 ?_??? . ?_??? ?
N11 N10 C26 89.3884 ?_??? . ?_??? ?
N11 N10 C7 107.3286 ?_??? . ?_??? ?
N11 N10 C5 93.4863 ?_??? . ?_??? ?
N11 N10 C1 70.5145 ?_??? . ?_??? ?
N11 N10 C25 49.3233 ?_??? . ?_??? ?
N11 N10 C2 74.4365 ?_??? . ?_??? ?
N11 N10 Na32 144.396 ?_??? . ?_??? ?
N11 N10 N10 93.2724 ?_??? . ?_??? ?
N11 N10 N10 86.7276 ?_??? . ?_??? ?
N11 N10 Na32 148.7147 ?_??? . ?_??? ?
O34 N10 C6 4.8803 ?_??? . ?_??? ?
O34 N10 C26 123.4168 ?_??? . ?_??? ?
O34 N10 C7 73.2933 ?_??? . ?_??? ?
O34 N10 C5 92.3841 ?_??? . ?_??? ?
O34 N10 C1 36.4466 ?_??? . ?_??? ?
O34 N10 C25 83.3016 ?_??? . ?_??? ?
O34 N10 C2 70.3437 ?_??? . ?_??? ?
O34 N10 Na32 134.1099 ?_??? . ?_??? ?
O34 N10 N10 104.0023 ?_??? . ?_??? ?
O34 N10 N10 75.9977 ?_??? . ?_??? ?
O34 N10 Na32 157.1973 ?_??? . ?_??? ?
C6 N10 C26 118.5526 ?_??? . ?_??? ?
C6 N10 C7 78.1531 ?_??? . ?_??? ?
C6 N10 C5 93.2765 ?_??? . ?_??? ?
C6 N10 C1 41.292 ?_??? . ?_??? ?
C6 N10 C25 78.4344 ?_??? . ?_??? ?
C6 N10 C2 71.1844 ?_??? . ?_??? ?
C6 N10 Na32 136.2405 ?_??? . ?_??? ?
C6 N10 N10 103.3286 ?_??? . ?_??? ?
C6 N10 N10 76.6714 ?_??? . ?_??? ?
C6 N10 Na32 159.4435 ?_??? . ?_??? ?
C26 N10 C7 163.283 ?_??? . ?_??? ?
C26 N10 C5 93.5765 ?_??? . ?_??? ?
C26 N10 C1 159.7881 ?_??? . ?_??? ?
C26 N10 C25 40.1193 ?_??? . ?_??? ?
C26 N10 C2 104.129 ?_??? . ?_??? ?
C26 N10 Na32 86.6568 ?_??? . ?_??? ?
C26 N10 N10 72.3447 ?_??? . ?_??? ?
C26 N10 N10 107.6553 ?_??? . ?_??? ?
C26 N10 Na32 69.1397 ?_??? . ?_??? ?
C7 N10 C5 85.5801 ?_??? . ?_??? ?
C7 N10 C1 36.8772 ?_??? . ?_??? ?
C7 N10 C25 156.568 ?_??? . ?_??? ?
C7 N10 C2 81.0323 ?_??? . ?_??? ?
C7 N10 Na32 79.735 ?_??? . ?_??? ?
C7 N10 N10 105.8488 ?_??? . ?_??? ?
C7 N10 N10 74.1512 ?_??? . ?_??? ?
C7 N10 Na32 95.4 ?_??? . ?_??? ?
C5 N10 C1 89.8893 ?_??? . ?_??? ?
C5 N10 C25 96.7021 ?_??? . ?_??? ?
C5 N10 C2 22.0947 ?_??? . ?_??? ?
C5 N10 Na32 122.0616 ?_??? . ?_??? ?
C5 N10 N10 21.2325 ?_??? . ?_??? ?
C5 N10 N10 158.7675 ?_??? . ?_??? ?
C5 N10 Na32 66.5976 ?_??? . ?_??? ?
C1 N10 C25 119.693 ?_??? . ?_??? ?
C1 N10 C2 73.2274 ?_??? . ?_??? ?
C1 N10 Na32 108.2681 ?_??? . ?_??? ?
C1 N10 N10 109.8555 ?_??? . ?_??? ?
C1 N10 N10 70.1445 ?_??? . ?_??? ?
C1 N10 Na32 129.9745 ?_??? . ?_??? ?
C25 N10 C2 92.3265 ?_??? . ?_??? ?
C25 N10 Na32 117.4897 ?_??? . ?_??? ?
C25 N10 N10 80.5502 ?_??? . ?_??? ?
C25 N10 N10 99.4498 ?_??? . ?_??? ?
C25 N10 Na32 106.9458 ?_??? . ?_??? ?
C2 N10 Na32 140.6405 ?_??? . ?_??? ?
C2 N10 N10 37.3336 ?_??? . ?_??? ?
C2 N10 N10 142.6664 ?_??? . ?_??? ?
C2 N10 Na32 88.6114 ?_??? . ?_??? ?
Na32 N10 N10 118.8941 ?_??? . ?_??? ?
Na32 N10 N10 61.1059 ?_??? . ?_??? ?
Na32 N10 Na32 59.6143 ?_??? . ?_??? ?
N10 N10 N10 180 ?_??? . ?_??? ?
N10 N10 Na32 59.2798 ?_??? . ?_??? ?
N10 N10 Na32 120.7202 ?_??? . ?_??? ?
C15 N11 C6 115.1151 ?_??? . ?_??? ?
C15 N11 O34 107.7745 ?_??? . ?_??? ?
C15 N11 N12 145.175 ?_??? . ?_??? ?
C15 N11 C2 84.79 ?_??? . ?_??? ?
C15 N11 C20 34.4107 ?_??? . ?_??? ?
C15 N11 N10 25.4186 ?_??? . ?_??? ?
C15 N11 C5 54.5918 ?_??? . ?_??? ?
C15 N11 C25 64.2322 ?_??? . ?_??? ?
C15 N11 C6 88.04 ?_??? . ?_??? ?
C15 N11 C8 132.9404 ?_??? . ?_??? ?
C15 N11 N12 109.7552 ?_??? . ?_??? ?
C15 N11 C1 96.2304 ?_??? . ?_??? ?
C15 N11 C26 23.9043 ?_??? . ?_??? ?
C15 N11 C15 79.9847 ?_??? . ?_??? ?
C15 N11 N11 79.3056 ?_??? . ?_??? ?
C15 N11 N11 100.6944 ?_??? . ?_??? ?
C6 N11 O34 7.5014 ?_??? . ?_??? ?
C6 N11 N12 30.1444 ?_??? . ?_??? ?
C6 N11 C2 30.3838 ?_??? . ?_??? ?
C6 N11 C20 149.2607 ?_??? . ?_??? ?
C6 N11 N10 89.7479 ?_??? . ?_??? ?
C6 N11 C5 60.6227 ?_??? . ?_??? ?
C6 N11 C25 173.6436 ?_??? . ?_??? ?
C6 N11 C6 90.4538 ?_??? . ?_??? ?
C6 N11 C8 17.862 ?_??? . ?_??? ?
C6 N11 N12 79.8673 ?_??? . ?_??? ?
C6 N11 C1 19.0112 ?_??? . ?_??? ?
C6 N11 C26 138.9056 ?_??? . ?_??? ?
C6 N11 C15 77.423 ?_??? . ?_??? ?
C6 N11 N11 111.697 ?_??? . ?_??? ?
C6 N11 N11 68.3031 ?_??? . ?_??? ?
O34 N11 N12 37.5746 ?_??? . ?_??? ?
O34 N11 C2 22.9861 ?_??? . ?_??? ?
O34 N11 C20 142.0725 ?_??? . ?_??? ?
O34 N11 N10 82.3738 ?_??? . ?_??? ?
O34 N11 C5 53.2167 ?_??? . ?_??? ?
O34 N11 C25 170.5958 ?_??? . ?_??? ?
O34 N11 C6 88.62 ?_??? . ?_??? ?
O34 N11 C8 25.2991 ?_??? . ?_??? ?
O34 N11 N12 80.6029 ?_??? . ?_??? ?
O34 N11 C1 11.5602 ?_??? . ?_??? ?
O34 N11 C26 131.6335 ?_??? . ?_??? ?
O34 N11 C15 76.8366 ?_??? . ?_??? ?
O34 N11 N11 109.6857 ?_??? . ?_??? ?
O34 N11 N11 70.3143 ?_??? . ?_??? ?
N12 N11 C2 60.528 ?_??? . ?_??? ?
N12 N11 C20 175.1195 ?_??? . ?_??? ?
N12 N11 N10 119.8757 ?_??? . ?_??? ?
N12 N11 C5 90.7671 ?_??? . ?_??? ?
N12 N11 C25 149.6815 ?_??? . ?_??? ?
N12 N11 C6 93.1209 ?_??? . ?_??? ?
N12 N11 C8 12.2826 ?_??? . ?_??? ?
N12 N11 N12 74.3838 ?_??? . ?_??? ?
N12 N11 C1 49.1324 ?_??? . ?_??? ?
N12 N11 C26 168.4343 ?_??? . ?_??? ?
N12 N11 C15 86.027 ?_??? . ?_??? ?
N12 N11 N11 111.3414 ?_??? . ?_??? ?
N12 N11 N11 68.6586 ?_??? . ?_??? ?
C2 N11 C20 119.1296 ?_??? . ?_??? ?
C2 N11 N10 59.388 ?_??? . ?_??? ?
C2 N11 C5 30.2401 ?_??? . ?_??? ?
C2 N11 C25 148.6353 ?_??? . ?_??? ?
C2 N11 C6 87.4728 ?_??? . ?_??? ?
C2 N11 C8 48.2454 ?_??? . ?_??? ?
C2 N11 N12 87.8942 ?_??? . ?_??? ?
C2 N11 C1 11.4456 ?_??? . ?_??? ?
C2 N11 C26 108.6633 ?_??? . ?_??? ?
C2 N11 C15 72.2496 ?_??? . ?_??? ?
C2 N11 N11 105.7596 ?_??? . ?_??? ?
C2 N11 N11 74.2404 ?_??? . ?_??? ?
C20 N11 N10 59.823 ?_??? . ?_??? ?
C20 N11 C5 88.989 ?_??? . ?_??? ?
C20 N11 C25 29.8416 ?_??? . ?_??? ?
C20 N11 C6 91.7198 ?_??? . ?_??? ?
C20 N11 C8 166.5911 ?_??? . ?_??? ?
C20 N11 N12 110.4851 ?_??? . ?_??? ?
C20 N11 C1 130.5745 ?_??? . ?_??? ?
C20 N11 C26 10.5112 ?_??? . ?_??? ?
C20 N11 C15 89.2697 ?_??? . ?_??? ?
C20 N11 N11 73.5281 ?_??? . ?_??? ?
C20 N11 N11 106.4719 ?_??? . ?_??? ?
N10 N11 C5 29.1736 ?_??? . ?_??? ?
N10 N11 C25 89.6182 ?_??? . ?_??? ?
N10 N11 C6 86.3794 ?_??? . ?_??? ?
N10 N11 C8 107.6022 ?_??? . ?_??? ?
N10 N11 N12 105.2188 ?_??? . ?_??? ?
N10 N11 C1 70.822 ?_??? . ?_??? ?
N10 N11 C26 49.3212 ?_??? . ?_??? ?
N10 N11 C15 74.4644 ?_??? . ?_??? ?
N10 N11 N11 86.7276 ?_??? . ?_??? ?
N10 N11 N11 93.2724 ?_??? . ?_??? ?
C5 N11 C25 118.7427 ?_??? . ?_??? ?
C5 N11 C6 85.5352 ?_??? . ?_??? ?
C5 N11 C8 78.4847 ?_??? . ?_??? ?
C5 N11 N12 96.7559 ?_??? . ?_??? ?
C5 N11 C1 41.6589 ?_??? . ?_??? ?
C5 N11 C26 78.4922 ?_??? . ?_??? ?
C5 N11 C15 71.69 ?_??? . ?_??? ?
C5 N11 N11 96.0511 ?_??? . ?_??? ?
C5 N11 N11 83.9489 ?_??? . ?_??? ?
C25 N11 C6 95.818 ?_??? . ?_??? ?
C25 N11 C8 161.5055 ?_??? . ?_??? ?
C25 N11 N12 106.3943 ?_??? . ?_??? ?
C25 N11 C1 159.9499 ?_??? . ?_??? ?
C25 N11 C26 40.351 ?_??? . ?_??? ?
C25 N11 C15 96.318 ?_??? . ?_??? ?
C25 N11 N11 74.5783 ?_??? . ?_??? ?
C25 N11 N11 105.4217 ?_??? . ?_??? ?
C6 N11 C8 92.0492 ?_??? . ?_??? ?
C6 N11 N12 21.7843 ?_??? . ?_??? ?
C6 N11 C1 87.5256 ?_??? . ?_??? ?
C6 N11 C26 90.3316 ?_??? . ?_??? ?
C6 N11 C15 157.1852 ?_??? . ?_??? ?
C6 N11 N11 21.2432 ?_??? . ?_??? ?
C6 N11 N11 158.7568 ?_??? . ?_??? ?
C8 N11 N12 76.1275 ?_??? . ?_??? ?
C8 N11 C1 36.8536 ?_??? . ?_??? ?
C8 N11 C26 156.5912 ?_??? . ?_??? ?
C8 N11 C15 82.3135 ?_??? . ?_??? ?
C8 N11 N11 112.2159 ?_??? . ?_??? ?
C8 N11 N11 67.7841 ?_??? . ?_??? ?
N12 N11 C1 83.7071 ?_??? . ?_??? ?
N12 N11 C26 110.8296 ?_??? . ?_??? ?
N12 N11 C15 157.2875 ?_??? . ?_??? ?
N12 N11 N11 36.9576 ?_??? . ?_??? ?
N12 N11 N11 143.0424 ?_??? . ?_??? ?
C1 N11 C26 120.1085 ?_??? . ?_??? ?
C1 N11 C15 74.689 ?_??? . ?_??? ?
C1 N11 N11 107.6054 ?_??? . ?_??? ?
C1 N11 N11 72.3946 ?_??? . ?_??? ?
C26 N11 C15 86.5176 ?_??? . ?_??? ?
C26 N11 N11 74.4731 ?_??? . ?_??? ?
C26 N11 N11 105.5269 ?_??? . ?_??? ?
C15 N11 N11 159.2904 ?_??? . ?_??? ?
C15 N11 N11 20.7096 ?_??? . ?_??? ?
N11 N11 N11 180 ?_??? . ?_??? ?
C8 N12 C6 115.6987 ?_??? . ?_??? ?
C8 N12 O34 106.7571 ?_??? . ?_??? ?
C8 N12 N11 146.0351 ?_??? . ?_??? ?
C8 N12 C2 85.1688 ?_??? . ?_??? ?
C8 N12 C14 34.4342 ?_??? . ?_??? ?
C8 N12 N4 25.5058 ?_??? . ?_??? ?
C8 N12 C1 54.7837 ?_??? . ?_??? ?
C8 N12 C19 64.4132 ?_??? . ?_??? ?
C8 N12 C8 90.091 ?_??? . ?_??? ?
C8 N12 C15 133.505 ?_??? . ?_??? ?
C8 N12 O37 124.6694 ?_??? . ?_??? ?
C8 N12 C14 79.9919 ?_??? . ?_??? ?
C8 N12 N11 99.3319 ?_??? . ?_??? ?
C8 N12 C6 77.8326 ?_??? . ?_??? ?
C8 N12 C5 96.4936 ?_??? . ?_??? ?
C8 N12 C18 24.6117 ?_??? . ?_??? ?
C8 N12 O34 75.4166 ?_??? . ?_??? ?
C8 N12 N12 111.1574 ?_??? . ?_??? ?
C8 N12 N12 68.8426 ?_??? . ?_??? ?
C8 N12 C19 92.2906 ?_??? . ?_??? ?
C6 N12 O34 9.0119 ?_??? . ?_??? ?
C6 N12 N11 30.3366 ?_??? . ?_??? ?
C6 N12 C2 30.53 ?_??? . ?_??? ?
C6 N12 C14 150.0562 ?_??? . ?_??? ?
C6 N12 N4 90.2219 ?_??? . ?_??? ?
C6 N12 C1 60.9361 ?_??? . ?_??? ?
C6 N12 C19 173.4542 ?_??? . ?_??? ?
C6 N12 C8 83.6643 ?_??? . ?_??? ?
C6 N12 C15 17.8539 ?_??? . ?_??? ?
C6 N12 O37 114.3089 ?_??? . ?_??? ?
C6 N12 C14 107.9806 ?_??? . ?_??? ?
C6 N12 N11 73.1708 ?_??? . ?_??? ?
C6 N12 C6 84.003 ?_??? . ?_??? ?
C6 N12 C5 19.2053 ?_??? . ?_??? ?
C6 N12 C18 140.2182 ?_??? . ?_??? ?
C6 N12 O34 82.5811 ?_??? . ?_??? ?
C6 N12 N12 75.0019 ?_??? . ?_??? ?
C6 N12 N12 104.9981 ?_??? . ?_??? ?
C6 N12 C19 118.4268 ?_??? . ?_??? ?
O34 N12 N11 39.2866 ?_??? . ?_??? ?
O34 N12 C2 21.616 ?_??? . ?_??? ?
O34 N12 C14 141.1689 ?_??? . ?_??? ?
O34 N12 N4 81.2621 ?_??? . ?_??? ?
O34 N12 C1 51.9754 ?_??? . ?_??? ?
O34 N12 C19 169.5244 ?_??? . ?_??? ?
O34 N12 C8 82.1266 ?_??? . ?_??? ?
O34 N12 C15 26.8537 ?_??? . ?_??? ?
O34 N12 O37 122.8898 ?_??? . ?_??? ?
O34 N12 C14 106.191 ?_??? . ?_??? ?
O34 N12 N11 74.9093 ?_??? . ?_??? ?
O34 N12 C6 82.6396 ?_??? . ?_??? ?
O34 N12 C5 10.341 ?_??? . ?_??? ?
O34 N12 C18 131.2314 ?_??? . ?_??? ?
O34 N12 O34 80.688 ?_??? . ?_??? ?
O34 N12 N12 76.6213 ?_??? . ?_??? ?
O34 N12 N12 103.3787 ?_??? . ?_??? ?
O34 N12 C19 119.721 ?_??? . ?_??? ?
N11 N12 C2 60.8663 ?_??? . ?_??? ?
N11 N12 C14 178.3554 ?_??? . ?_??? ?
N11 N12 N4 120.5484 ?_??? . ?_??? ?
N11 N12 C1 91.2611 ?_??? . ?_??? ?
N11 N12 C19 149.1138 ?_??? . ?_??? ?
N11 N12 C8 85.9539 ?_??? . ?_??? ?
N11 N12 C15 12.5787 ?_??? . ?_??? ?
N11 N12 O37 86.3799 ?_??? . ?_??? ?
N11 N12 C14 106.715 ?_??? . ?_??? ?
N11 N12 N11 74.3838 ?_??? . ?_??? ?
N11 N12 C6 93.1277 ?_??? . ?_??? ?
N11 N12 C5 49.5418 ?_??? . ?_??? ?
N11 N12 C18 170.4112 ?_??? . ?_??? ?
N11 N12 O34 93.5688 ?_??? . ?_??? ?
N11 N12 N12 68.6586 ?_??? . ?_??? ?
N11 N12 N12 111.3414 ?_??? . ?_??? ?
N11 N12 C19 105.765 ?_??? . ?_??? ?
C2 N12 C14 119.5577 ?_??? . ?_??? ?
C2 N12 N4 59.6976 ?_??? . ?_??? ?
C2 N12 C1 30.4208 ?_??? . ?_??? ?
C2 N12 C19 148.798 ?_??? . ?_??? ?
C2 N12 C8 82.9421 ?_??? . ?_??? ?
C2 N12 C15 48.3605 ?_??? . ?_??? ?
C2 N12 O37 140.947 ?_??? . ?_??? ?
C2 N12 C14 103.9886 ?_??? . ?_??? ?
C2 N12 N11 76.8753 ?_??? . ?_??? ?
C2 N12 C6 76.5447 ?_??? . ?_??? ?
C2 N12 C5 11.3263 ?_??? . ?_??? ?
C2 N12 C18 109.708 ?_??? . ?_??? ?
C2 N12 O34 73.5544 ?_??? . ?_??? ?
C2 N12 N12 85.1632 ?_??? . ?_??? ?
C2 N12 N12 94.8368 ?_??? . ?_??? ?
C2 N12 C19 123.1945 ?_??? . ?_??? ?
C14 N12 N4 59.94 ?_??? . ?_??? ?
C14 N12 C1 89.2118 ?_??? . ?_??? ?
C14 N12 C19 30.1453 ?_??? . ?_??? ?
C14 N12 C8 95.6679 ?_??? . ?_??? ?
C14 N12 C15 167.5924 ?_??? . ?_??? ?
C14 N12 O37 92.6169 ?_??? . ?_??? ?
C14 N12 C14 74.8069 ?_??? . ?_??? ?
C14 N12 N11 104.0898 ?_??? . ?_??? ?
C14 N12 C6 85.4884 ?_??? . ?_??? ?
C14 N12 C5 130.8687 ?_??? . ?_??? ?
C14 N12 C18 10.4236 ?_??? . ?_??? ?
C14 N12 O34 85.109 ?_??? . ?_??? ?
C14 N12 N12 112.8656 ?_??? . ?_??? ?
C14 N12 N12 67.1344 ?_??? . ?_??? ?
C14 N12 C19 75.4014 ?_??? . ?_??? ?
N4 N12 C1 29.2874 ?_??? . ?_??? ?
N4 N12 C19 89.8553 ?_??? . ?_??? ?
N4 N12 C8 85.8302 ?_??? . ?_??? ?
N4 N12 C15 108.0578 ?_??? . ?_??? ?
N4 N12 O37 146.7082 ?_??? . ?_??? ?
N4 N12 C14 86.1945 ?_??? . ?_??? ?
N4 N12 N11 93.5976 ?_??? . ?_??? ?
N4 N12 C6 74.7657 ?_??? . ?_??? ?
N4 N12 C5 71.0236 ?_??? . ?_??? ?
N4 N12 C18 50.0128 ?_??? . ?_??? ?
N4 N12 O34 71.3052 ?_??? . ?_??? ?
N4 N12 N12 104.8689 ?_??? . ?_??? ?
N4 N12 N12 75.1311 ?_??? . ?_??? ?
N4 N12 C19 104.6649 ?_??? . ?_??? ?
C1 N12 C19 118.9692 ?_??? . ?_??? ?
C1 N12 C8 82.9653 ?_??? . ?_??? ?
C1 N12 C15 78.7785 ?_??? . ?_??? ?
C1 N12 O37 159.0321 ?_??? . ?_??? ?
C1 N12 C14 95.0642 ?_??? . ?_??? ?
C1 N12 N11 85.295 ?_??? . ?_??? ?
C1 N12 C6 73.9776 ?_??? . ?_??? ?
C1 N12 C5 41.7436 ?_??? . ?_??? ?
C1 N12 C18 79.289 ?_??? . ?_??? ?
C1 N12 O34 70.2049 ?_??? . ?_??? ?
C1 N12 N12 95.3401 ?_??? . ?_??? ?
C1 N12 N12 84.6599 ?_??? . ?_??? ?
C1 N12 C19 116.741 ?_??? . ?_??? ?
C19 N12 C8 102.8687 ?_??? . ?_??? ?
C19 N12 C15 160.681 ?_??? . ?_??? ?
C19 N12 O37 63.1893 ?_??? . ?_??? ?
C19 N12 C14 78.5549 ?_??? . ?_??? ?
C19 N12 N11 100.2922 ?_??? . ?_??? ?
C19 N12 C6 89.7031 ?_??? . ?_??? ?
C19 N12 C5 159.6577 ?_??? . ?_??? ?
C19 N12 C18 40.472 ?_??? . ?_??? ?
C19 N12 O34 91.2466 ?_??? . ?_??? ?
C19 N12 N12 111.2811 ?_??? . ?_??? ?
C19 N12 N12 68.7189 ?_??? . ?_??? ?
C19 N12 C19 67.8316 ?_??? . ?_??? ?
C8 N12 C15 86.0294 ?_??? . ?_??? ?
C8 N12 O37 117.5746 ?_??? . ?_??? ?
C8 N12 C14 24.318 ?_??? . ?_??? ?
C8 N12 N11 156.8292 ?_??? . ?_??? ?
C8 N12 C6 156.9047 ?_??? . ?_??? ?
C8 N12 C5 83.1287 ?_??? . ?_??? ?
C8 N12 C18 91.2275 ?_??? . ?_??? ?
C8 N12 O34 153.1558 ?_??? . ?_??? ?
C8 N12 N12 21.0664 ?_??? . ?_??? ?
C8 N12 N12 158.9336 ?_??? . ?_??? ?
C8 N12 C19 40.2663 ?_??? . ?_??? ?
C15 N12 O37 97.4961 ?_??? . ?_??? ?
C15 N12 C14 109.0633 ?_??? . ?_??? ?
C15 N12 N11 72.0999 ?_??? . ?_??? ?
C15 N12 C6 88.178 ?_??? . ?_??? ?
C15 N12 C5 37.0353 ?_??? . ?_??? ?
C15 N12 C18 158.0673 ?_??? . ?_??? ?
C15 N12 O34 87.8652 ?_??? . ?_??? ?
C15 N12 N12 71.8184 ?_??? . ?_??? ?
C15 N12 N12 108.1816 ?_??? . ?_??? ?
C15 N12 C19 112.729 ?_??? . ?_??? ?
O37 N12 C14 105.5771 ?_??? . ?_??? ?
O37 N12 N11 73.9957 ?_??? . ?_??? ?
O37 N12 C6 85.3389 ?_??? . ?_??? ?
O37 N12 C5 131.3774 ?_??? . ?_??? ?
O37 N12 C18 103.0241 ?_??? . ?_??? ?
O37 N12 O34 89.1307 ?_??? . ?_??? ?
O37 N12 N12 103.134 ?_??? . ?_??? ?
O37 N12 N12 76.866 ?_??? . ?_??? ?
O37 N12 C19 83.8542 ?_??? . ?_??? ?
C14 N12 N11 178.8265 ?_??? . ?_??? ?
C14 N12 C6 157.697 ?_??? . ?_??? ?
C14 N12 C5 106.1612 ?_??? . ?_??? ?
C14 N12 C18 72.854 ?_??? . ?_??? ?
C14 N12 O34 155.4009 ?_??? . ?_??? ?
C14 N12 N12 38.0587 ?_??? . ?_??? ?
C14 N12 N12 141.9413 ?_??? . ?_??? ?
C14 N12 C19 21.723 ?_??? . ?_??? ?
N11 N12 C6 21.5459 ?_??? . ?_??? ?
N11 N12 C5 74.8437 ?_??? . ?_??? ?
N11 N12 C18 106.1354 ?_??? . ?_??? ?
N11 N12 O34 23.967 ?_??? . ?_??? ?
N11 N12 N12 143.0424 ?_??? . ?_??? ?
N11 N12 N12 36.9576 ?_??? . ?_??? ?
N11 N12 C19 157.8241 ?_??? . ?_??? ?
C6 N12 C5 78.84 ?_??? . ?_??? ?
C6 N12 C18 85.8718 ?_??? . ?_??? ?
C6 N12 O34 3.7966 ?_??? . ?_??? ?
C6 N12 N12 159.0049 ?_??? . ?_??? ?
C6 N12 N12 20.9952 ?_??? . ?_??? ?
C6 N12 C19 157.5246 ?_??? . ?_??? ?
C5 N12 C18 121.0324 ?_??? . ?_??? ?
C5 N12 O34 76.369 ?_??? . ?_??? ?
C5 N12 N12 81.2441 ?_??? . ?_??? ?
C5 N12 N12 98.7559 ?_??? . ?_??? ?
C5 N12 C19 122.7329 ?_??? . ?_??? ?
C18 N12 O34 84.8131 ?_??? . ?_??? ?
C18 N12 N12 110.2901 ?_??? . ?_??? ?
C18 N12 N12 69.7099 ?_??? . ?_??? ?
C18 N12 C19 77.4786 ?_??? . ?_??? ?
O34 N12 N12 157.3093 ?_??? . ?_??? ?
O34 N12 N12 22.6907 ?_??? . ?_??? ?
O34 N12 C19 158.9046 ?_??? . ?_??? ?
N12 N12 N12 180 ?_??? . ?_??? ?
N12 N12 C19 43.4495 ?_??? . ?_??? ?
N12 N12 C19 136.5505 ?_??? . ?_??? ?
C16 C13 C17 117.7701 ?_??? . ?_??? ?
C16 C13 C7 121.2429 ?_??? . ?_??? ?
C16 C13 C21 30.4835 ?_??? . ?_??? ?
C16 C13 C22 87.3049 ?_??? . ?_??? ?
C16 C13 N3 151.6018 ?_??? . ?_??? ?
C16 C13 N9 91.1332 ?_??? . ?_??? ?
C16 C13 N27 58.9498 ?_??? . ?_??? ?
C16 C13 C17 92.3338 ?_??? . ?_??? ?
C16 C13 C1 140.7594 ?_??? . ?_??? ?
C16 C13 C5 101.9571 ?_??? . ?_??? ?
C16 C13 C13 82.2694 ?_??? . ?_??? ?
C16 C13 C13 97.7306 ?_??? . ?_??? ?
C17 C13 C7 120.9209 ?_??? . ?_??? ?
C17 C13 C21 87.2938 ?_??? . ?_??? ?
C17 C13 C22 30.4751 ?_??? . ?_??? ?
C17 C13 N3 90.2689 ?_??? . ?_??? ?
C17 C13 N9 151.0948 ?_??? . ?_??? ?
C17 C13 N27 58.8397 ?_??? . ?_??? ?
C17 C13 C17 84.7289 ?_??? . ?_??? ?
C17 C13 C1 101.1273 ?_??? . ?_??? ?
C17 C13 C5 140.2383 ?_??? . ?_??? ?
C17 C13 C13 106.523 ?_??? . ?_??? ?
C17 C13 C13 73.477 ?_??? . ?_??? ?
C7 C13 C21 151.5804 ?_??? . ?_??? ?
C7 C13 C22 151.2359 ?_??? . ?_??? ?
C7 C13 N3 30.6979 ?_??? . ?_??? ?
C7 C13 N9 30.2088 ?_??? . ?_??? ?
C7 C13 N27 176.1332 ?_??? . ?_??? ?
C7 C13 C17 95.3217 ?_??? . ?_??? ?
C7 C13 C1 19.9207 ?_??? . ?_??? ?
C7 C13 C5 19.3188 ?_??? . ?_??? ?
C7 C13 C13 84.1287 ?_??? . ?_??? ?
C7 C13 C13 95.8713 ?_??? . ?_??? ?
C21 C13 C22 56.823 ?_??? . ?_??? ?
C21 C13 N3 174.0992 ?_??? . ?_??? ?
C21 C13 N9 121.6017 ?_??? . ?_??? ?
C21 C13 N27 28.4668 ?_??? . ?_??? ?
C21 C13 C17 90.2986 ?_??? . ?_??? ?
C21 C13 C1 169.6712 ?_??? . ?_??? ?
C21 C13 C5 132.3857 ?_??? . ?_??? ?
C21 C13 C13 91.2962 ?_??? . ?_??? ?
C21 C13 C13 88.7038 ?_??? . ?_??? ?
C22 C13 N3 120.542 ?_??? . ?_??? ?
C22 C13 N9 178.0612 ?_??? . ?_??? ?
C22 C13 N27 28.3646 ?_??? . ?_??? ?
C22 C13 C17 86.1894 ?_??? . ?_??? ?
C22 C13 C1 131.3249 ?_??? . ?_??? ?
C22 C13 C5 170.4099 ?_??? . ?_??? ?
C22 C13 C13 104.9132 ?_??? . ?_??? ?
C22 C13 C13 75.0868 ?_??? . ?_??? ?
N3 C13 N9 60.902 ?_??? . ?_??? ?
N3 C13 N27 148.5412 ?_??? . ?_??? ?
N3 C13 C17 94.8304 ?_??? . ?_??? ?
N3 C13 C1 10.8778 ?_??? . ?_??? ?
N3 C13 C5 50.0008 ?_??? . ?_??? ?
N3 C13 C13 94.5496 ?_??? . ?_??? ?
N3 C13 C13 85.4504 ?_??? . ?_??? ?
N9 C13 N27 150.0272 ?_??? . ?_??? ?
N9 C13 C17 95.0258 ?_??? . ?_??? ?
N9 C13 C1 50.083 ?_??? . ?_??? ?
N9 C13 C5 10.9078 ?_??? . ?_??? ?
N9 C13 C13 75.992 ?_??? . ?_??? ?
N9 C13 C13 104.008 ?_??? . ?_??? ?
N27 C13 C17 88.5106 ?_??? . ?_??? ?
N27 C13 C1 158.9652 ?_??? . ?_??? ?
N27 C13 C5 160.6662 ?_??? . ?_??? ?
N27 C13 C13 99.6657 ?_??? . ?_??? ?
N27 C13 C13 80.3343 ?_??? . ?_??? ?
C17 C13 C1 96.3754 ?_??? . ?_??? ?
C17 C13 C5 95.807 ?_??? . ?_??? ?
C17 C13 C13 21.7941 ?_??? . ?_??? ?
C17 C13 C13 158.2059 ?_??? . ?_??? ?
C1 C13 C5 39.1757 ?_??? . ?_??? ?
C1 C13 C13 92.0031 ?_??? . ?_??? ?
C1 C13 C13 87.9969 ?_??? . ?_??? ?
C5 C13 C13 79.0938 ?_??? . ?_??? ?
C5 C13 C13 100.9062 ?_??? . ?_??? ?
C13 C13 C13 180 ?_??? . ?_??? ?
C18 C14 C19 117.6729 ?_??? . ?_??? ?
C18 C14 C8 121.4232 ?_??? . ?_??? ?
C18 C14 N12 151.4332 ?_??? . ?_??? ?
C18 C14 C24 87.1918 ?_??? . ?_??? ?
C18 C14 C23 30.4412 ?_??? . ?_??? ?
C18 C14 N4 91.7135 ?_??? . ?_??? ?
C18 C14 N28 58.7406 ?_??? . ?_??? ?
C18 C14 N12 109.1545 ?_??? . ?_??? ?
C18 C14 C8 87.601 ?_??? . ?_??? ?
C18 C14 C6 141.3149 ?_??? . ?_??? ?
C18 C14 C1 102.777 ?_??? . ?_??? ?
C18 C14 O34 137.4396 ?_??? . ?_??? ?
C18 C14 C18 82.741 ?_??? . ?_??? ?
C18 C14 C14 104.3442 ?_??? . ?_??? ?
C18 C14 C14 75.6558 ?_??? . ?_??? ?
C18 C14 C23 72.4617 ?_??? . ?_??? ?
C19 C14 C8 120.9036 ?_??? . ?_??? ?
C19 C14 N12 90.5192 ?_??? . ?_??? ?
C19 C14 C24 30.484 ?_??? . ?_??? ?
C19 C14 C23 87.2345 ?_??? . ?_??? ?
C19 C14 N4 150.3032 ?_??? . ?_??? ?
C19 C14 N28 58.9351 ?_??? . ?_??? ?
C19 C14 N12 86.9172 ?_??? . ?_??? ?
C19 C14 C8 98.8288 ?_??? . ?_??? ?
C19 C14 C6 100.9454 ?_??? . ?_??? ?
C19 C14 C1 139.393 ?_??? . ?_??? ?
C19 C14 O34 104.8386 ?_??? . ?_??? ?
C19 C14 C18 103.5912 ?_??? . ?_??? ?
C19 C14 C14 93.2754 ?_??? . ?_??? ?
C19 C14 C14 86.7246 ?_??? . ?_??? ?
C19 C14 C23 91.4895 ?_??? . ?_??? ?
C8 C14 N12 30.6994 ?_??? . ?_??? ?
C8 C14 C24 151.379 ?_??? . ?_??? ?
C8 C14 C23 151.856 ?_??? . ?_??? ?
C8 C14 N4 30.0299 ?_??? . ?_??? ?
C8 C14 N28 179.3152 ?_??? . ?_??? ?
C8 C14 N12 74.7165 ?_??? . ?_??? ?
C8 C14 C8 83.989 ?_??? . ?_??? ?
C8 C14 C6 20.0592 ?_??? . ?_??? ?
C8 C14 C1 18.9814 ?_??? . ?_??? ?
C8 C14 O34 16.1617 ?_??? . ?_??? ?
C8 C14 C18 83.8816 ?_??? . ?_??? ?
C8 C14 C14 72.6867 ?_??? . ?_??? ?
C8 C14 C14 107.3133 ?_??? . ?_??? ?
C8 C14 C23 105.3319 ?_??? . ?_??? ?
N12 C14 C24 120.8377 ?_??? . ?_??? ?
N12 C14 C23 174.3083 ?_??? . ?_??? ?
N12 C14 N4 60.7293 ?_??? . ?_??? ?
N12 C14 N28 149.0283 ?_??? . ?_??? ?
N12 C14 N12 74.8069 ?_??? . ?_??? ?
N12 C14 C8 92.761 ?_??? . ?_??? ?
N12 C14 C6 10.708 ?_??? . ?_??? ?
N12 C14 C1 49.67 ?_??? . ?_??? ?
N12 C14 O34 14.5656 ?_??? . ?_??? ?
N12 C14 C18 86.3248 ?_??? . ?_??? ?
N12 C14 C14 67.1344 ?_??? . ?_??? ?
N12 C14 C14 112.8656 ?_??? . ?_??? ?
N12 C14 C23 104.2502 ?_??? . ?_??? ?
C24 C14 C23 56.7515 ?_??? . ?_??? ?
C24 C14 N4 175.8435 ?_??? . ?_??? ?
C24 C14 N28 28.4516 ?_??? . ?_??? ?
C24 C14 N12 97.7275 ?_??? . ?_??? ?
C24 C14 C8 99.0141 ?_??? . ?_??? ?
C24 C14 C6 131.3697 ?_??? . ?_??? ?
C24 C14 C1 169.5278 ?_??? . ?_??? ?
C24 C14 O34 135.2691 ?_??? . ?_??? ?
C24 C14 C18 100.6734 ?_??? . ?_??? ?
C24 C14 C14 101.4826 ?_??? . ?_??? ?
C24 C14 C14 78.5174 ?_??? . ?_??? ?
C24 C14 C23 81.3433 ?_??? . ?_??? ?
C23 C14 N4 122.087 ?_??? . ?_??? ?
C23 C14 N28 28.2999 ?_??? . ?_??? ?
C23 C14 N12 110.2631 ?_??? . ?_??? ?
C23 C14 C8 92.7513 ?_??? . ?_??? ?
C23 C14 C6 171.3691 ?_??? . ?_??? ?
C23 C14 C1 133.1708 ?_??? . ?_??? ?
C23 C14 O34 167.6709 ?_??? . ?_??? ?
C23 C14 C18 89.1191 ?_??? . ?_??? ?
C23 C14 C14 107.7565 ?_??? . ?_??? ?
C23 C14 C14 72.2435 ?_??? . ?_??? ?
C23 C14 C23 70.6049 ?_??? . ?_??? ?
N4 C14 N28 150.2307 ?_??? . ?_??? ?
N4 C14 N12 78.8398 ?_??? . ?_??? ?
N4 C14 C8 76.9261 ?_??? . ?_??? ?
N4 C14 C6 50.073 ?_??? . ?_??? ?
N4 C14 C1 11.0899 ?_??? . ?_??? ?
N4 C14 O34 46.1821 ?_??? . ?_??? ?
N4 C14 C18 83.1533 ?_??? . ?_??? ?
N4 C14 C14 82.6732 ?_??? . ?_??? ?
N4 C14 C14 97.3268 ?_??? . ?_??? ?
N4 C14 C23 102.1545 ?_??? . ?_??? ?
N28 C14 N12 105.8932 ?_??? . ?_??? ?
N28 C14 C8 96.6905 ?_??? . ?_??? ?
N28 C14 C6 159.6963 ?_??? . ?_??? ?
N28 C14 C1 161.3012 ?_??? . ?_??? ?
N28 C14 O34 163.586 ?_??? . ?_??? ?
N28 C14 C18 95.5029 ?_??? . ?_??? ?
N28 C14 C14 106.6337 ?_??? . ?_??? ?
N28 C14 C14 73.3663 ?_??? . ?_??? ?
N28 C14 C23 74.0482 ?_??? . ?_??? ?
N12 C14 C8 21.638 ?_??? . ?_??? ?
N12 C14 C6 73.2686 ?_??? . ?_??? ?
N12 C14 C1 76.1337 ?_??? . ?_??? ?
N12 C14 O34 73.5245 ?_??? . ?_??? ?
N12 C14 C18 158.5746 ?_??? . ?_??? ?
N12 C14 C14 141.9413 ?_??? . ?_??? ?
N12 C14 C14 38.0587 ?_??? . ?_??? ?
N12 C14 C23 178.1322 ?_??? . ?_??? ?
C8 C14 C6 88.7363 ?_??? . ?_??? ?
C8 C14 C1 78.4702 ?_??? . ?_??? ?
C8 C14 O34 87.9161 ?_??? . ?_??? ?
C8 C14 C18 157.5666 ?_??? . ?_??? ?
C8 C14 C14 156.6758 ?_??? . ?_??? ?
C8 C14 C14 23.3243 ?_??? . ?_??? ?
C8 C14 C23 160.0403 ?_??? . ?_??? ?
C6 C14 C1 38.9982 ?_??? . ?_??? ?
C6 C14 O34 3.9004 ?_??? . ?_??? ?
C6 C14 C18 86.2966 ?_??? . ?_??? ?
C6 C14 C14 69.3413 ?_??? . ?_??? ?
C6 C14 C14 110.6587 ?_??? . ?_??? ?
C6 C14 C23 106.1128 ?_??? . ?_??? ?
C1 C14 O34 35.1121 ?_??? . ?_??? ?
C1 C14 C18 83.9748 ?_??? . ?_??? ?
C1 C14 C14 79.3623 ?_??? . ?_??? ?
C1 C14 C14 100.6377 ?_??? . ?_??? ?
C1 C14 C23 104.5384 ?_??? . ?_??? ?
O34 C14 C18 85.6484 ?_??? . ?_??? ?
O34 C14 C14 69.6667 ?_??? . ?_??? ?
O34 C14 C14 110.3333 ?_??? . ?_??? ?
O34 C14 C23 105.9831 ?_??? . ?_??? ?
C18 C14 C14 21.6031 ?_??? . ?_??? ?
C18 C14 C14 158.3969 ?_??? . ?_??? ?
C18 C14 C23 21.4697 ?_??? . ?_??? ?
C14 C14 C14 180 ?_??? . ?_??? ?
C14 C14 C23 37.1517 ?_??? . ?_??? ?
C14 C14 C23 142.8484 ?_??? . ?_??? ?
N11 C15 N10 129.1693 ?_??? . ?_??? ?
N11 C15 C20 115.136 ?_??? . ?_??? ?
N11 C15 C6 32.6057 ?_??? . ?_??? ?
N11 C15 C5 96.7569 ?_??? . ?_??? ?
N11 C15 O34 38.6686 ?_??? . ?_??? ?
N11 C15 C26 143.5671 ?_??? . ?_??? ?
N11 C15 C25 87.1614 ?_??? . ?_??? ?
N11 C15 C2 64.672 ?_??? . ?_??? ?
N11 C15 N12 22.2463 ?_??? . ?_??? ?
N11 C15 N9 106.8699 ?_??? . ?_??? ?
N11 C15 C20 89.0795 ?_??? . ?_??? ?
N11 C15 C6 70.5836 ?_??? . ?_??? ?
N11 C15 N11 79.9847 ?_??? . ?_??? ?
N11 C15 C15 100.6944 ?_??? . ?_??? ?
N11 C15 C15 79.3056 ?_??? . ?_??? ?
N11 C15 C2 83.4157 ?_??? . ?_??? ?
N11 C15 C30 132.9602 ?_??? . ?_??? ?
N11 C15 C29 97.9513 ?_??? . ?_??? ?
N10 C15 C20 115.6772 ?_??? . ?_??? ?
N10 C15 C6 96.6192 ?_??? . ?_??? ?
N10 C15 C5 32.413 ?_??? . ?_??? ?
N10 C15 O34 90.5217 ?_??? . ?_??? ?
N10 C15 C26 87.2601 ?_??? . ?_??? ?
N10 C15 C25 143.5594 ?_??? . ?_??? ?
N10 C15 C2 64.5231 ?_??? . ?_??? ?
N10 C15 N12 107.0525 ?_??? . ?_??? ?
N10 C15 N9 22.3052 ?_??? . ?_??? ?
N10 C15 C20 95.4195 ?_??? . ?_??? ?
N10 C15 C6 98.9158 ?_??? . ?_??? ?
N10 C15 N11 108.0535 ?_??? . ?_??? ?
N10 C15 C15 94.7277 ?_??? . ?_??? ?
N10 C15 C15 85.2723 ?_??? . ?_??? ?
N10 C15 C2 77.3682 ?_??? . ?_??? ?
N10 C15 C30 97.8455 ?_??? . ?_??? ?
N10 C15 C29 132.7817 ?_??? . ?_??? ?
C20 C15 C6 147.5015 ?_??? . ?_??? ?
C20 C15 C5 148.0572 ?_??? . ?_??? ?
C20 C15 O34 153.6404 ?_??? . ?_??? ?
C20 C15 C26 28.4355 ?_??? . ?_??? ?
C20 C15 C25 28.0126 ?_??? . ?_??? ?
C20 C15 C2 176.7765 ?_??? . ?_??? ?
C20 C15 N12 137.0599 ?_??? . ?_??? ?
C20 C15 N9 137.9824 ?_??? . ?_??? ?
C20 C15 C20 83.2941 ?_??? . ?_??? ?
C20 C15 C6 103.2519 ?_??? . ?_??? ?
C20 C15 N11 82.2093 ?_??? . ?_??? ?
C20 C15 C15 73.2739 ?_??? . ?_??? ?
C20 C15 C15 106.7261 ?_??? . ?_??? ?
C20 C15 C2 114.3192 ?_??? . ?_??? ?
C20 C15 C30 17.8318 ?_??? . ?_??? ?
C20 C15 C29 17.2581 ?_??? . ?_??? ?
C6 C15 C5 64.2209 ?_??? . ?_??? ?
C6 C15 O34 6.1392 ?_??? . ?_??? ?
C6 C15 C26 175.2966 ?_??? . ?_??? ?
C6 C15 C25 119.5025 ?_??? . ?_??? ?
C6 C15 C2 32.0965 ?_??? . ?_??? ?
C6 C15 N12 10.452 ?_??? . ?_??? ?
C6 C15 N9 74.3579 ?_??? . ?_??? ?
C6 C15 C20 90.4894 ?_??? . ?_??? ?
C6 C15 C6 73.5162 ?_??? . ?_??? ?
C6 C15 N11 91.548 ?_??? . ?_??? ?
C6 C15 C15 109.2363 ?_??? . ?_??? ?
C6 C15 C15 70.7637 ?_??? . ?_??? ?
C6 C15 C2 74.6452 ?_??? . ?_??? ?
C6 C15 C30 165.0555 ?_??? . ?_??? ?
C6 C15 C29 130.2434 ?_??? . ?_??? ?
C5 C15 O34 58.1139 ?_??? . ?_??? ?
C5 C15 C26 119.6679 ?_??? . ?_??? ?
C5 C15 C25 174.8625 ?_??? . ?_??? ?
C5 C15 C2 32.1288 ?_??? . ?_??? ?
C5 C15 N12 74.6647 ?_??? . ?_??? ?
C5 C15 N9 10.144 ?_??? . ?_??? ?
C5 C15 C20 96.0819 ?_??? . ?_??? ?
C5 C15 C6 88.4179 ?_??? . ?_??? ?
C5 C15 N11 106.2879 ?_??? . ?_??? ?
C5 C15 C15 103.7453 ?_??? . ?_??? ?
C5 C15 C15 76.2547 ?_??? . ?_??? ?
C5 C15 C2 69.16 ?_??? . ?_??? ?
C5 C15 C30 130.2323 ?_??? . ?_??? ?
C5 C15 C29 164.8837 ?_??? . ?_??? ?
O34 C15 C26 177.0453 ?_??? . ?_??? ?
O34 C15 C25 125.6387 ?_??? . ?_??? ?
O34 C15 C2 26.0043 ?_??? . ?_??? ?
O34 C15 N12 16.5846 ?_??? . ?_??? ?
O34 C15 N9 68.2458 ?_??? . ?_??? ?
O34 C15 C20 91.7843 ?_??? . ?_??? ?
O34 C15 C6 73.6843 ?_??? . ?_??? ?
O34 C15 N11 92.7782 ?_??? . ?_??? ?
O34 C15 C15 109.1926 ?_??? . ?_??? ?
O34 C15 C15 70.8074 ?_??? . ?_??? ?
O34 C15 C2 72.4486 ?_??? . ?_??? ?
O34 C15 C30 171.097 ?_??? . ?_??? ?
O34 C15 C29 136.3823 ?_??? . ?_??? ?
C26 C15 C25 56.435 ?_??? . ?_??? ?
C26 C15 C2 151.6784 ?_??? . ?_??? ?
C26 C15 N12 165.3232 ?_??? . ?_??? ?
C26 C15 N9 109.5624 ?_??? . ?_??? ?
C26 C15 C20 86.4858 ?_??? . ?_??? ?
C26 C15 C6 108.5849 ?_??? . ?_??? ?
C26 C15 N11 89.7664 ?_??? . ?_??? ?
C26 C15 C15 72.9631 ?_??? . ?_??? ?
C26 C15 C15 107.0369 ?_??? . ?_??? ?
C26 C15 C2 108.9143 ?_??? . ?_??? ?
C26 C15 C30 10.6419 ?_??? . ?_??? ?
C26 C15 C29 45.6549 ?_??? . ?_??? ?
C25 C15 C2 151.4093 ?_??? . ?_??? ?
C25 C15 N12 109.0544 ?_??? . ?_??? ?
C25 C15 N9 165.7514 ?_??? . ?_??? ?
C25 C15 C20 80.6158 ?_??? . ?_??? ?
C25 C15 C6 96.0381 ?_??? . ?_??? ?
C25 C15 N11 77.6133 ?_??? . ?_??? ?
C25 C15 C15 78.6816 ?_??? . ?_??? ?
C25 C15 C15 101.3184 ?_??? . ?_??? ?
C25 C15 C2 114.7459 ?_??? . ?_??? ?
C25 C15 C30 45.8055 ?_??? . ?_??? ?
C25 C15 C29 10.7911 ?_??? . ?_??? ?
C2 C15 N12 42.5365 ?_??? . ?_??? ?
C2 C15 N9 42.2701 ?_??? . ?_??? ?
C2 C15 C20 93.4825 ?_??? . ?_??? ?
C2 C15 C6 79.7862 ?_??? . ?_??? ?
C2 C15 N11 100.8347 ?_??? . ?_??? ?
C2 C15 C15 109.9496 ?_??? . ?_??? ?
C2 C15 C15 70.0504 ?_??? . ?_??? ?
C2 C15 C2 68.9043 ?_??? . ?_??? ?
C2 C15 C30 162.0359 ?_??? . ?_??? ?
C2 C15 C29 161.9236 ?_??? . ?_??? ?
N12 C15 N9 84.804 ?_??? . ?_??? ?
N12 C15 C20 88.8764 ?_??? . ?_??? ?
N12 C15 C6 73.0707 ?_??? . ?_??? ?
N12 C15 N11 88.8317 ?_??? . ?_??? ?
N12 C15 C15 108.1816 ?_??? . ?_??? ?
N12 C15 C15 71.8184 ?_??? . ?_??? ?
N12 C15 C2 78.1681 ?_??? . ?_??? ?
N12 C15 C30 154.7238 ?_??? . ?_??? ?
N12 C15 C29 119.8031 ?_??? . ?_??? ?
N9 C15 C20 96.8005 ?_??? . ?_??? ?
N9 C15 C6 91.1131 ?_??? . ?_??? ?
N9 C15 N11 106.7457 ?_??? . ?_??? ?
N9 C15 C15 100.5615 ?_??? . ?_??? ?
N9 C15 C15 79.4385 ?_??? . ?_??? ?
N9 C15 C2 70.4268 ?_??? . ?_??? ?
N9 C15 C30 120.1506 ?_??? . ?_??? ?
N9 C15 C29 155.037 ?_??? . ?_??? ?
C20 C15 C6 159.575 ?_??? . ?_??? ?
C20 C15 N11 156.0274 ?_??? . ?_??? ?
C20 C15 C15 156.5679 ?_??? . ?_??? ?
C20 C15 C15 23.4321 ?_??? . ?_??? ?
C20 C15 C2 162.3867 ?_??? . ?_??? ?
C20 C15 C30 84.4331 ?_??? . ?_??? ?
C20 C15 C29 80.7081 ?_??? . ?_??? ?
C6 C15 N11 21.0487 ?_??? . ?_??? ?
C6 C15 C15 35.7201 ?_??? . ?_??? ?
C6 C15 C15 144.2799 ?_??? . ?_??? ?
C6 C15 C2 21.6129 ?_??? . ?_??? ?
C6 C15 C30 107.7777 ?_??? . ?_??? ?
C6 C15 C29 99.745 ?_??? . ?_??? ?
N11 C15 C15 20.7096 ?_??? . ?_??? ?
N11 C15 C15 159.2904 ?_??? . ?_??? ?
N11 C15 C2 37.1468 ?_??? . ?_??? ?
N11 C15 C30 87.5361 ?_??? . ?_??? ?
N11 C15 C29 79.7825 ?_??? . ?_??? ?
C15 C15 C15 180 ?_??? . ?_??? ?
C15 C15 C2 41.0453 ?_??? . ?_??? ?
C15 C15 C30 73.2843 ?_??? . ?_??? ?
C15 C15 C29 76.8985 ?_??? . ?_??? ?
C15 C15 C2 138.9547 ?_??? . ?_??? ?
C15 C15 C30 106.7157 ?_??? . ?_??? ?
C15 C15 C29 103.1015 ?_??? . ?_??? ?
C2 C15 C30 112.2744 ?_??? . ?_??? ?
C2 C15 C29 116.0472 ?_??? . ?_??? ?
C30 C15 C29 35.0206 ?_??? . ?_??? ?
C21 C16 C13 118.8604 ?_??? . ?_??? ?
C21 C16 C17 87.7415 ?_??? . ?_??? ?
C21 C16 N27 27.5212 ?_??? . ?_??? ?
C21 C16 C7 149.1876 ?_??? . ?_??? ?
C21 C16 C22 57.0081 ?_??? . ?_??? ?
C21 C16 N9 177.3984 ?_??? . ?_??? ?
C21 C16 N3 136.4595 ?_??? . ?_??? ?
C21 C16 C16 100.0354 ?_??? . ?_??? ?
C21 C16 C16 79.9646 ?_??? . ?_??? ?
C21 C16 C21 78.7171 ?_??? . ?_??? ?
C21 C16 C23 69.3507 ?_??? . ?_??? ?
C13 C16 C17 31.126 ?_??? . ?_??? ?
C13 C16 N27 91.34 ?_??? . ?_??? ?
C13 C16 C7 30.4661 ?_??? . ?_??? ?
C13 C16 C22 61.8547 ?_??? . ?_??? ?
C13 C16 N9 58.9939 ?_??? . ?_??? ?
C13 C16 N3 18.0343 ?_??? . ?_??? ?
C13 C16 C16 97.7306 ?_??? . ?_??? ?
C13 C16 C16 82.2694 ?_??? . ?_??? ?
C13 C16 C21 108.1899 ?_??? . ?_??? ?
C13 C16 C23 166.5846 ?_??? . ?_??? ?
C17 C16 N27 60.227 ?_??? . ?_??? ?
C17 C16 C7 61.5698 ?_??? . ?_??? ?
C17 C16 C22 30.7337 ?_??? . ?_??? ?
C17 C16 N9 90.1194 ?_??? . ?_??? ?
C17 C16 N3 48.9795 ?_??? . ?_??? ?
C17 C16 C16 104.1632 ?_??? . ?_??? ?
C17 C16 C16 75.8368 ?_??? . ?_??? ?
C17 C16 C21 103.2461 ?_??? . ?_??? ?
C17 C16 C23 154.0685 ?_??? . ?_??? ?
N27 C16 C7 121.7002 ?_??? . ?_??? ?
N27 C16 C22 29.4949 ?_??? . ?_??? ?
N27 C16 N9 150.2777 ?_??? . ?_??? ?
N27 C16 N3 108.9985 ?_??? . ?_??? ?
N27 C16 C16 105.8872 ?_??? . ?_??? ?
N27 C16 C16 74.1128 ?_??? . ?_??? ?
N27 C16 C21 86.859 ?_??? . ?_??? ?
N27 C16 C23 96.3969 ?_??? . ?_??? ?
C7 C16 C22 92.2664 ?_??? . ?_??? ?
C7 C16 N9 28.5807 ?_??? . ?_??? ?
C7 C16 N3 12.7369 ?_??? . ?_??? ?
C7 C16 C16 90.7967 ?_??? . ?_??? ?
C7 C16 C16 89.2034 ?_??? . ?_??? ?
C7 C16 C21 109.3253 ?_??? . ?_??? ?
C7 C16 C23 141.0895 ?_??? . ?_??? ?
C22 C16 N9 120.8384 ?_??? . ?_??? ?
C22 C16 N3 79.6125 ?_??? . ?_??? ?
C22 C16 C16 107.2302 ?_??? . ?_??? ?
C22 C16 C16 72.7698 ?_??? . ?_??? ?
C22 C16 C21 95.3917 ?_??? . ?_??? ?
C22 C16 C23 125.0915 ?_??? . ?_??? ?
N9 C16 N3 41.2802 ?_??? . ?_??? ?
N9 C16 C16 81.9233 ?_??? . ?_??? ?
N9 C16 C16 98.0767 ?_??? . ?_??? ?
N9 C16 C21 103.2319 ?_??? . ?_??? ?
N9 C16 C23 113.0527 ?_??? . ?_??? ?
N3 C16 C16 95.8841 ?_??? . ?_??? ?
N3 C16 C16 84.1159 ?_??? . ?_??? ?
N3 C16 C21 111.6986 ?_??? . ?_??? ?
N3 C16 C23 153.6211 ?_??? . ?_??? ?
C16 C16 C16 180 ?_??? . ?_??? ?
C16 C16 C21 21.3183 ?_??? . ?_??? ?
C16 C16 C23 69.6303 ?_??? . ?_??? ?
C16 C16 C21 158.6817 ?_??? . ?_??? ?
C16 C16 C23 110.3697 ?_??? . ?_??? ?
C21 C16 C23 61.5201 ?_??? . ?_??? ?
C22 C17 C13 118.9096 ?_??? . ?_??? ?
C22 C17 C16 87.8156 ?_??? . ?_??? ?
C22 C17 N27 27.4791 ?_??? . ?_??? ?
C22 C17 C7 149.3785 ?_??? . ?_??? ?
C22 C17 C21 57.1051 ?_??? . ?_??? ?
C22 C17 N3 174.3579 ?_??? . ?_??? ?
C22 C17 C13 91.2869 ?_??? . ?_??? ?
C22 C17 N9 137.2453 ?_??? . ?_??? ?
C22 C17 C17 99.127 ?_??? . ?_??? ?
C22 C17 C17 80.873 ?_??? . ?_??? ?
C22 C17 C22 77.8437 ?_??? . ?_??? ?
C13 C17 C16 31.1038 ?_??? . ?_??? ?
C13 C17 N27 91.4305 ?_??? . ?_??? ?
C13 C17 C7 30.6239 ?_??? . ?_??? ?
C13 C17 C21 61.8109 ?_??? . ?_??? ?
C13 C17 N3 59.6224 ?_??? . ?_??? ?
C13 C17 C13 84.7289 ?_??? . ?_??? ?
C13 C17 N9 18.3545 ?_??? . ?_??? ?
C13 C17 C17 73.477 ?_??? . ?_??? ?
C13 C17 C17 106.523 ?_??? . ?_??? ?
C13 C17 C22 84.0383 ?_??? . ?_??? ?
C16 C17 N27 60.3397 ?_??? . ?_??? ?
C16 C17 C7 61.7055 ?_??? . ?_??? ?
C16 C17 C21 30.7107 ?_??? . ?_??? ?
C16 C17 N3 90.6407 ?_??? . ?_??? ?
C16 C17 C13 85.5583 ?_??? . ?_??? ?
C16 C17 N9 49.4573 ?_??? . ?_??? ?
C16 C17 C17 75.8368 ?_??? . ?_??? ?
C16 C17 C17 104.1632 ?_??? . ?_??? ?
C16 C17 C22 75.1507 ?_??? . ?_??? ?
N27 C17 C7 121.948 ?_??? . ?_??? ?
N27 C17 C21 29.6322 ?_??? . ?_??? ?
N27 C17 N3 150.447 ?_??? . ?_??? ?
N27 C17 C13 88.6893 ?_??? . ?_??? ?
N27 C17 N9 109.7694 ?_??? . ?_??? ?
N27 C17 C17 91.7954 ?_??? . ?_??? ?
N27 C17 C17 88.2046 ?_??? . ?_??? ?
N27 C17 C22 72.8343 ?_??? . ?_??? ?
C7 C17 C21 92.3837 ?_??? . ?_??? ?
C7 C17 N3 29.0233 ?_??? . ?_??? ?
C7 C17 C13 83.9096 ?_??? . ?_??? ?
C7 C17 N9 12.3013 ?_??? . ?_??? ?
C7 C17 C17 77.3673 ?_??? . ?_??? ?
C7 C17 C17 102.6327 ?_??? . ?_??? ?
C7 C17 C22 95.7294 ?_??? . ?_??? ?
C21 C17 N3 121.2089 ?_??? . ?_??? ?
C21 C17 C13 87.0294 ?_??? . ?_??? ?
C21 C17 N9 80.1605 ?_??? . ?_??? ?
C21 C17 C17 82.748 ?_??? . ?_??? ?
C21 C17 C17 97.252 ?_??? . ?_??? ?
C21 C17 C22 71.0558 ?_??? . ?_??? ?
N3 C17 C13 83.1811 ?_??? . ?_??? ?
N3 C17 N9 41.3246 ?_??? . ?_??? ?
N3 C17 C17 85.7427 ?_??? . ?_??? ?
N3 C17 C17 94.2573 ?_??? . ?_??? ?
N3 C17 C22 106.9988 ?_??? . ?_??? ?
C13 C17 N9 84.7287 ?_??? . ?_??? ?
C13 C17 C17 158.2059 ?_??? . ?_??? ?
C13 C17 C17 21.7941 ?_??? . ?_??? ?
C13 C17 C22 158.0637 ?_??? . ?_??? ?
N9 C17 C17 74.6076 ?_??? . ?_??? ?
N9 C17 C17 105.3924 ?_??? . ?_??? ?
N9 C17 C22 90.4089 ?_??? . ?_??? ?
C17 C17 C17 180 ?_??? . ?_??? ?
C17 C17 C22 21.2833 ?_??? . ?_??? ?
C17 C17 C22 158.7167 ?_??? . ?_??? ?
C14 C18 C23 119.14 ?_??? . ?_??? ?
C14 C18 C19 31.2473 ?_??? . ?_??? ?
C14 C18 N28 91.6435 ?_??? . ?_??? ?
C14 C18 C8 30.4151 ?_??? . ?_??? ?
C14 C18 C24 61.9814 ?_??? . ?_??? ?
C14 C18 N4 58.718 ?_??? . ?_??? ?
C14 C18 C23 86.0251 ?_??? . ?_??? ?
C14 C18 C14 82.741 ?_??? . ?_??? ?
C14 C18 N12 18.1432 ?_??? . ?_??? ?
C14 C18 C18 75.6558 ?_??? . ?_??? ?
C14 C18 C18 104.3442 ?_??? . ?_??? ?
C14 C18 C8 70.9619 ?_??? . ?_??? ?
C23 C18 C19 87.8955 ?_??? . ?_??? ?
C23 C18 N28 27.4975 ?_??? . ?_??? ?
C23 C18 C8 149.547 ?_??? . ?_??? ?
C23 C18 C24 57.1599 ?_??? . ?_??? ?
C23 C18 N4 176.2208 ?_??? . ?_??? ?
C23 C18 C23 84.4562 ?_??? . ?_??? ?
C23 C18 C14 84.2742 ?_??? . ?_??? ?
C23 C18 N12 136.8681 ?_??? . ?_??? ?
C23 C18 C18 106.1509 ?_??? . ?_??? ?
C23 C18 C18 73.8491 ?_??? . ?_??? ?
C23 C18 C8 107.217 ?_??? . ?_??? ?
C19 C18 N28 60.3981 ?_??? . ?_??? ?
C19 C18 C8 61.6623 ?_??? . ?_??? ?
C19 C18 C24 30.7356 ?_??? . ?_??? ?
C19 C18 N4 89.8886 ?_??? . ?_??? ?
C19 C18 C23 82.5826 ?_??? . ?_??? ?
C19 C18 C14 77.8017 ?_??? . ?_??? ?
C19 C18 N12 49.202 ?_??? . ?_??? ?
C19 C18 C18 83.6301 ?_??? . ?_??? ?
C19 C18 C18 96.3699 ?_??? . ?_??? ?
C19 C18 C8 78.1943 ?_??? . ?_??? ?
N28 C18 C8 122.0554 ?_??? . ?_??? ?
N28 C18 C24 29.6625 ?_??? . ?_??? ?
N28 C18 N4 150.1387 ?_??? . ?_??? ?
N28 C18 C23 81.7824 ?_??? . ?_??? ?
N28 C18 C14 79.3282 ?_??? . ?_??? ?
N28 C18 N12 109.4586 ?_??? . ?_??? ?
N28 C18 C18 101.0406 ?_??? . ?_??? ?
N28 C18 C18 78.9594 ?_??? . ?_??? ?
N28 C18 C8 99.3394 ?_??? . ?_??? ?
C8 C18 C24 92.395 ?_??? . ?_??? ?
C8 C18 N4 28.473 ?_??? . ?_??? ?
C8 C18 C23 90.3909 ?_??? . ?_??? ?
C8 C18 C14 89.6189 ?_??? . ?_??? ?
C8 C18 N12 12.8898 ?_??? . ?_??? ?
C8 C18 C18 71.7251 ?_??? . ?_??? ?
C8 C18 C18 108.2749 ?_??? . ?_??? ?
C8 C18 C8 69.3698 ?_??? . ?_??? ?
C24 C18 N4 120.5762 ?_??? . ?_??? ?
C24 C18 C23 80.9038 ?_??? . ?_??? ?
C24 C18 C14 76.7896 ?_??? . ?_??? ?
C24 C18 N12 79.8557 ?_??? . ?_??? ?
C24 C18 C18 92.7995 ?_??? . ?_??? ?
C24 C18 C18 87.2005 ?_??? . ?_??? ?
C24 C18 C8 88.8255 ?_??? . ?_??? ?
N4 C18 C23 98.296 ?_??? . ?_??? ?
N4 C18 C14 92.2666 ?_??? . ?_??? ?
N4 C18 N12 41.3192 ?_??? . ?_??? ?
N4 C18 C18 76.6237 ?_??? . ?_??? ?
N4 C18 C18 103.3763 ?_??? . ?_??? ?
N4 C18 C8 69.3058 ?_??? . ?_??? ?
C23 C18 C14 157.6738 ?_??? . ?_??? ?
C23 C18 N12 85.4989 ?_??? . ?_??? ?
C23 C18 C18 21.6947 ?_??? . ?_??? ?
C23 C18 C18 158.3053 ?_??? . ?_??? ?
C23 C18 C8 156.9678 ?_??? . ?_??? ?
C14 C18 N12 89.6525 ?_??? . ?_??? ?
C14 C18 C18 158.3969 ?_??? . ?_??? ?
C14 C18 C18 21.6031 ?_??? . ?_??? ?
C14 C18 C8 22.9638 ?_??? . ?_??? ?
N12 C18 C18 69.7099 ?_??? . ?_??? ?
N12 C18 C18 110.2901 ?_??? . ?_??? ?
N12 C18 C8 72.3651 ?_??? . ?_??? ?
C18 C18 C18 180 ?_??? . ?_??? ?
C18 C18 C8 141.0949 ?_??? . ?_??? ?
C18 C18 C8 38.9051 ?_??? . ?_??? ?
C24 C19 C14 118.7642 ?_??? . ?_??? ?
C24 C19 C18 87.6874 ?_??? . ?_??? ?
C24 C19 N28 27.4796 ?_??? . ?_??? ?
C24 C19 C8 149.3644 ?_??? . ?_??? ?
C24 C19 C23 56.9068 ?_??? . ?_??? ?
C24 C19 N12 174.7256 ?_??? . ?_??? ?
C24 C19 O37 113.1736 ?_??? . ?_??? ?
C24 C19 C24 85.0124 ?_??? . ?_??? ?
C24 C19 N4 137.3985 ?_??? . ?_??? ?
C24 C19 C19 106.6427 ?_??? . ?_??? ?
C24 C19 C19 73.3573 ?_??? . ?_??? ?
C24 C19 N12 116.7614 ?_??? . ?_??? ?
C24 C19 N28 73.707 ?_??? . ?_??? ?
C14 C19 C18 31.0798 ?_??? . ?_??? ?
C14 C19 N28 91.2858 ?_??? . ?_??? ?
C14 C19 C8 30.6085 ?_??? . ?_??? ?
C14 C19 C23 61.859 ?_??? . ?_??? ?
C14 C19 N12 59.3355 ?_??? . ?_??? ?
C14 C19 O37 127.3472 ?_??? . ?_??? ?
C14 C19 C24 97.2228 ?_??? . ?_??? ?
C14 C19 N4 18.8771 ?_??? . ?_??? ?
C14 C19 C19 86.7246 ?_??? . ?_??? ?
C14 C19 C19 93.2754 ?_??? . ?_??? ?
C14 C19 N12 71.3598 ?_??? . ?_??? ?
C14 C19 N28 87.5844 ?_??? . ?_??? ?
C18 C19 N28 60.2079 ?_??? . ?_??? ?
C18 C19 C8 61.6882 ?_??? . ?_??? ?
C18 C19 C23 30.7806 ?_??? . ?_??? ?
C18 C19 N12 90.326 ?_??? . ?_??? ?
C18 C19 O37 157.2275 ?_??? . ?_??? ?
C18 C19 C24 95.7296 ?_??? . ?_??? ?
C18 C19 N4 49.8024 ?_??? . ?_??? ?
C18 C19 C19 96.3699 ?_??? . ?_??? ?
C18 C19 C19 83.6301 ?_??? . ?_??? ?
C18 C19 N12 83.9115 ?_??? . ?_??? ?
C18 C19 N28 78.1163 ?_??? . ?_??? ?
N28 C19 C8 121.8911 ?_??? . ?_??? ?
N28 C19 C23 29.4272 ?_??? . ?_??? ?
N28 C19 N12 150.1784 ?_??? . ?_??? ?
N28 C19 O37 140.1247 ?_??? . ?_??? ?
N28 C19 C24 88.3733 ?_??? . ?_??? ?
N28 C19 N4 109.9506 ?_??? . ?_??? ?
N28 C19 C19 107.5157 ?_??? . ?_??? ?
N28 C19 C19 72.4843 ?_??? . ?_??? ?
N28 C19 N12 109.9496 ?_??? . ?_??? ?
N28 C19 N28 70.2571 ?_??? . ?_??? ?
C8 C19 C23 92.466 ?_??? . ?_??? ?
C8 C19 N12 28.8966 ?_??? . ?_??? ?
C8 C19 O37 97.2027 ?_??? . ?_??? ?
C8 C19 C24 96.5683 ?_??? . ?_??? ?
C8 C19 N4 12.3127 ?_??? . ?_??? ?
C8 C19 C19 77.9738 ?_??? . ?_??? ?
C8 C19 C19 102.0262 ?_??? . ?_??? ?
C8 C19 N12 63.9552 ?_??? . ?_??? ?
C8 C19 N28 97.4551 ?_??? . ?_??? ?
C23 C19 N12 120.983 ?_??? . ?_??? ?
C23 C19 O37 167.067 ?_??? . ?_??? ?
C23 C19 C24 92.2539 ?_??? . ?_??? ?
C23 C19 N4 80.5506 ?_??? . ?_??? ?
C23 C19 C19 103.8779 ?_??? . ?_??? ?
C23 C19 C19 76.1221 ?_??? . ?_??? ?
C23 C19 N12 98.1378 ?_??? . ?_??? ?
C23 C19 N28 71.5661 ?_??? . ?_??? ?
N12 C19 O37 69.652 ?_??? . ?_??? ?
N12 C19 C24 90.328 ?_??? . ?_??? ?
N12 C19 N4 41.1639 ?_??? . ?_??? ?
N12 C19 C19 68.7189 ?_??? . ?_??? ?
N12 C19 C19 111.2811 ?_??? . ?_??? ?
N12 C19 N12 67.8316 ?_??? . ?_??? ?
N12 C19 N28 101.1024 ?_??? . ?_??? ?
O37 C19 C24 95.1386 ?_??? . ?_??? ?
O37 C19 N4 108.4821 ?_??? . ?_??? ?
O37 C19 C19 86.5907 ?_??? . ?_??? ?
O37 C19 C19 93.4093 ?_??? . ?_??? ?
O37 C19 N12 78.6074 ?_??? . ?_??? ?
O37 C19 N28 115.3734 ?_??? . ?_??? ?
C24 C19 N4 100.0254 ?_??? . ?_??? ?
C24 C19 C19 21.6303 ?_??? . ?_??? ?
C24 C19 C19 158.3697 ?_??? . ?_??? ?
C24 C19 N12 158.1388 ?_??? . ?_??? ?
C24 C19 N28 20.6909 ?_??? . ?_??? ?
N4 C19 C19 83.9766 ?_??? . ?_??? ?
N4 C19 C19 96.0234 ?_??? . ?_??? ?
N4 C19 N12 63.171 ?_??? . ?_??? ?
N4 C19 N28 96.4911 ?_??? . ?_??? ?
C19 C19 C19 180 ?_??? . ?_??? ?
C19 C19 N12 136.5505 ?_??? . ?_??? ?
C19 C19 N28 37.2586 ?_??? . ?_??? ?
C19 C19 N12 43.4495 ?_??? . ?_??? ?
C19 C19 N28 142.7414 ?_??? . ?_??? ?
N12 C19 N28 158.9287 ?_??? . ?_??? ?
C26 C20 C25 117.5867 ?_??? . ?_??? ?
C26 C20 C15 120.6752 ?_??? . ?_??? ?
C26 C20 C30 30.4911 ?_??? . ?_??? ?
C26 C20 N11 151.123 ?_??? . ?_??? ?
C26 C20 C29 87.1593 ?_??? . ?_??? ?
C26 C20 N10 90.4862 ?_??? . ?_??? ?
C26 C20 N31 58.8205 ?_??? . ?_??? ?
C26 C20 C15 89.1299 ?_??? . ?_??? ?
C26 C20 C6 140.2825 ?_??? . ?_??? ?
C26 C20 C5 101.347 ?_??? . ?_??? ?
C26 C20 C26 81.1192 ?_??? . ?_??? ?
C26 C20 O34 136.6628 ?_??? . ?_??? ?
C26 C20 C20 77.3547 ?_??? . ?_??? ?
C26 C20 C20 102.6453 ?_??? . ?_??? ?
C25 C20 C15 121.6978 ?_??? . ?_??? ?
C25 C20 C30 87.0956 ?_??? . ?_??? ?
C25 C20 N11 91.283 ?_??? . ?_??? ?
C25 C20 C29 30.4274 ?_??? . ?_??? ?
C25 C20 N10 151.7396 ?_??? . ?_??? ?
C25 C20 N31 58.7664 ?_??? . ?_??? ?
C25 C20 C15 99.7866 ?_??? . ?_??? ?
C25 C20 C6 102.0174 ?_??? . ?_??? ?
C25 C20 C5 140.9002 ?_??? . ?_??? ?
C25 C20 C26 102.7798 ?_??? . ?_??? ?
C25 C20 O34 105.6574 ?_??? . ?_??? ?
C25 C20 C20 87.3361 ?_??? . ?_??? ?
C25 C20 C20 92.6639 ?_??? . ?_??? ?
C15 C20 C30 151.1267 ?_??? . ?_??? ?
C15 C20 N11 30.4533 ?_??? . ?_??? ?
C15 C20 C29 152.0865 ?_??? . ?_??? ?
C15 C20 N10 30.2075 ?_??? . ?_??? ?
C15 C20 N31 178.116 ?_??? . ?_??? ?
C15 C20 C15 83.2941 ?_??? . ?_??? ?
C15 C20 C6 19.6942 ?_??? . ?_??? ?
C15 C20 C5 19.3746 ?_??? . ?_??? ?
C15 C20 C26 84.2857 ?_??? . ?_??? ?
C15 C20 O34 16.0508 ?_??? . ?_??? ?
C15 C20 C20 106.7261 ?_??? . ?_??? ?
C15 C20 C20 73.2739 ?_??? . ?_??? ?
C30 C20 N11 178.2501 ?_??? . ?_??? ?
C30 C20 C29 56.6682 ?_??? . ?_??? ?
C30 C20 N10 120.9193 ?_??? . ?_??? ?
C30 C20 N31 28.3295 ?_??? . ?_??? ?
C30 C20 C15 94.5848 ?_??? . ?_??? ?
C30 C20 C6 170.3907 ?_??? . ?_??? ?
C30 C20 C5 131.7591 ?_??? . ?_??? ?
C30 C20 C26 87.3029 ?_??? . ?_??? ?
C30 C20 O34 166.9284 ?_??? . ?_??? ?
C30 C20 C20 74.1246 ?_??? . ?_??? ?
C30 C20 C20 105.8754 ?_??? . ?_??? ?
N11 C20 C29 121.7087 ?_??? . ?_??? ?
N11 C20 N10 60.6559 ?_??? . ?_??? ?
N11 C20 N31 150.0454 ?_??? . ?_??? ?
N11 C20 C15 86.3363 ?_??? . ?_??? ?
N11 C20 C6 10.9992 ?_??? . ?_??? ?
N11 C20 C5 49.8051 ?_??? . ?_??? ?
N11 C20 C26 92.4174 ?_??? . ?_??? ?
N11 C20 O34 14.5453 ?_??? . ?_??? ?
N11 C20 C20 106.4719 ?_??? . ?_??? ?
N11 C20 C20 73.5281 ?_??? . ?_??? ?
C29 C20 N10 175.9211 ?_??? . ?_??? ?
C29 C20 N31 28.339 ?_??? . ?_??? ?
C29 C20 C15 100.4864 ?_??? . ?_??? ?
C29 C20 C6 132.3924 ?_??? . ?_??? ?
C29 C20 C5 170.7507 ?_??? . ?_??? ?
C29 C20 C26 99.3184 ?_??? . ?_??? ?
C29 C20 O34 136.0357 ?_??? . ?_??? ?
C29 C20 C20 79.7284 ?_??? . ?_??? ?
C29 C20 C20 100.2716 ?_??? . ?_??? ?
N10 C20 N31 149.1545 ?_??? . ?_??? ?
N10 C20 C15 82.7964 ?_??? . ?_??? ?
N10 C20 C6 49.8097 ?_??? . ?_??? ?
N10 C20 C5 10.8658 ?_??? . ?_??? ?
N10 C20 C26 77.0117 ?_??? . ?_??? ?
N10 C20 O34 46.181 ?_??? . ?_??? ?
N10 C20 C20 103.0095 ?_??? . ?_??? ?
N10 C20 C20 76.9905 ?_??? . ?_??? ?
N31 C20 C15 98.4632 ?_??? . ?_??? ?
N31 C20 C6 160.5932 ?_??? . ?_??? ?
N31 C20 C5 159.8957 ?_??? . ?_??? ?
N31 C20 C26 93.8317 ?_??? . ?_??? ?
N31 C20 O34 164.2192 ?_??? . ?_??? ?
N31 C20 C20 75.0328 ?_??? . ?_??? ?
N31 C20 C20 104.9672 ?_??? . ?_??? ?
C15 C20 C6 86.9318 ?_??? . ?_??? ?
C15 C20 C5 83.4275 ?_??? . ?_??? ?
C15 C20 C26 157.422 ?_??? . ?_??? ?
C15 C20 O34 86.1896 ?_??? . ?_??? ?
C15 C20 C20 23.4321 ?_??? . ?_??? ?
C15 C20 C20 156.5679 ?_??? . ?_??? ?
C6 C20 C5 38.9446 ?_??? . ?_??? ?
C6 C20 C26 87.6961 ?_??? . ?_??? ?
C6 C20 O34 3.6435 ?_??? . ?_??? ?
C6 C20 C20 108.9877 ?_??? . ?_??? ?
C6 C20 C20 71.0123 ?_??? . ?_??? ?
C5 C20 C26 78.6544 ?_??? . ?_??? ?
C5 C20 O34 35.3174 ?_??? . ?_??? ?
C5 C20 C20 105.5068 ?_??? . ?_??? ?
C5 C20 C20 74.4932 ?_??? . ?_??? ?
C26 C20 O34 87.0632 ?_??? . ?_??? ?
C26 C20 C20 158.4739 ?_??? . ?_??? ?
C26 C20 C20 21.5261 ?_??? . ?_??? ?
O34 C20 C20 108.7059 ?_??? . ?_??? ?
O34 C20 C20 71.2941 ?_??? . ?_??? ?
C20 C20 C20 180 ?_??? . ?_??? ?
N27 C21 C16 123.9664 ?_??? . ?_??? ?
N27 C21 C22 31.6669 ?_??? . ?_??? ?
N27 C21 C13 93.3112 ?_??? . ?_??? ?
N27 C21 C17 62.429 ?_??? . ?_??? ?
N27 C21 O36 37.2697 ?_??? . ?_??? ?
N27 C21 O35 37.2741 ?_??? . ?_??? ?
N27 C21 C23 145.2205 ?_??? . ?_??? ?
N27 C21 N27 87.1363 ?_??? . ?_??? ?
N27 C21 C21 108.1387 ?_??? . ?_??? ?
N27 C21 C21 71.8613 ?_??? . ?_??? ?
N27 C21 C16 84.0436 ?_??? . ?_??? ?
N27 C21 C7 104.0416 ?_??? . ?_??? ?
C16 C21 C22 92.3156 ?_??? . ?_??? ?
C16 C21 C13 30.6562 ?_??? . ?_??? ?
C16 C21 C17 61.5478 ?_??? . ?_??? ?
C16 C21 O36 161.22 ?_??? . ?_??? ?
C16 C21 O35 161.2256 ?_??? . ?_??? ?
C16 C21 C23 89.1936 ?_??? . ?_??? ?
C16 C21 N27 91.5801 ?_??? . ?_??? ?
C16 C21 C21 79.9646 ?_??? . ?_??? ?
C16 C21 C21 100.0354 ?_??? . ?_??? ?
C16 C21 C16 78.7171 ?_??? . ?_??? ?
C16 C21 C7 19.9604 ?_??? . ?_??? ?
C22 C21 C13 61.6611 ?_??? . ?_??? ?
C22 C21 C17 30.768 ?_??? . ?_??? ?
C22 C21 O36 68.9073 ?_??? . ?_??? ?
C22 C21 O35 68.9125 ?_??? . ?_??? ?
C22 C21 C23 167.6333 ?_??? . ?_??? ?
C22 C21 N27 86.472 ?_??? . ?_??? ?
C22 C21 C21 104.2927 ?_??? . ?_??? ?
C22 C21 C21 75.7073 ?_??? . ?_??? ?
C22 C21 C16 76.6471 ?_??? . ?_??? ?
C22 C21 C7 72.4275 ?_??? . ?_??? ?
C13 C21 C17 30.8953 ?_??? . ?_??? ?
C13 C21 O36 130.5684 ?_??? . ?_??? ?
C13 C21 O35 130.5735 ?_??? . ?_??? ?
C13 C21 C23 119.1521 ?_??? . ?_??? ?
C13 C21 N27 89.886 ?_??? . ?_??? ?
C13 C21 C21 88.7038 ?_??? . ?_??? ?
C13 C21 C21 91.2962 ?_??? . ?_??? ?
C13 C21 C16 72.8382 ?_??? . ?_??? ?
C13 C21 C7 10.8417 ?_??? . ?_??? ?
C17 C21 O36 99.6741 ?_??? . ?_??? ?
C17 C21 O35 99.6793 ?_??? . ?_??? ?
C17 C21 C23 148.4202 ?_??? . ?_??? ?
C17 C21 N27 87.599 ?_??? . ?_??? ?
C17 C21 C21 97.252 ?_??? . ?_??? ?
C17 C21 C21 82.748 ?_??? . ?_??? ?
C17 C21 C16 72.4455 ?_??? . ?_??? ?
C17 C21 C7 41.6834 ?_??? . ?_??? ?
O36 C21 O35 0.0258 ?_??? . ?_??? ?
O36 C21 C23 109.0662 ?_??? . ?_??? ?
O36 C21 N27 87.0764 ?_??? . ?_??? ?
O36 C21 C21 103.7121 ?_??? . ?_??? ?
O36 C21 C21 76.2879 ?_??? . ?_??? ?
O36 C21 C16 96.5153 ?_??? . ?_??? ?
O36 C21 C7 141.3109 ?_??? . ?_??? ?
O35 C21 C23 109.0669 ?_??? . ?_??? ?
O35 C21 N27 87.1019 ?_??? . ?_??? ?
O35 C21 C21 103.7361 ?_??? . ?_??? ?
O35 C21 C21 76.2639 ?_??? . ?_??? ?
O35 C21 C16 96.4926 ?_??? . ?_??? ?
O35 C21 C7 141.3151 ?_??? . ?_??? ?
C23 C21 N27 81.2157 ?_??? . ?_??? ?
C23 C21 C21 63.8927 ?_??? . ?_??? ?
C23 C21 C21 116.1073 ?_??? . ?_??? ?
C23 C21 C16 115.6617 ?_??? . ?_??? ?
C23 C21 C7 108.9785 ?_??? . ?_??? ?
N27 C21 C21 21.0023 ?_??? . ?_??? ?
N27 C21 C21 158.9977 ?_??? . ?_??? ?
N27 C21 C16 160.0396 ?_??? . ?_??? ?
N27 C21 C7 91.9444 ?_??? . ?_??? ?
C21 C21 C21 180 ?_??? . ?_??? ?
C21 C21 C16 158.6817 ?_??? . ?_??? ?
C21 C21 C7 86.8596 ?_??? . ?_??? ?
C21 C21 C16 21.3183 ?_??? . ?_??? ?
C21 C21 C7 93.1404 ?_??? . ?_??? ?
C16 C21 C7 72.9947 ?_??? . ?_??? ?
N27 C22 C17 123.8992 ?_??? . ?_??? ?
N27 C22 C21 31.7847 ?_??? . ?_??? ?
N27 C22 C13 93.2838 ?_??? . ?_??? ?
N27 C22 C16 62.4534 ?_??? . ?_??? ?
N27 C22 O36 38.6466 ?_??? . ?_??? ?
N27 C22 O35 38.6634 ?_??? . ?_??? ?
N27 C22 C30 141.5258 ?_??? . ?_??? ?
N27 C22 C22 83.7818 ?_??? . ?_??? ?
N27 C22 C22 96.2182 ?_??? . ?_??? ?
N27 C22 C30 130.0211 ?_??? . ?_??? ?
N27 C22 C7 104.1352 ?_??? . ?_??? ?
N27 C22 C17 108.1971 ?_??? . ?_??? ?
C17 C22 C21 92.1269 ?_??? . ?_??? ?
C17 C22 C13 30.6154 ?_??? . ?_??? ?
C17 C22 C16 61.4507 ?_??? . ?_??? ?
C17 C22 O36 162.5212 ?_??? . ?_??? ?
C17 C22 O35 162.5396 ?_??? . ?_??? ?
C17 C22 C30 92.0003 ?_??? . ?_??? ?
C17 C22 C22 80.873 ?_??? . ?_??? ?
C17 C22 C22 99.127 ?_??? . ?_??? ?
C17 C22 C30 82.8412 ?_??? . ?_??? ?
C17 C22 C7 19.8149 ?_??? . ?_??? ?
C17 C22 C17 77.8437 ?_??? . ?_??? ?
C21 C22 C13 61.5159 ?_??? . ?_??? ?
C21 C22 C16 30.6764 ?_??? . ?_??? ?
C21 C22 O36 70.4024 ?_??? . ?_??? ?
C21 C22 O35 70.42 ?_??? . ?_??? ?
C21 C22 C30 165.6448 ?_??? . ?_??? ?
C21 C22 C22 75.7073 ?_??? . ?_??? ?
C21 C22 C22 104.2927 ?_??? . ?_??? ?
C21 C22 C30 133.1012 ?_??? . ?_??? ?
C21 C22 C7 72.4036 ?_??? . ?_??? ?
C21 C22 C17 104.956 ?_??? . ?_??? ?
C13 C22 C16 30.8404 ?_??? . ?_??? ?
C13 C22 O36 131.9183 ?_??? . ?_??? ?
C13 C22 O35 131.936 ?_??? . ?_??? ?
C13 C22 C30 121.4911 ?_??? . ?_??? ?
C13 C22 C22 75.0868 ?_??? . ?_??? ?
C13 C22 C22 104.9132 ?_??? . ?_??? ?
C13 C22 C30 104.1579 ?_??? . ?_??? ?
C13 C22 C7 10.962 ?_??? . ?_??? ?
C13 C22 C17 86.4697 ?_??? . ?_??? ?
C16 C22 O36 101.0783 ?_??? . ?_??? ?
C16 C22 O35 101.096 ?_??? . ?_??? ?
C16 C22 C30 150.3361 ?_??? . ?_??? ?
C16 C22 C22 72.7698 ?_??? . ?_??? ?
C16 C22 C22 107.2302 ?_??? . ?_??? ?
C16 C22 C30 122.5708 ?_??? . ?_??? ?
C16 C22 C7 41.7461 ?_??? . ?_??? ?
C16 C22 C17 96.7528 ?_??? . ?_??? ?
O36 C22 O35 0.031 ?_??? . ?_??? ?
O36 C22 C30 105.0858 ?_??? . ?_??? ?
O36 C22 C22 93.8322 ?_??? . ?_??? ?
O36 C22 C22 86.1678 ?_??? . ?_??? ?
O36 C22 C30 108.4387 ?_??? . ?_??? ?
O36 C22 C7 142.7811 ?_??? . ?_??? ?
O36 C22 C17 106.5281 ?_??? . ?_??? ?
O35 C22 C30 105.0624 ?_??? . ?_??? ?
O35 C22 C22 93.8617 ?_??? . ?_??? ?
O35 C22 C22 86.1383 ?_??? . ?_??? ?
O35 C22 C30 108.4469 ?_??? . ?_??? ?
O35 C22 C7 142.7977 ?_??? . ?_??? ?
O35 C22 C17 106.4998 ?_??? . ?_??? ?
C30 C22 C22 118.5426 ?_??? . ?_??? ?
C30 C22 C22 61.4574 ?_??? . ?_??? ?
C30 C22 C30 61.1147 ?_??? . ?_??? ?
C30 C22 C7 110.6582 ?_??? . ?_??? ?
C30 C22 C17 62.5964 ?_??? . ?_??? ?
C22 C22 C22 180 ?_??? . ?_??? ?
C22 C22 C30 57.428 ?_??? . ?_??? ?
C22 C22 C7 78.2329 ?_??? . ?_??? ?
C22 C22 C17 158.7167 ?_??? . ?_??? ?
C22 C22 C30 122.572 ?_??? . ?_??? ?
C22 C22 C7 101.7671 ?_??? . ?_??? ?
C22 C22 C17 21.2833 ?_??? . ?_??? ?
C30 C22 C7 97.7685 ?_??? . ?_??? ?
C30 C22 C17 119.1582 ?_??? . ?_??? ?
C7 C22 C17 81.7235 ?_??? . ?_??? ?
N28 C23 C18 123.7528 ?_??? . ?_??? ?
N28 C23 C24 31.7833 ?_??? . ?_??? ?
N28 C23 C14 93.335 ?_??? . ?_??? ?
N28 C23 C19 62.429 ?_??? . ?_??? ?
N28 C23 C21 98.1851 ?_??? . ?_??? ?
N28 C23 C18 99.0185 ?_??? . ?_??? ?
N28 C23 C23 93.1574 ?_??? . ?_??? ?
N28 C23 C23 86.8426 ?_??? . ?_??? ?
N28 C23 C8 104.0585 ?_??? . ?_??? ?
N28 C23 C14 88.988 ?_??? . ?_??? ?
N28 C23 C16 119.2569 ?_??? . ?_??? ?
C18 C23 C24 91.9696 ?_??? . ?_??? ?
C18 C23 C14 30.4188 ?_??? . ?_??? ?
C18 C23 C19 61.3238 ?_??? . ?_??? ?
C18 C23 C21 121.3323 ?_??? . ?_??? ?
C18 C23 C18 84.4562 ?_??? . ?_??? ?
C18 C23 C23 73.8491 ?_??? . ?_??? ?
C18 C23 C23 106.1509 ?_??? . ?_??? ?
C18 C23 C8 19.7004 ?_??? . ?_??? ?
C18 C23 C14 74.256 ?_??? . ?_??? ?
C18 C23 C16 106.9965 ?_??? . ?_??? ?
C24 C23 C14 61.5517 ?_??? . ?_??? ?
C24 C23 C19 30.6457 ?_??? . ?_??? ?
C24 C23 C21 119.9526 ?_??? . ?_??? ?
C24 C23 C18 97.415 ?_??? . ?_??? ?
C24 C23 C23 83.5821 ?_??? . ?_??? ?
C24 C23 C23 96.4179 ?_??? . ?_??? ?
C24 C23 C8 72.2757 ?_??? . ?_??? ?
C24 C23 C14 78.9673 ?_??? . ?_??? ?
C24 C23 C16 140.499 ?_??? . ?_??? ?
C14 C23 C19 30.9065 ?_??? . ?_??? ?
C14 C23 C21 135.0585 ?_??? . ?_??? ?
C14 C23 C18 89.0915 ?_??? . ?_??? ?
C14 C23 C23 72.2435 ?_??? . ?_??? ?
C14 C23 C23 107.7565 ?_??? . ?_??? ?
C14 C23 C8 10.7268 ?_??? . ?_??? ?
C14 C23 C14 70.6049 ?_??? . ?_??? ?
C14 C23 C16 130.2387 ?_??? . ?_??? ?
C19 C23 C21 134.7185 ?_??? . ?_??? ?
C19 C23 C18 93.6618 ?_??? . ?_??? ?
C19 C23 C23 76.1221 ?_??? . ?_??? ?
C19 C23 C23 103.8779 ?_??? . ?_??? ?
C19 C23 C8 41.6318 ?_??? . ?_??? ?
C19 C23 C14 72.1495 ?_??? . ?_??? ?
C19 C23 C16 145.7456 ?_??? . ?_??? ?
C21 C23 C18 131.0042 ?_??? . ?_??? ?
C21 C23 C23 63.8927 ?_??? . ?_??? ?
C21 C23 C23 116.1073 ?_??? . ?_??? ?
C21 C23 C8 131.157 ?_??? . ?_??? ?
C21 C23 C14 152.215 ?_??? . ?_??? ?
C21 C23 C16 21.4557 ?_??? . ?_??? ?
C18 C23 C23 158.3053 ?_??? . ?_??? ?
C18 C23 C23 21.6947 ?_??? . ?_??? ?
C18 C23 C8 87.7018 ?_??? . ?_??? ?
C18 C23 C14 21.5132 ?_??? . ?_??? ?
C18 C23 C16 118.241 ?_??? . ?_??? ?
C23 C23 C23 180 ?_??? . ?_??? ?
C23 C23 C8 71.8828 ?_??? . ?_??? ?
C23 C23 C14 142.8484 ?_??? . ?_??? ?
C23 C23 C16 69.6302 ?_??? . ?_??? ?
C23 C23 C8 108.1172 ?_??? . ?_??? ?
C23 C23 C14 37.1517 ?_??? . ?_??? ?
C23 C23 C16 110.3698 ?_??? . ?_??? ?
C8 C23 C14 71.635 ?_??? . ?_??? ?
C8 C23 C16 122.2803 ?_??? . ?_??? ?
C14 C23 C16 138.9715 ?_??? . ?_??? ?
N28 C24 C19 124.0581 ?_??? . ?_??? ?
N28 C24 C23 31.6108 ?_??? . ?_??? ?
N28 C24 C14 93.3076 ?_??? . ?_??? ?
N28 C24 C18 62.4812 ?_??? . ?_??? ?
N28 C24 C19 87.7749 ?_??? . ?_??? ?
N28 C24 N28 83.3123 ?_??? . ?_??? ?
N28 C24 C24 104.1559 ?_??? . ?_??? ?
N28 C24 C24 75.8441 ?_??? . ?_??? ?
N28 C24 C8 104.22 ?_??? . ?_??? ?
C19 C24 C23 92.4475 ?_??? . ?_??? ?
C19 C24 C14 30.7517 ?_??? . ?_??? ?
C19 C24 C18 61.577 ?_??? . ?_??? ?
C19 C24 C19 85.0124 ?_??? . ?_??? ?
C19 C24 N28 84.9601 ?_??? . ?_??? ?
C19 C24 C24 73.3573 ?_??? . ?_??? ?
C19 C24 C24 106.6427 ?_??? . ?_??? ?
C19 C24 C8 19.8447 ?_??? . ?_??? ?
C23 C24 C14 61.6968 ?_??? . ?_??? ?
C23 C24 C18 30.8705 ?_??? . ?_??? ?
C23 C24 C19 84.2726 ?_??? . ?_??? ?
C23 C24 N28 78.5788 ?_??? . ?_??? ?
C23 C24 C24 96.4179 ?_??? . ?_??? ?
C23 C24 C24 83.5821 ?_??? . ?_??? ?
C23 C24 C8 72.6098 ?_??? . ?_??? ?
C14 C24 C18 30.8268 ?_??? . ?_??? ?
C14 C24 C19 82.8973 ?_??? . ?_??? ?
C14 C24 N28 79.4709 ?_??? . ?_??? ?
C14 C24 C24 78.5174 ?_??? . ?_??? ?
C14 C24 C24 101.4826 ?_??? . ?_??? ?
C14 C24 C8 10.9157 ?_??? . ?_??? ?
C18 C24 C19 82.3951 ?_??? . ?_??? ?
C18 C24 N28 77.3157 ?_??? . ?_??? ?
C18 C24 C24 87.2005 ?_??? . ?_??? ?
C18 C24 C24 92.7995 ?_??? . ?_??? ?
C18 C24 C8 41.741 ?_??? . ?_??? ?
C19 C24 N28 159.7057 ?_??? . ?_??? ?
C19 C24 C24 158.3697 ?_??? . ?_??? ?
C19 C24 C24 21.6303 ?_??? . ?_??? ?
C19 C24 C8 83.7915 ?_??? . ?_??? ?
N28 C24 C24 20.8437 ?_??? . ?_??? ?
N28 C24 C24 159.1563 ?_??? . ?_??? ?
N28 C24 C8 80.8035 ?_??? . ?_??? ?
C24 C24 C24 180 ?_??? . ?_??? ?
C24 C24 C8 75.8753 ?_??? . ?_??? ?
C24 C24 C8 104.1247 ?_??? . ?_??? ?
C29 C25 C20 119.1028 ?_??? . ?_??? ?
C29 C25 C26 87.9649 ?_??? . ?_??? ?
C29 C25 N31 27.5302 ?_??? . ?_??? ?
C29 C25 C15 149.356 ?_??? . ?_??? ?
C29 C25 C30 57.1338 ?_??? . ?_??? ?
C29 C25 N11 177.9181 ?_??? . ?_??? ?
C29 C25 C29 83.4241 ?_??? . ?_??? ?
C29 C25 N10 136.8957 ?_??? . ?_??? ?
C29 C25 C25 74.8645 ?_??? . ?_??? ?
C29 C25 C25 105.1355 ?_??? . ?_??? ?
C20 C25 C26 31.1379 ?_??? . ?_??? ?
C20 C25 N31 91.5727 ?_??? . ?_??? ?
C20 C25 C15 30.2896 ?_??? . ?_??? ?
C20 C25 C30 61.969 ?_??? . ?_??? ?
C20 C25 N11 58.8754 ?_??? . ?_??? ?
C20 C25 C29 97.9647 ?_??? . ?_??? ?
C20 C25 N10 17.9645 ?_??? . ?_??? ?
C20 C25 C25 92.6639 ?_??? . ?_??? ?
C20 C25 C25 87.3361 ?_??? . ?_??? ?
C26 C25 N31 60.4348 ?_??? . ?_??? ?
C26 C25 C15 61.4139 ?_??? . ?_??? ?
C26 C25 C30 30.8311 ?_??? . ?_??? ?
C26 C25 N11 90.0116 ?_??? . ?_??? ?
C26 C25 C29 95.153 ?_??? . ?_??? ?
C26 C25 N10 49.0081 ?_??? . ?_??? ?
C26 C25 C25 84.2321 ?_??? . ?_??? ?
C26 C25 C25 95.7679 ?_??? . ?_??? ?
N31 C25 C15 121.8385 ?_??? . ?_??? ?
N31 C25 C30 29.6039 ?_??? . ?_??? ?
N31 C25 N11 150.4439 ?_??? . ?_??? ?
N31 C25 C29 86.7444 ?_??? . ?_??? ?
N31 C25 N10 109.3973 ?_??? . ?_??? ?
N31 C25 C25 74.0361 ?_??? . ?_??? ?
N31 C25 C25 105.964 ?_??? . ?_??? ?
C15 C25 C30 92.2384 ?_??? . ?_??? ?
C15 C25 N11 28.6065 ?_??? . ?_??? ?
C15 C25 C29 97.3386 ?_??? . ?_??? ?
C15 C25 N10 12.4746 ?_??? . ?_??? ?
C15 C25 C25 101.3184 ?_??? . ?_??? ?
C15 C25 C25 78.6816 ?_??? . ?_??? ?
C30 C25 N11 120.8411 ?_??? . ?_??? ?
C30 C25 C29 90.9294 ?_??? . ?_??? ?
C30 C25 N10 79.8105 ?_??? . ?_??? ?
C30 C25 C25 77.4175 ?_??? . ?_??? ?
C30 C25 C25 102.5825 ?_??? . ?_??? ?
N11 C25 C29 96.2754 ?_??? . ?_??? ?
N11 C25 N10 41.0585 ?_??? . ?_??? ?
N11 C25 C25 105.4217 ?_??? . ?_??? ?
N11 C25 C25 74.5783 ?_??? . ?_??? ?
C29 C25 N10 96.3633 ?_??? . ?_??? ?
C29 C25 C25 158.2886 ?_??? . ?_??? ?
C29 C25 C25 21.7114 ?_??? . ?_??? ?
N10 C25 C25 99.4498 ?_??? . ?_??? ?
N10 C25 C25 80.5502 ?_??? . ?_??? ?
C25 C25 C25 180 ?_??? . ?_??? ?
C20 C26 C30 119.0311 ?_??? . ?_??? ?
C20 C26 C25 31.2753 ?_??? . ?_??? ?
C20 C26 N31 91.6486 ?_??? . ?_??? ?
C20 C26 C15 30.8894 ?_??? . ?_??? ?
C20 C26 C29 62.1143 ?_??? . ?_??? ?
C20 C26 N10 59.642 ?_??? . ?_??? ?
C20 C26 Na33 143.4827 ?_??? . ?_??? ?
C20 C26 C30 87.7296 ?_??? . ?_??? ?
C20 C26 N11 18.3658 ?_??? . ?_??? ?
C20 C26 C20 81.1192 ?_??? . ?_??? ?
C20 C26 C26 102.6453 ?_??? . ?_??? ?
C20 C26 C26 77.3547 ?_??? . ?_??? ?
C30 C26 C25 87.7558 ?_??? . ?_??? ?
C30 C26 N31 27.3827 ?_??? . ?_??? ?
C30 C26 C15 149.8813 ?_??? . ?_??? ?
C30 C26 C29 56.9168 ?_??? . ?_??? ?
C30 C26 N10 176.7999 ?_??? . ?_??? ?
C30 C26 Na33 97.439 ?_??? . ?_??? ?
C30 C26 C30 82.9898 ?_??? . ?_??? ?
C30 C26 N11 137.3903 ?_??? . ?_??? ?
C30 C26 C20 85.8004 ?_??? . ?_??? ?
C30 C26 C26 75.3718 ?_??? . ?_??? ?
C30 C26 C26 104.6282 ?_??? . ?_??? ?
C25 C26 N31 60.3734 ?_??? . ?_??? ?
C25 C26 C15 62.1511 ?_??? . ?_??? ?
C25 C26 C29 30.839 ?_??? . ?_??? ?
C25 C26 N10 90.8726 ?_??? . ?_??? ?
C25 C26 Na33 174.4572 ?_??? . ?_??? ?
C25 C26 C30 83.2226 ?_??? . ?_??? ?
C25 C26 N11 49.6375 ?_??? . ?_??? ?
C25 C26 C20 77.3122 ?_??? . ?_??? ?
C25 C26 C26 95.7679 ?_??? . ?_??? ?
C25 C26 C26 84.2321 ?_??? . ?_??? ?
N31 C26 C15 122.5142 ?_??? . ?_??? ?
N31 C26 C29 29.5345 ?_??? . ?_??? ?
N31 C26 N10 151.1277 ?_??? . ?_??? ?
N31 C26 Na33 124.8084 ?_??? . ?_??? ?
N31 C26 C30 80.8949 ?_??? . ?_??? ?
N31 C26 N11 110.0099 ?_??? . ?_??? ?
N31 C26 C20 80.3856 ?_??? . ?_??? ?
N31 C26 C26 79.8848 ?_??? . ?_??? ?
N31 C26 C26 100.1152 ?_??? . ?_??? ?
C15 C26 C29 92.9841 ?_??? . ?_??? ?
C15 C26 N10 28.7626 ?_??? . ?_??? ?
C15 C26 Na33 112.5961 ?_??? . ?_??? ?
C15 C26 C30 91.668 ?_??? . ?_??? ?
C15 C26 N11 12.5286 ?_??? . ?_??? ?
C15 C26 C20 88.508 ?_??? . ?_??? ?
C15 C26 C26 107.0369 ?_??? . ?_??? ?
C15 C26 C26 72.9631 ?_??? . ?_??? ?
C29 C26 N10 121.6695 ?_??? . ?_??? ?
C29 C26 Na33 154.2952 ?_??? . ?_??? ?
C29 C26 C30 80.7332 ?_??? . ?_??? ?
C29 C26 N11 80.4756 ?_??? . ?_??? ?
C29 C26 C20 77.1576 ?_??? . ?_??? ?
C29 C26 C26 87.3742 ?_??? . ?_??? ?
C29 C26 C26 92.6258 ?_??? . ?_??? ?
N10 C26 Na33 83.8408 ?_??? . ?_??? ?
N10 C26 C30 93.9795 ?_??? . ?_??? ?
N10 C26 N11 41.2905 ?_??? . ?_??? ?
N10 C26 C20 96.7218 ?_??? . ?_??? ?
N10 C26 C26 107.6553 ?_??? . ?_??? ?
N10 C26 C26 72.3447 ?_??? . ?_??? ?
Na33 C26 C30 95.4511 ?_??? . ?_??? ?
Na33 C26 N11 125.1238 ?_??? . ?_??? ?
Na33 C26 C20 104.9012 ?_??? . ?_??? ?
Na33 C26 C26 87.4491 ?_??? . ?_??? ?
Na33 C26 C26 92.5509 ?_??? . ?_??? ?
C30 C26 N11 90.3376 ?_??? . ?_??? ?
C30 C26 C20 157.8681 ?_??? . ?_??? ?
C30 C26 C26 158.3616 ?_??? . ?_??? ?
C30 C26 C26 21.6384 ?_??? . ?_??? ?
N11 C26 C20 85.0759 ?_??? . ?_??? ?
N11 C26 C26 105.5269 ?_??? . ?_??? ?
N11 C26 C26 74.4731 ?_??? . ?_??? ?
C20 C26 C26 21.5261 ?_??? . ?_??? ?
C20 C26 C26 158.4739 ?_??? . ?_??? ?
C26 C26 C26 180 ?_??? . ?_??? ?
C22 N27 C21 116.5484 ?_??? . ?_??? ?
C22 N27 O36 120.7076 ?_??? . ?_??? ?
C22 N27 O35 120.6997 ?_??? . ?_??? ?
C22 N27 C17 28.6217 ?_??? . ?_??? ?
C22 N27 C16 88.0518 ?_??? . ?_??? ?
C22 N27 C13 58.3516 ?_??? . ?_??? ?
C22 N27 C21 93.1374 ?_??? . ?_??? ?
C22 N27 N27 96.2182 ?_??? . ?_??? ?
C22 N27 N27 83.7818 ?_??? . ?_??? ?
C21 N27 O36 122.6685 ?_??? . ?_??? ?
C21 N27 O35 122.6784 ?_??? . ?_??? ?
C21 N27 C17 87.9388 ?_??? . ?_??? ?
C21 N27 C16 28.5123 ?_??? . ?_??? ?
C21 N27 C13 58.222 ?_??? . ?_??? ?
C21 N27 C21 87.1363 ?_??? . ?_??? ?
C21 N27 N27 71.8613 ?_??? . ?_??? ?
C21 N27 N27 108.1387 ?_??? . ?_??? ?
O36 N27 O35 0.0367 ?_??? . ?_??? ?
O36 N27 C17 149.3178 ?_??? . ?_??? ?
O36 N27 C16 151.1722 ?_??? . ?_??? ?
O36 N27 C13 178.5547 ?_??? . ?_??? ?
O36 N27 C21 92.4416 ?_??? . ?_??? ?
O36 N27 N27 98.8105 ?_??? . ?_??? ?
O36 N27 N27 81.1895 ?_??? . ?_??? ?
O35 N27 C17 149.3106 ?_??? . ?_??? ?
O35 N27 C16 151.1828 ?_??? . ?_??? ?
O35 N27 C13 178.5763 ?_??? . ?_??? ?
O35 N27 C21 92.4066 ?_??? . ?_??? ?
O35 N27 N27 98.8472 ?_??? . ?_??? ?
O35 N27 N27 81.1528 ?_??? . ?_??? ?
C17 N27 C16 59.4333 ?_??? . ?_??? ?
C17 N27 C13 29.7299 ?_??? . ?_??? ?
C17 N27 C21 91.1095 ?_??? . ?_??? ?
C17 N27 N27 88.2046 ?_??? . ?_??? ?
C17 N27 N27 91.7954 ?_??? . ?_??? ?
C16 N27 C13 29.7101 ?_??? . ?_??? ?
C16 N27 C21 87.495 ?_??? . ?_??? ?
C16 N27 N27 74.1128 ?_??? . ?_??? ?
C16 N27 N27 105.8872 ?_??? . ?_??? ?
C13 N27 C21 88.7303 ?_??? . ?_??? ?
C13 N27 N27 80.3343 ?_??? . ?_??? ?
C13 N27 N27 99.6657 ?_??? . ?_??? ?
C21 N27 N27 158.9977 ?_??? . ?_??? ?
C21 N27 N27 21.0023 ?_??? . ?_??? ?
N27 N27 N27 180 ?_??? . ?_??? ?
C23 N28 C24 116.6059 ?_??? . ?_??? ?
C23 N28 C18 28.7498 ?_??? . ?_??? ?
C23 N28 C19 88.1438 ?_??? . ?_??? ?
C23 N28 C14 58.3651 ?_??? . ?_??? ?
C23 N28 C24 102.7537 ?_??? . ?_??? ?
C23 N28 N28 86.8426 ?_??? . ?_??? ?
C23 N28 N28 93.1574 ?_??? . ?_??? ?
C23 N28 C19 91.9368 ?_??? . ?_??? ?
C24 N28 C18 87.8563 ?_??? . ?_??? ?
C24 N28 C19 28.4623 ?_??? . ?_??? ?
C24 N28 C14 58.2408 ?_??? . ?_??? ?
C24 N28 C24 83.3123 ?_??? . ?_??? ?
C24 N28 N28 75.8441 ?_??? . ?_??? ?
C24 N28 N28 104.1559 ?_??? . ?_??? ?
C24 N28 C19 71.5342 ?_??? . ?_??? ?
C18 N28 C19 59.3941 ?_??? . ?_??? ?
C18 N28 C14 29.6159 ?_??? . ?_??? ?
C18 N28 C24 100.5114 ?_??? . ?_??? ?
C18 N28 N28 78.9594 ?_??? . ?_??? ?
C18 N28 N28 101.0406 ?_??? . ?_??? ?
C18 N28 C19 82.287 ?_??? . ?_??? ?
C19 N28 C14 29.7791 ?_??? . ?_??? ?
C19 N28 C24 89.1791 ?_??? . ?_??? ?
C19 N28 N28 72.4843 ?_??? . ?_??? ?
C19 N28 N28 107.5157 ?_??? . ?_??? ?
C19 N28 C19 70.2571 ?_??? . ?_??? ?
C14 N28 C24 95.7425 ?_??? . ?_??? ?
C14 N28 N28 73.3663 ?_??? . ?_??? ?
C14 N28 N28 106.6337 ?_??? . ?_??? ?
C14 N28 C19 74.4256 ?_??? . ?_??? ?
C24 N28 N28 159.1563 ?_??? . ?_??? ?
C24 N28 N28 20.8437 ?_??? . ?_??? ?
C24 N28 C19 21.3329 ?_??? . ?_??? ?
N28 N28 N28 180 ?_??? . ?_??? ?
N28 N28 C19 142.7414 ?_??? . ?_??? ?
N28 N28 C19 37.2586 ?_??? . ?_??? ?
N31 C29 C25 123.7416 ?_??? . ?_??? ?
N31 C29 C30 31.7925 ?_??? . ?_??? ?
N31 C29 C20 93.2719 ?_??? . ?_??? ?
N31 C29 C26 62.5457 ?_??? . ?_??? ?
N31 C29 C25 89.0305 ?_??? . ?_??? ?
N31 C29 N31 82.1255 ?_??? . ?_??? ?
N31 C29 C29 77.0983 ?_??? . ?_??? ?
N31 C29 C29 102.9017 ?_??? . ?_??? ?
N31 C29 C15 103.9021 ?_??? . ?_??? ?
C25 C29 C30 91.9497 ?_??? . ?_??? ?
C25 C29 C20 30.4698 ?_??? . ?_??? ?
C25 C29 C26 61.1961 ?_??? . ?_??? ?
C25 C29 C25 83.4241 ?_??? . ?_??? ?
C25 C29 N31 86.3761 ?_??? . ?_??? ?
C25 C29 C29 105.1355 ?_??? . ?_??? ?
C25 C29 C29 74.8645 ?_??? . ?_??? ?
C25 C29 C15 19.8528 ?_??? . ?_??? ?
C30 C29 C20 61.48 ?_??? . ?_??? ?
C30 C29 C26 30.7536 ?_??? . ?_??? ?
C30 C29 C25 84.8737 ?_??? . ?_??? ?
C30 C29 N31 77.9831 ?_??? . ?_??? ?
C30 C29 C29 84.29 ?_??? . ?_??? ?
C30 C29 C29 95.71 ?_??? . ?_??? ?
C30 C29 C15 72.1104 ?_??? . ?_??? ?
C20 C29 C26 30.7264 ?_??? . ?_??? ?
C20 C29 C25 81.5588 ?_??? . ?_??? ?
C20 C29 N31 80.7677 ?_??? . ?_??? ?
C20 C29 C29 100.2716 ?_??? . ?_??? ?
C20 C29 C29 79.7284 ?_??? . ?_??? ?
C20 C29 C15 10.6553 ?_??? . ?_??? ?
C26 C29 C25 82.097 ?_??? . ?_??? ?
C26 C29 N31 77.6237 ?_??? . ?_??? ?
C26 C29 C29 92.6258 ?_??? . ?_??? ?
C26 C29 C29 87.3742 ?_??? . ?_??? ?
C26 C29 C15 41.3609 ?_??? . ?_??? ?
C25 C29 N31 159.7145 ?_??? . ?_??? ?
C25 C29 C29 21.7114 ?_??? . ?_??? ?
C25 C29 C29 158.2886 ?_??? . ?_??? ?
C25 C29 C15 82.6938 ?_??? . ?_??? ?
N31 C29 C29 159.2237 ?_??? . ?_??? ?
N31 C29 C29 20.7763 ?_??? . ?_??? ?
N31 C29 C15 81.7831 ?_??? . ?_??? ?
C29 C29 C29 180 ?_??? . ?_??? ?
C29 C29 C15 103.1015 ?_??? . ?_??? ?
C29 C29 C15 76.8985 ?_??? . ?_??? ?
N31 C30 C26 124.1184 ?_??? . ?_??? ?
N31 C30 C29 31.7897 ?_??? . ?_??? ?
N31 C30 C20 93.6409 ?_??? . ?_??? ?
N31 C30 C25 62.7059 ?_??? . ?_??? ?
N31 C30 C22 89.907 ?_??? . ?_??? ?
N31 C30 C26 99.1042 ?_??? . ?_??? ?
N31 C30 C30 86.8967 ?_??? . ?_??? ?
N31 C30 C30 93.1033 ?_??? . ?_??? ?
N31 C30 C22 86.8175 ?_??? . ?_??? ?
N31 C30 C15 104.6579 ?_??? . ?_??? ?
C26 C30 C29 92.3295 ?_??? . ?_??? ?
C26 C30 C20 30.4777 ?_??? . ?_??? ?
C26 C30 C25 61.4131 ?_??? . ?_??? ?
C26 C30 C22 126.4825 ?_??? . ?_??? ?
C26 C30 C26 82.9898 ?_??? . ?_??? ?
C26 C30 C30 104.6282 ?_??? . ?_??? ?
C26 C30 C30 75.3718 ?_??? . ?_??? ?
C26 C30 C22 145.2957 ?_??? . ?_??? ?
C26 C30 C15 19.4768 ?_??? . ?_??? ?
C29 C30 C20 61.8518 ?_??? . ?_??? ?
C29 C30 C25 30.9164 ?_??? . ?_??? ?
C29 C30 C22 111.9241 ?_??? . ?_??? ?
C29 C30 C26 96.7506 ?_??? . ?_??? ?
C29 C30 C30 95.71 ?_??? . ?_??? ?
C29 C30 C30 84.29 ?_??? . ?_??? ?
C29 C30 C22 117.2164 ?_??? . ?_??? ?
C29 C30 C15 72.869 ?_??? . ?_??? ?
C20 C30 C25 30.9354 ?_??? . ?_??? ?
C20 C30 C22 135.569 ?_??? . ?_??? ?
C20 C30 C26 87.2576 ?_??? . ?_??? ?
C20 C30 C30 105.8754 ?_??? . ?_??? ?
C20 C30 C30 74.1246 ?_??? . ?_??? ?
C20 C30 C22 163.2731 ?_??? . ?_??? ?
C20 C30 C15 11.0415 ?_??? . ?_??? ?
C25 C30 C22 129.3067 ?_??? . ?_??? ?
C25 C30 C26 92.3559 ?_??? . ?_??? ?
C25 C30 C30 102.5825 ?_??? . ?_??? ?
C25 C30 C30 77.4175 ?_??? . ?_??? ?
C25 C30 C22 145.571 ?_??? . ?_??? ?
C25 C30 C15 41.9561 ?_??? . ?_??? ?
C22 C30 C26 135.7845 ?_??? . ?_??? ?
C22 C30 C30 118.5426 ?_??? . ?_??? ?
C22 C30 C30 61.4574 ?_??? . ?_??? ?
C22 C30 C22 61.1147 ?_??? . ?_??? ?
C22 C30 C15 133.134 ?_??? . ?_??? ?
C26 C30 C30 21.6384 ?_??? . ?_??? ?
C26 C30 C30 158.3616 ?_??? . ?_??? ?
C26 C30 C22 76.1765 ?_??? . ?_??? ?
C26 C30 C15 86.3158 ?_??? . ?_??? ?
C30 C30 C30 180 ?_??? . ?_??? ?
C30 C30 C22 57.428 ?_??? . ?_??? ?
C30 C30 C15 106.7157 ?_??? . ?_??? ?
C30 C30 C22 122.572 ?_??? . ?_??? ?
C30 C30 C15 73.2843 ?_??? . ?_??? ?
C22 C30 C15 160.4872 ?_??? . ?_??? ?
C29 N31 C30 116.4178 ?_??? . ?_??? ?
C29 N31 C25 28.7282 ?_??? . ?_??? ?
C29 N31 C26 87.9198 ?_??? . ?_??? ?
C29 N31 C20 58.3891 ?_??? . ?_??? ?
C29 N31 C29 82.1255 ?_??? . ?_??? ?
C29 N31 N31 102.9017 ?_??? . ?_??? ?
C29 N31 N31 77.0983 ?_??? . ?_??? ?
C30 N31 C25 87.6902 ?_??? . ?_??? ?
C30 N31 C26 28.4989 ?_??? . ?_??? ?
C30 N31 C20 58.0296 ?_??? . ?_??? ?
C30 N31 C29 102.5283 ?_??? . ?_??? ?
C30 N31 N31 93.1033 ?_??? . ?_??? ?
C30 N31 N31 86.8967 ?_??? . ?_??? ?
C25 N31 C26 59.1917 ?_??? . ?_??? ?
C25 N31 C20 29.6609 ?_??? . ?_??? ?
C25 N31 C29 87.7294 ?_??? . ?_??? ?
C25 N31 N31 105.964 ?_??? . ?_??? ?
C25 N31 N31 74.0361 ?_??? . ?_??? ?
C26 N31 C20 29.5309 ?_??? . ?_??? ?
C26 N31 C29 99.5128 ?_??? . ?_??? ?
C26 N31 N31 100.1152 ?_??? . ?_??? ?
C26 N31 N31 79.8848 ?_??? . ?_??? ?
C20 N31 C29 94.1125 ?_??? . ?_??? ?
C20 N31 N31 104.9672 ?_??? . ?_??? ?
C20 N31 N31 75.0328 ?_??? . ?_??? ?
C29 N31 N31 20.7763 ?_??? . ?_??? ?
C29 N31 N31 159.2237 ?_??? . ?_??? ?
N31 N31 N31 180 ?_??? . ?_??? ?
Na33 Na32 Na33 95.7773 ?_??? . ?_??? ?
Na33 Na32 N9 154.6623 ?_??? . ?_??? ?
Na33 Na32 N10 125.4797 ?_??? . ?_??? ?
Na33 Na32 Na32 56.9666 ?_??? . ?_??? ?
Na33 Na32 Na32 123.0334 ?_??? . ?_??? ?
Na33 Na32 N4 70.1655 ?_??? . ?_??? ?
Na33 Na32 N10 91.8797 ?_??? . ?_??? ?
Na33 Na32 N9 94.8837 ?_??? . ?_??? ?
Na33 Na32 N10 75.1454 ?_??? . ?_??? ?
Na33 Na32 Na32 152.744 ?_??? . ?_??? ?
Na33 Na32 Na32 27.256 ?_??? . ?_??? ?
Na33 Na32 N4 56.7182 ?_??? . ?_??? ?
Na33 Na32 N10 128.6211 ?_??? . ?_??? ?
N9 Na32 N10 37.1525 ?_??? . ?_??? ?
N9 Na32 Na32 110.1384 ?_??? . ?_??? ?
N9 Na32 Na32 69.8616 ?_??? . ?_??? ?
N9 Na32 N4 134.1961 ?_??? . ?_??? ?
N9 Na32 N10 63.6801 ?_??? . ?_??? ?
N10 Na32 Na32 118.8941 ?_??? . ?_??? ?
N10 Na32 Na32 61.1059 ?_??? . ?_??? ?
N10 Na32 N4 131.4147 ?_??? . ?_??? ?
N10 Na32 N10 59.6143 ?_??? . ?_??? ?
Na32 Na32 Na32 180 ?_??? . ?_??? ?
Na32 Na32 N4 107.8314 ?_??? . ?_??? ?
Na32 Na32 N10 59.2798 ?_??? . ?_??? ?
Na32 Na32 N4 72.1686 ?_??? . ?_??? ?
Na32 Na32 N10 120.7202 ?_??? . ?_??? ?
N4 Na32 N10 162.0356 ?_??? . ?_??? ?
Na32 Na33 Na32 95.7773 ?_??? . ?_??? ?
Na32 Na33 N4 118.6152 ?_??? . ?_??? ?
Na32 Na33 N3 110.3198 ?_??? . ?_??? ?
Na32 Na33 N3 158.9792 ?_??? . ?_??? ?
Na32 Na33 C26 87.9722 ?_??? . ?_??? ?
Na32 Na33 N4 82.822 ?_??? . ?_??? ?
Na32 Na33 C1 102.8759 ?_??? . ?_??? ?
Na32 Na33 Na33 123.0334 ?_??? . ?_??? ?
Na32 Na33 Na33 56.9666 ?_??? . ?_??? ?
Na32 Na33 N4 70.9151 ?_??? . ?_??? ?
Na32 Na33 N3 145.7165 ?_??? . ?_??? ?
Na32 Na33 N3 80.4515 ?_??? . ?_??? ?
Na32 Na33 C26 85.8626 ?_??? . ?_??? ?
Na32 Na33 N4 128.8582 ?_??? . ?_??? ?
Na32 Na33 C1 132.7483 ?_??? . ?_??? ?
Na32 Na33 Na33 27.256 ?_??? . ?_??? ?
Na32 Na33 Na33 152.744 ?_??? . ?_??? ?
N4 Na33 N3 77.0626 ?_??? . ?_??? ?
N4 Na33 N3 40.5705 ?_??? . ?_??? ?
N4 Na33 C26 145.5514 ?_??? . ?_??? ?
N4 Na33 N4 65.6199 ?_??? . ?_??? ?
N4 Na33 C1 61.9934 ?_??? . ?_??? ?
N4 Na33 Na33 60.2665 ?_??? . ?_??? ?
N4 Na33 Na33 119.7335 ?_??? . ?_??? ?
N3 Na33 N3 67.1501 ?_??? . ?_??? ?
N3 Na33 C26 115.9517 ?_??? . ?_??? ?
N3 Na33 N4 39.5091 ?_??? . ?_??? ?
N3 Na33 C1 21.5008 ?_??? . ?_??? ?
N3 Na33 Na33 122.4382 ?_??? . ?_??? ?
N3 Na33 Na33 57.5618 ?_??? . ?_??? ?
N3 Na33 C26 112.1874 ?_??? . ?_??? ?
N3 Na33 N4 83.603 ?_??? . ?_??? ?
N3 Na33 C1 66.8152 ?_??? . ?_??? ?
N3 Na33 Na33 55.2881 ?_??? . ?_??? ?
N3 Na33 Na33 124.7119 ?_??? . ?_??? ?
C26 Na33 N4 144.6948 ?_??? . ?_??? ?
C26 Na33 C1 137.1089 ?_??? . ?_??? ?
C26 Na33 Na33 87.4491 ?_??? . ?_??? ?
C26 Na33 Na33 92.5509 ?_??? . ?_??? ?
N4 Na33 C1 21.491 ?_??? . ?_??? ?
N4 Na33 Na33 125.8864 ?_??? . ?_??? ?
N4 Na33 Na33 54.1136 ?_??? . ?_??? ?
C1 Na33 Na33 117.9946 ?_??? . ?_??? ?
C1 Na33 Na33 62.0054 ?_??? . ?_??? ?
Na33 Na33 Na33 180 ?_??? . ?_??? ?
C6 O34 C2 168.1644 ?_??? . ?_??? ?
C6 O34 N12 58.1221 ?_??? . ?_??? ?
C6 O34 N11 45.3835 ?_??? . ?_??? ?
C6 O34 C1 153.8018 ?_??? . ?_??? ?
C6 O34 C5 138.3147 ?_??? . ?_??? ?
C6 O34 C8 92.7538 ?_??? . ?_??? ?
C6 O34 C15 78.4709 ?_??? . ?_??? ?
C6 O34 N4 123.261 ?_??? . ?_??? ?
C6 O34 N10 108.2787 ?_??? . ?_??? ?
C6 O34 N3 165.9661 ?_??? . ?_??? ?
C6 O34 N9 151.044 ?_??? . ?_??? ?
C6 O34 C8 89.2314 ?_??? . ?_??? ?
C6 O34 C14 82.1651 ?_??? . ?_??? ?
C6 O34 N12 75.4137 ?_??? . ?_??? ?
C6 O34 N4 110.3266 ?_??? . ?_??? ?
C6 O34 C20 68.1627 ?_??? . ?_??? ?
C6 O34 O34 92.3976 ?_??? . ?_??? ?
C6 O34 O34 87.6024 ?_??? . ?_??? ?
C6 O34 C6 83.8143 ?_??? . ?_??? ?
C6 O34 C7 170.6772 ?_??? . ?_??? ?
C6 O34 C2 104.9332 ?_??? . ?_??? ?
C6 O34 C1 118.601 ?_??? . ?_??? ?
C2 O34 N12 130.597 ?_??? . ?_??? ?
C2 O34 N11 126.1398 ?_??? . ?_??? ?
C2 O34 C1 34.3581 ?_??? . ?_??? ?
C2 O34 C5 32.3751 ?_??? . ?_??? ?
C2 O34 C8 95.7943 ?_??? . ?_??? ?
C2 O34 C15 92.585 ?_??? . ?_??? ?
C2 O34 N4 65.2398 ?_??? . ?_??? ?
C2 O34 N10 62.5836 ?_??? . ?_??? ?
C2 O34 N3 22.2116 ?_??? . ?_??? ?
C2 O34 N9 19.6322 ?_??? . ?_??? ?
C2 O34 C8 100.7917 ?_??? . ?_??? ?
C2 O34 C14 106.3373 ?_??? . ?_??? ?
C2 O34 N12 112.2569 ?_??? . ?_??? ?
C2 O34 N4 79.7816 ?_??? . ?_??? ?
C2 O34 C20 102.8093 ?_??? . ?_??? ?
C2 O34 O34 83.1642 ?_??? . ?_??? ?
C2 O34 O34 96.8358 ?_??? . ?_??? ?
C2 O34 C6 100.5535 ?_??? . ?_??? ?
C2 O34 C7 2.8308 ?_??? . ?_??? ?
C2 O34 C2 79.1738 ?_??? . ?_??? ?
C2 O34 C1 68.8437 ?_??? . ?_??? ?
N12 O34 N11 103.1388 ?_??? . ?_??? ?
N12 O34 C1 96.3821 ?_??? . ?_??? ?
N12 O34 C5 162.9087 ?_??? . ?_??? ?
N12 O34 C8 34.8367 ?_??? . ?_??? ?
N12 O34 C15 136.5618 ?_??? . ?_??? ?
N12 O34 N4 65.4501 ?_??? . ?_??? ?
N12 O34 N10 166.3056 ?_??? . ?_??? ?
N12 O34 N3 108.7262 ?_??? . ?_??? ?
N12 O34 N9 150.2195 ?_??? . ?_??? ?
N12 O34 C8 74.0997 ?_??? . ?_??? ?
N12 O34 C14 24.2655 ?_??? . ?_??? ?
N12 O34 N12 80.688 ?_??? . ?_??? ?
N12 O34 N4 86.4652 ?_??? . ?_??? ?
N12 O34 C20 126.2563 ?_??? . ?_??? ?
N12 O34 O34 76.6213 ?_??? . ?_??? ?
N12 O34 O34 103.3787 ?_??? . ?_??? ?
N12 O34 C6 101.2634 ?_??? . ?_??? ?
N12 O34 C7 129.5681 ?_??? . ?_??? ?
N12 O34 C2 115.3243 ?_??? . ?_??? ?
N12 O34 C1 107.0305 ?_??? . ?_??? ?
N11 O34 C1 160.4741 ?_??? . ?_??? ?
N11 O34 C5 93.7878 ?_??? . ?_??? ?
N11 O34 C8 137.969 ?_??? . ?_??? ?
N11 O34 C15 33.5569 ?_??? . ?_??? ?
N11 O34 N4 168.5873 ?_??? . ?_??? ?
N11 O34 N10 63.5567 ?_??? . ?_??? ?
N11 O34 N3 148.1301 ?_??? . ?_??? ?
N11 O34 N9 106.6035 ?_??? . ?_??? ?
N11 O34 C8 96.617 ?_??? . ?_??? ?
N11 O34 C14 127.3767 ?_??? . ?_??? ?
N11 O34 N12 75.4301 ?_??? . ?_??? ?
N11 O34 N4 110.8781 ?_??? . ?_??? ?
N11 O34 C20 23.3822 ?_??? . ?_??? ?
N11 O34 O34 109.6857 ?_??? . ?_??? ?
N11 O34 O34 70.3143 ?_??? . ?_??? ?
N11 O34 C6 67.565 ?_??? . ?_??? ?
N11 O34 C7 127.2911 ?_??? . ?_??? ?
N11 O34 C2 81.198 ?_??? . ?_??? ?
N11 O34 C1 102.3346 ?_??? . ?_??? ?
C1 O34 C5 66.6899 ?_??? . ?_??? ?
C1 O34 C8 61.5469 ?_??? . ?_??? ?
C1 O34 C15 126.9367 ?_??? . ?_??? ?
C1 O34 N4 30.9329 ?_??? . ?_??? ?
C1 O34 N10 96.9294 ?_??? . ?_??? ?
C1 O34 N3 12.3835 ?_??? . ?_??? ?
C1 O34 N9 53.8707 ?_??? . ?_??? ?
C1 O34 C8 89.0719 ?_??? . ?_??? ?
C1 O34 C14 72.1326 ?_??? . ?_??? ?
C1 O34 N12 108.6316 ?_??? . ?_??? ?
C1 O34 N4 70.407 ?_??? . ?_??? ?
C1 O34 C20 137.1667 ?_??? . ?_??? ?
C1 O34 O34 74.2459 ?_??? . ?_??? ?
C1 O34 O34 105.7541 ?_??? . ?_??? ?
C1 O34 C6 109.2382 ?_??? . ?_??? ?
C1 O34 C7 33.186 ?_??? . ?_??? ?
C1 O34 C2 90.9355 ?_??? . ?_??? ?
C1 O34 C1 71.8519 ?_??? . ?_??? ?
C5 O34 C8 128.1675 ?_??? . ?_??? ?
C5 O34 C15 60.254 ?_??? . ?_??? ?
C5 O34 N4 97.6058 ?_??? . ?_??? ?
C5 O34 N10 30.249 ?_??? . ?_??? ?
C5 O34 N3 54.408 ?_??? . ?_??? ?
C5 O34 N9 12.8433 ?_??? . ?_??? ?
C5 O34 C8 106.6127 ?_??? . ?_??? ?
C5 O34 C14 138.6934 ?_??? . ?_??? ?
C5 O34 N12 106.2536 ?_??? . ?_??? ?
C5 O34 N4 89.7375 ?_??? . ?_??? ?
C5 O34 C20 70.5193 ?_??? . ?_??? ?
C5 O34 O34 95.6076 ?_??? . ?_??? ?
C5 O34 O34 84.3924 ?_??? . ?_??? ?
C5 O34 C6 87.2574 ?_??? . ?_??? ?
C5 O34 C7 33.5487 ?_??? . ?_??? ?
C5 O34 C2 69.2226 ?_??? . ?_??? ?
C5 O34 C1 70.9854 ?_??? . ?_??? ?
C8 O34 C15 170.9449 ?_??? . ?_??? ?
C8 O34 N4 30.6183 ?_??? . ?_??? ?
C8 O34 N10 158.216 ?_??? . ?_??? ?
C8 O34 N3 73.9008 ?_??? . ?_??? ?
C8 O34 N9 115.3936 ?_??? . ?_??? ?
C8 O34 C8 75.7105 ?_??? . ?_??? ?
C8 O34 C14 10.5983 ?_??? . ?_??? ?
C8 O34 N12 92.5924 ?_??? . ?_??? ?
C8 O34 N4 75.9628 ?_??? . ?_??? ?
C8 O34 C20 160.8028 ?_??? . ?_??? ?
C8 O34 O34 68.5652 ?_??? . ?_??? ?
C8 O34 O34 111.4348 ?_??? . ?_??? ?
C8 O34 C6 111.519 ?_??? . ?_??? ?
C8 O34 C7 94.7321 ?_??? . ?_??? ?
C8 O34 C2 113.1013 ?_??? . ?_??? ?
C8 O34 C1 94.8586 ?_??? . ?_??? ?
C15 O34 N4 157.7833 ?_??? . ?_??? ?
C15 O34 N10 30.0079 ?_??? . ?_??? ?
C15 O34 N3 114.6563 ?_??? . ?_??? ?
C15 O34 N9 73.0872 ?_??? . ?_??? ?
C15 O34 C8 106.0936 ?_??? . ?_??? ?
C15 O34 C14 160.5532 ?_??? . ?_??? ?
C15 O34 N12 87.3896 ?_??? . ?_??? ?
C15 O34 N4 109.0189 ?_??? . ?_??? ?
C15 O34 C20 10.3087 ?_??? . ?_??? ?
C15 O34 O34 109.1926 ?_??? . ?_??? ?
C15 O34 O34 70.8074 ?_??? . ?_??? ?
C15 O34 C6 70.1028 ?_??? . ?_??? ?
C15 O34 C7 93.794 ?_??? . ?_??? ?
C15 O34 C2 71.855 ?_??? . ?_??? ?
C15 O34 C1 91.3571 ?_??? . ?_??? ?
N4 O34 N10 127.8183 ?_??? . ?_??? ?
N4 O34 N3 43.2826 ?_??? . ?_??? ?
N4 O34 N9 84.7992 ?_??? . ?_??? ?
N4 O34 C8 80.7813 ?_??? . ?_??? ?
N4 O34 C14 41.2109 ?_??? . ?_??? ?
N4 O34 N12 101.8367 ?_??? . ?_??? ?
N4 O34 N4 69.977 ?_??? . ?_??? ?
N4 O34 C20 167.7728 ?_??? . ?_??? ?
N4 O34 O34 68.6147 ?_??? . ?_??? ?
N4 O34 O34 111.3853 ?_??? . ?_??? ?
N4 O34 C6 113.5218 ?_??? . ?_??? ?
N4 O34 C7 64.1186 ?_??? . ?_??? ?
N4 O34 C2 103.4579 ?_??? . ?_??? ?
N4 O34 C1 82.1202 ?_??? . ?_??? ?
N10 O34 N3 84.6566 ?_??? . ?_??? ?
N10 O34 N9 43.0877 ?_??? . ?_??? ?
N10 O34 C8 109.304 ?_??? . ?_??? ?
N10 O34 C14 168.3499 ?_??? . ?_??? ?
N10 O34 N12 98.037 ?_??? . ?_??? ?
N10 O34 N4 101.0344 ?_??? . ?_??? ?
N10 O34 C20 40.2715 ?_??? . ?_??? ?
N10 O34 O34 104.0023 ?_??? . ?_??? ?
N10 O34 O34 75.9977 ?_??? . ?_??? ?
N10 O34 C6 77.2896 ?_??? . ?_??? ?
N10 O34 C7 63.7958 ?_??? . ?_??? ?
N10 O34 C2 67.6628 ?_??? . ?_??? ?
N10 O34 C1 80.2716 ?_??? . ?_??? ?
N3 O34 N9 41.5699 ?_??? . ?_??? ?
N3 O34 C8 91.57 ?_??? . ?_??? ?
N3 O34 C14 84.493 ?_??? . ?_??? ?
N3 O34 N12 108.8731 ?_??? . ?_??? ?
N3 O34 N4 71.2185 ?_??? . ?_??? ?
N3 O34 C20 124.9271 ?_??? . ?_??? ?
N3 O34 O34 78.8488 ?_??? . ?_??? ?
N3 O34 O34 101.1512 ?_??? . ?_??? ?
N3 O34 C6 104.8679 ?_??? . ?_??? ?
N3 O34 C7 20.8623 ?_??? . ?_??? ?
N3 O34 C2 84.7454 ?_??? . ?_??? ?
N3 O34 C1 67.9687 ?_??? . ?_??? ?
N9 O34 C8 103.6111 ?_??? . ?_??? ?
N9 O34 C14 125.9544 ?_??? . ?_??? ?
N9 O34 N12 108.1406 ?_??? . ?_??? ?
N9 O34 N4 84.4325 ?_??? . ?_??? ?
N9 O34 C20 83.3592 ?_??? . ?_??? ?
N9 O34 O34 91.8531 ?_??? . ?_??? ?
N9 O34 O34 88.1469 ?_??? . ?_??? ?
N9 O34 C6 91.4716 ?_??? . ?_??? ?
N9 O34 C7 20.7081 ?_??? . ?_??? ?
N9 O34 C2 71.3492 ?_??? . ?_??? ?
N9 O34 C1 68.0601 ?_??? . ?_??? ?
C8 O34 C14 75.2372 ?_??? . ?_??? ?
C8 O34 N12 21.2327 ?_??? . ?_??? ?
C8 O34 N4 21.0987 ?_??? . ?_??? ?
C8 O34 C20 104.9815 ?_??? . ?_??? ?
C8 O34 O34 144.2758 ?_??? . ?_??? ?
C8 O34 O34 35.7242 ?_??? . ?_??? ?
C8 O34 C6 36.0305 ?_??? . ?_??? ?
C8 O34 C7 97.9912 ?_??? . ?_??? ?
C8 O34 C2 41.7652 ?_??? . ?_??? ?
C8 O34 C1 35.8113 ?_??? . ?_??? ?
C14 O34 N12 89.4833 ?_??? . ?_??? ?
C14 O34 N4 79.4116 ?_??? . ?_??? ?
C14 O34 C20 150.2812 ?_??? . ?_??? ?
C14 O34 O34 69.6666 ?_??? . ?_??? ?
C14 O34 O34 110.3334 ?_??? . ?_??? ?
C14 O34 C6 109.6788 ?_??? . ?_??? ?
C14 O34 C7 105.3142 ?_??? . ?_??? ?
C14 O34 C2 115.4482 ?_??? . ?_??? ?
C14 O34 C1 99.5129 ?_??? . ?_??? ?
N12 O34 N4 38.2585 ?_??? . ?_??? ?
N12 O34 C20 84.7896 ?_??? . ?_??? ?
N12 O34 O34 157.3093 ?_??? . ?_??? ?
N12 O34 O34 22.6907 ?_??? . ?_??? ?
N12 O34 C6 20.8226 ?_??? . ?_??? ?
N12 O34 C7 109.7315 ?_??? . ?_??? ?
N12 O34 C2 37.1622 ?_??? . ?_??? ?
N12 O34 C1 43.4671 ?_??? . ?_??? ?
N4 O34 C20 111.7531 ?_??? . ?_??? ?
N4 O34 O34 138.5917 ?_??? . ?_??? ?
N4 O34 O34 41.4083 ?_??? . ?_??? ?
N4 O34 C6 43.6697 ?_??? . ?_??? ?
N4 O34 C7 76.969 ?_??? . ?_??? ?
N4 O34 C2 37.236 ?_??? . ?_??? ?
N4 O34 C1 20.7935 ?_??? . ?_??? ?
C20 O34 O34 108.7059 ?_??? . ?_??? ?
C20 O34 O34 71.2941 ?_??? . ?_??? ?
C20 O34 C6 69.8963 ?_??? . ?_??? ?
C20 O34 C7 104.0672 ?_??? . ?_??? ?
C20 O34 C2 75.5515 ?_??? . ?_??? ?
C20 O34 C1 96.2202 ?_??? . ?_??? ?
O34 O34 O34 180 ?_??? . ?_??? ?
O34 O34 C6 176.2119 ?_??? . ?_??? ?
O34 O34 C7 85.1913 ?_??? . ?_??? ?
O34 O34 C2 162.338 ?_??? . ?_??? ?
O34 O34 C1 146.0978 ?_??? . ?_??? ?
O34 O34 C6 3.7881 ?_??? . ?_??? ?
O34 O34 C7 94.8087 ?_??? . ?_??? ?
O34 O34 C2 17.662 ?_??? . ?_??? ?
O34 O34 C1 33.9022 ?_??? . ?_??? ?
C6 O34 C7 98.5496 ?_??? . ?_??? ?
C6 O34 C2 21.3922 ?_??? . ?_??? ?
C6 O34 C1 37.4176 ?_??? . ?_??? ?
C7 O34 C2 77.1575 ?_??? . ?_??? ?
C7 O34 C1 66.2809 ?_??? . ?_??? ?
C2 O34 C1 21.3552 ?_??? . ?_??? ?
O36 O35 N27 39.3086 ?_??? . ?_??? ?
O36 O35 O35 149.2786 ?_??? . ?_??? ?
O36 O35 O36 149.3041 ?_??? . ?_??? ?
O36 O35 O36 82.0312 ?_??? . ?_??? ?
O36 O35 O35 81.9867 ?_??? . ?_??? ?
O36 O35 C22 47.4602 ?_??? . ?_??? ?
O36 O35 C21 38.2415 ?_??? . ?_??? ?
O36 O35 O36 138.1306 ?_??? . ?_??? ?
O36 O35 O35 138.1551 ?_??? . ?_??? ?
O36 O35 O35 41.8449 ?_??? . ?_??? ?
O36 O35 O36 41.8204 ?_??? . ?_??? ?
N27 O35 O35 135.395 ?_??? . ?_??? ?
N27 O35 O36 135.4065 ?_??? . ?_??? ?
N27 O35 O36 116.8844 ?_??? . ?_??? ?
N27 O35 O35 116.8422 ?_??? . ?_??? ?
N27 O35 C22 20.6369 ?_??? . ?_??? ?
N27 O35 C21 20.0475 ?_??? . ?_??? ?
N27 O35 O36 98.8227 ?_??? . ?_??? ?
N27 O35 O35 98.8472 ?_??? . ?_??? ?
N27 O35 O35 81.1528 ?_??? . ?_??? ?
N27 O35 O36 81.1283 ?_??? . ?_??? ?
O35 O35 O36 0.0256 ?_??? . ?_??? ?
O35 O35 O36 80.0596 ?_??? . ?_??? ?
O35 O35 O35 80.0999 ?_??? . ?_??? ?
O35 O35 C22 117.088 ?_??? . ?_??? ?
O35 O35 C21 151.7316 ?_??? . ?_??? ?
O35 O35 O36 53.6025 ?_??? . ?_??? ?
O35 O35 O35 53.5834 ?_??? . ?_??? ?
O35 O35 O35 126.4166 ?_??? . ?_??? ?
O35 O35 O36 126.4356 ?_??? . ?_??? ?
O36 O35 O36 80.0741 ?_??? . ?_??? ?
O36 O35 O35 80.1145 ?_??? . ?_??? ?
O36 O35 C22 117.104 ?_??? . ?_??? ?
O36 O35 C21 151.7345 ?_??? . ?_??? ?
O36 O35 O36 53.5879 ?_??? . ?_??? ?
O36 O35 O35 53.5688 ?_??? . ?_??? ?
O36 O35 O35 126.4312 ?_??? . ?_??? ?
O36 O35 O36 126.4502 ?_??? . ?_??? ?
O36 O35 O35 0.0445 ?_??? . ?_??? ?
O36 O35 C22 109.1069 ?_??? . ?_??? ?
O36 O35 C21 120.0976 ?_??? . ?_??? ?
O36 O35 O36 133.6621 ?_??? . ?_??? ?
O36 O35 O35 133.643 ?_??? . ?_??? ?
O36 O35 O35 46.357 ?_??? . ?_??? ?
O36 O35 O36 46.3761 ?_??? . ?_??? ?
O35 O35 C22 109.0725 ?_??? . ?_??? ?
O35 O35 C21 120.0532 ?_??? . ?_??? ?
O35 O35 O36 133.7024 ?_??? . ?_??? ?
O35 O35 O35 133.6833 ?_??? . ?_??? ?
O35 O35 O35 46.3167 ?_??? . ?_??? ?
O35 O35 O36 46.3357 ?_??? . ?_??? ?
C22 O35 C21 40.6675 ?_??? . ?_??? ?
C22 O35 O36 93.8387 ?_??? . ?_??? ?
C22 O35 O35 93.8617 ?_??? . ?_??? ?
C22 O35 O35 86.1383 ?_??? . ?_??? ?
C22 O35 O36 86.1152 ?_??? . ?_??? ?
C21 O35 O36 103.7131 ?_??? . ?_??? ?
C21 O35 O35 103.7361 ?_??? . ?_??? ?
C21 O35 O35 76.2639 ?_??? . ?_??? ?
C21 O35 O36 76.2409 ?_??? . ?_??? ?
O36 O35 O35 0.0245 ?_??? . ?_??? ?
O36 O35 O35 179.9755 ?_??? . ?_??? ?
O36 O35 O36 179.951 ?_??? . ?_??? ?
O35 O35 O35 180 ?_??? . ?_??? ?
O35 O35 O36 179.9755 ?_??? . ?_??? ?
O35 O35 O36 0.0245 ?_??? . ?_??? ?
O35 O36 N27 140.6547 ?_??? . ?_??? ?
O35 O36 O35 30.6959 ?_??? . ?_??? ?
O35 O36 O36 30.6703 ?_??? . ?_??? ?
O35 O36 O36 97.9242 ?_??? . ?_??? ?
O35 O36 O35 97.9688 ?_??? . ?_??? ?
O35 O36 C22 132.5088 ?_??? . ?_??? ?
O35 O36 C21 141.7326 ?_??? . ?_??? ?
O35 O36 O35 138.1306 ?_??? . ?_??? ?
O35 O36 O36 41.8449 ?_??? . ?_??? ?
O35 O36 O36 138.1551 ?_??? . ?_??? ?
O35 O36 O35 41.8204 ?_??? . ?_??? ?
N27 O36 O35 135.381 ?_??? . ?_??? ?
N27 O36 O36 135.3925 ?_??? . ?_??? ?
N27 O36 O36 116.9584 ?_??? . ?_??? ?
N27 O36 O35 116.9162 ?_??? . ?_??? ?
N27 O36 C22 20.6459 ?_??? . ?_??? ?
N27 O36 C21 20.0617 ?_??? . ?_??? ?
N27 O36 O35 81.2141 ?_??? . ?_??? ?
N27 O36 O36 98.8105 ?_??? . ?_??? ?
N27 O36 O36 81.1895 ?_??? . ?_??? ?
N27 O36 O35 98.835 ?_??? . ?_??? ?
O35 O36 O36 0.0255 ?_??? . ?_??? ?
O35 O36 O36 80.0338 ?_??? . ?_??? ?
O35 O36 O35 80.0741 ?_??? . ?_??? ?
O35 O36 C22 117.0779 ?_??? . ?_??? ?
O35 O36 C21 151.7197 ?_??? . ?_??? ?
O35 O36 O35 126.4121 ?_??? . ?_??? ?
O35 O36 O36 53.5688 ?_??? . ?_??? ?
O35 O36 O36 126.4312 ?_??? . ?_??? ?
O35 O36 O35 53.5498 ?_??? . ?_??? ?
O36 O36 O36 80.0483 ?_??? . ?_??? ?
O36 O36 O35 80.0887 ?_??? . ?_??? ?
O36 O36 C22 117.0939 ?_??? . ?_??? ?
O36 O36 C21 151.7226 ?_??? . ?_??? ?
O36 O36 O35 126.4266 ?_??? . ?_??? ?
O36 O36 O36 53.5543 ?_??? . ?_??? ?
O36 O36 O36 126.4457 ?_??? . ?_??? ?
O36 O36 O35 53.5352 ?_??? . ?_??? ?
O36 O36 O35 0.0446 ?_??? . ?_??? ?
O36 O36 C22 109.1573 ?_??? . ?_??? ?
O36 O36 C21 120.1678 ?_??? . ?_??? ?
O36 O36 O35 46.3783 ?_??? . ?_??? ?
O36 O36 O36 133.6026 ?_??? . ?_??? ?
O36 O36 O36 46.3974 ?_??? . ?_??? ?
O36 O36 O35 133.5836 ?_??? . ?_??? ?
O35 O36 C22 109.1229 ?_??? . ?_??? ?
O35 O36 C21 120.1233 ?_??? . ?_??? ?
O35 O36 O35 46.3379 ?_??? . ?_??? ?
O35 O36 O36 133.643 ?_??? . ?_??? ?
O35 O36 O36 46.357 ?_??? . ?_??? ?
O35 O36 O35 133.6239 ?_??? . ?_??? ?
C22 O36 C21 40.6903 ?_??? . ?_??? ?
C22 O36 O35 86.1909 ?_??? . ?_??? ?
C22 O36 O36 93.8322 ?_??? . ?_??? ?
C22 O36 O36 86.1678 ?_??? . ?_??? ?
C22 O36 O35 93.8552 ?_??? . ?_??? ?
C21 O36 O35 76.3109 ?_??? . ?_??? ?
C21 O36 O36 103.7121 ?_??? . ?_??? ?
C21 O36 O36 76.2879 ?_??? . ?_??? ?
C21 O36 O35 103.7351 ?_??? . ?_??? ?
O35 O36 O36 179.9755 ?_??? . ?_??? ?
O35 O36 O36 0.0245 ?_??? . ?_??? ?
O35 O36 O35 179.951 ?_??? . ?_??? ?
O36 O36 O36 180 ?_??? . ?_??? ?
O36 O36 O35 0.0245 ?_??? . ?_??? ?
O36 O36 O35 179.9755 ?_??? . ?_??? ?
O37 O37 O37 114.7463 ?_??? . ?_??? ?
O37 O37 C19 101.2648 ?_??? . ?_??? ?
O37 O37 N12 116.2125 ?_??? . ?_??? ?
O37 O37 O37 132.8983 ?_??? . ?_??? ?
O37 O37 O37 47.1017 ?_??? . ?_??? ?
O37 O37 C19 90.5357 ?_??? . ?_??? ?
O37 O37 N12 118.0046 ?_??? . ?_??? ?
O37 O37 O37 18.1519 ?_??? . ?_??? ?
O37 O37 O37 161.8481 ?_??? . ?_??? ?
C19 O37 N12 47.1587 ?_??? . ?_??? ?
C19 O37 O37 86.5907 ?_??? . ?_??? ?
C19 O37 O37 93.4093 ?_??? . ?_??? ?
N12 O37 O37 103.134 ?_??? . ?_??? ?
N12 O37 O37 76.866 ?_??? . ?_??? ?
O37 O37 O37 180 ?_??? . ?_??? ?
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2_NaTPHAP-L
_database_code_depnum_ccdc_archive 'CCDC 1436931'
_audit_update_record             
;
2015-11-13 deposited with the CCDC.
2016-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H32 N9 Na O5'
_chemical_formula_weight         585.60

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'
Na Na 0.0362 0.0249 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

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

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

_cell_length_a                   13.908(14)
_cell_length_b                   20.33(2)
_cell_length_c                   10.298(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2912(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2197
_cell_measurement_theta_min      5.629
_cell_measurement_theta_max      49.120

_exptl_crystal_description       prism
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_F_000             1232
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    0.108
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6736
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   
'microfocus source 30W maximum continuous power'
_diffrn_radiation_monochromator  'Wuazar(TM) Montel multilayer optic'
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21117
_diffrn_reflns_av_unetI/netI     0.0528
_diffrn_reflns_av_R_equivalents  0.0741
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.774
_diffrn_reflns_theta_max         26.448
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3002
_reflns_number_gt                1926
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 sofware Suite'
_computing_cell_refinement       'APEX2 sofware Suite'
_computing_data_reduction        'APEX2 sofware Suite'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  WinGX

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0512P)²+1.2347P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3002
_refine_ls_number_parameters     228
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0485
_refine_ls_wR_factor_ref         0.1252
_refine_ls_wR_factor_gt          0.1055
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1M O 0.89947(12) 0.27246(8) 0.16443(15) 0.0237(4) Uani 1 1 d . . . . .
O2M O 1.11511(11) 0.18245(8) 0.08117(16) 0.0222(4) Uani 1 1 d . . . . .
C2M C 1.20254(17) 0.15226(12) 0.1161(2) 0.0304(6) Uani 1 1 d . . . . .
H2M1 H 1.2313 0.1761 0.1866 0.046 Uiso 1 1 calc R U . . .
H2M2 H 1.2453 0.1524 0.0430 0.046 Uiso 1 1 calc R U . . .
H2M3 H 1.1906 0.1077 0.1425 0.046 Uiso 1 1 calc R U . . .
C1M C 0.94815(19) 0.31749(12) 0.0813(2) 0.0345(6) Uani 1 1 d . . . . .
H1M1 H 0.9506 0.3600 0.1218 0.052 Uiso 1 1 calc R U . . .
H1M2 H 0.9143 0.3207 0.0002 0.052 Uiso 1 1 calc R U . . .
H1M3 H 1.0124 0.3021 0.0657 0.052 Uiso 1 1 calc R U . . .
O3M O 0.9892(4) 0.4963(2) 0.1800(4) 0.0535(12) Uani 0.5 1 d . . P . .
C3M C 1.0028(9) 0.5003(5) 0.0438(7) 0.065(3) Uani 0.5 1 d . . P . .
H2OM H 1.0968(18) 0.1649(12) 0.015(3) 0.033(8) Uiso 1 1 d . . . . .
H1MO H 0.864(2) 0.2973(14) 0.214(3) 0.053(9) Uiso 1 1 d . . . . .
H3M1 H 1.062(5) 0.525(3) 0.009(5) 0.033(15) Uiso 0.5 1 d . . P . .
H3M2 H 1.012(5) 0.463(3) 0.004(6) 0.031(16) Uiso 0.5 1 d . . P . .
H3M3 H 0.931(8) 0.515(6) 0.021(9) 0.11(4) Uiso 0.5 1 d . . P . .
H3OM H 0.993(5) 0.531(2) 0.208(5) 0.035(19) Uiso 0.5 1 d . . P . .
Na1 Na 1.0000 0.18975(6) 0.2500 0.0199(3) Uani 1 2 d S T P . .
C7 C 1.0000 -0.02633(15) 0.2500 0.0161(6) Uani 1 2 d S T P . .
N2 N 0.88742(12) -0.02719(8) 0.07480(16) 0.0170(4) Uani 1 1 d . . . . .
N3 N 0.94322(12) 0.07590(8) 0.16662(16) 0.0161(4) Uani 1 1 d . . . . .
N1 N 1.05558(13) 0.12712(8) -0.15945(17) 0.0164(4) Uani 1 1 d . . . . .
C12 C 0.82627(15) 0.07563(10) -0.0045(2) 0.0169(5) Uani 1 1 d . . . . .
C14 C 1.0000 0.04244(14) 0.2500 0.0154(6) Uani 1 2 d S T P . .
C6 C 1.05655(15) -0.06005(10) 0.3400(2) 0.0167(5) Uani 1 1 d . . . . .
C13 C 0.89063(15) 0.03885(10) 0.0856(2) 0.0166(5) Uani 1 1 d . . . . .
C5 C 1.0000 0.15545(14) -0.2500 0.0165(7) Uani 1 2 d S T P . .
N4 N 0.70383(14) 0.14565(9) -0.17149(18) 0.0251(5) Uani 1 1 d . . . . .
C3 C 1.0000 0.22899(14) -0.2500 0.0171(7) Uani 1 2 d S T P . .
C10 C 0.81940(18) 0.14341(11) 0.0004(2) 0.0270(6) Uani 1 1 d . . . . .
H10 H 0.8561 0.1673 0.0593 0.032 Uiso 1 1 calc R U . . .
N5 N 1.0000 0.36690(12) -0.2500 0.0233(6) Uani 1 2 d S T P . .
C2 C 0.92157(16) 0.26427(10) -0.2959(2) 0.0188(5) Uani 1 1 d . . . . .
H2 H 0.8675 0.2426 -0.3275 0.023 Uiso 1 1 calc R U . . .
C1 C 0.92540(17) 0.33213(11) -0.2940(2) 0.0230(5) Uani 1 1 d . . . . .
H1 H 0.8725 0.3551 -0.3253 0.028 Uiso 1 1 calc R U . . .
C8 C 0.75757(18) 0.17518(12) -0.0829(2) 0.0286(6) Uani 1 1 d . . . . .
H8 H 0.7532 0.2207 -0.0766 0.034 Uiso 1 1 calc R U . . .
C9 C 0.7108(2) 0.08023(13) -0.1762(3) 0.0411(7) Uani 1 1 d . . . . .
H9 H 0.6742 0.0578 -0.2375 0.049 Uiso 1 1 calc R U . . .
C11 C 0.76930(19) 0.04396(12) -0.0951(2) 0.0347(7) Uani 1 1 d . . . . .
H11 H 0.7704 -0.0017 -0.1013 0.042 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1M C1M 1.425(3) . ?
O1M Na1 2.358(2) . ?
O2M C2M 1.409(3) . ?
O2M Na1 2.368(2) . ?
O3M C3M 1.418(8) . ?
O3M O3M 1.472(9) 4_755 ?
C3M C3M 0.905(15) 5_765 ?
Na1 O1M 2.358(2) 4_755 ?
Na1 O2M 2.368(2) 4_755 ?
Na1 N3 2.592(3) 4_755 ?
Na1 N3 2.592(3) . ?
Na1 C14 2.995(4) . ?
C7 C6 1.396(3) . ?
C7 C6 1.396(3) 4_755 ?
C7 C14 1.398(4) . ?
N2 C13 1.348(3) . ?
N2 C6 1.350(3) 4_755 ?
N3 C13 1.341(3) . ?
N3 C14 1.350(2) . ?
N1 C5 1.341(2) . ?
N1 C6 1.364(3) 8 ?
C12 C10 1.382(3) . ?
C12 C11 1.383(3) . ?
C12 C13 1.490(3) . ?
C14 N3 1.350(2) 4_755 ?
C6 N2 1.350(3) 4_755 ?
C6 N1 1.364(3) 8_556 ?
C5 N1 1.341(2) 4_754 ?
C5 C3 1.495(4) . ?
N4 C8 1.323(3) . ?
N4 C9 1.334(3) . ?
C3 C2 1.389(3) . ?
C3 C2 1.389(3) 4_754 ?
C10 C8 1.376(3) . ?
N5 C1 1.335(3) 4_754 ?
N5 C1 1.335(3) . ?
C2 C1 1.381(3) . ?
C9 C11 1.379(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1M O1M Na1 113.64(16) . . ?
C2M O2M Na1 115.04(15) . . ?
C3M O3M O3M 160.3(8) . 4_755 ?
C3M C3M O3M 167(2) 5_765 . ?
O1M Na1 O1M 89.01(12) . 4_755 ?
O1M Na1 O2M 99.86(8) . . ?
O1M Na1 O2M 85.30(8) 4_755 . ?
O1M Na1 O2M 85.30(8) . 4_755 ?
O1M Na1 O2M 99.86(8) 4_755 4_755 ?
O2M Na1 O2M 172.82(9) . 4_755 ?
O1M Na1 N3 160.28(6) . 4_755 ?
O1M Na1 N3 109.41(9) 4_755 4_755 ?
O2M Na1 N3 88.93(7) . 4_755 ?
O2M Na1 N3 84.66(7) 4_755 4_755 ?
O1M Na1 N3 109.41(9) . . ?
O1M Na1 N3 160.28(6) 4_755 . ?
O2M Na1 N3 84.66(7) . . ?
O2M Na1 N3 88.93(7) 4_755 . ?
N3 Na1 N3 53.50(10) 4_755 . ?
O1M Na1 C14 135.49(6) . . ?
O1M Na1 C14 135.49(6) 4_755 . ?
O2M Na1 C14 86.41(5) . . ?
O2M Na1 C14 86.41(5) 4_755 . ?
N3 Na1 C14 26.75(5) 4_755 . ?
N3 Na1 C14 26.75(5) . . ?
C6 C7 C6 121.2(3) . 4_755 ?
C6 C7 C14 119.41(14) . . ?
C6 C7 C14 119.41(14) 4_755 . ?
C13 N2 C6 114.85(18) . 4_755 ?
C13 N3 C14 115.6(2) . . ?
C13 N3 Na1 150.90(14) . . ?
C14 N3 Na1 93.50(15) . . ?
C5 N1 C6 115.6(2) . 8 ?
C10 C12 C11 116.7(2) . . ?
C10 C12 C13 121.3(2) . . ?
C11 C12 C13 122.0(2) . . ?
N3 C14 N3 119.5(3) 4_755 . ?
N3 C14 C7 120.25(13) 4_755 . ?
N3 C14 C7 120.25(13) . . ?
N3 C14 Na1 59.75(13) 4_755 . ?
N3 C14 Na1 59.75(13) . . ?
C7 C14 Na1 180.0 . . ?
N2 C6 N1 119.86(19) 4_755 8_556 ?
N2 C6 C7 120.9(2) 4_755 . ?
N1 C6 C7 119.2(2) 8_556 . ?
N3 C13 N2 128.9(2) . . ?
N3 C13 C12 115.66(19) . . ?
N2 C13 C12 115.39(19) . . ?
N1 C5 N1 129.1(3) . 4_754 ?
N1 C5 C3 115.43(14) . . ?
N1 C5 C3 115.42(14) 4_754 . ?
C8 N4 C9 115.8(2) . . ?
C2 C3 C2 117.8(3) . 4_754 ?
C2 C3 C5 121.09(14) . . ?
C2 C3 C5 121.09(14) 4_754 . ?
C8 C10 C12 119.3(2) . . ?
C1 N5 C1 116.0(3) 4_754 . ?
C1 C2 C3 118.7(2) . . ?
N5 C1 C2 124.3(2) . . ?
N4 C8 C10 124.8(2) . . ?
N4 C9 C11 123.6(2) . . ?
C9 C11 C12 119.8(2) . . ?

_refine_diff_density_max         0.287
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.055

_shelxl_version_number           2014-3


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

data_3_NH4TPHAP-H
_database_code_depnum_ccdc_archive 'CCDC 1436932'
_audit_update_record             
;
2015-11-13 deposited with the CCDC.
2016-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H16 N10 O3.75'
_chemical_formula_weight         480.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0036 0.0018 '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 0.0071 0.0037 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0123 0.0068 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   39.9667(3)
_cell_length_b                   3.761
_cell_length_c                   35.3988(4)
_cell_angle_alpha                90
_cell_angle_beta                 122.88
_cell_angle_gamma                90
_cell_volume                     4468.64(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5108
_cell_measurement_theta_min      2.152
_cell_measurement_theta_max      29.554

_exptl_crystal_description       needle
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_F_000             1984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    0.115
_shelx_estimated_absorpt_T_min   0.961
_shelx_estimated_absorpt_T_max   0.999
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.750
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_radiation_monochromator  'Si(111) double crystal monochromator'
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40593
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         2.152
_diffrn_reflns_theta_max         29.554
_diffrn_reflns_theta_full        26.744
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             5108
_reflns_number_gt                3736
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1051P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5108
_refine_ls_number_parameters     439
_refine_ls_number_restraints     81
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0496
_refine_ls_wR_factor_ref         0.1492
_refine_ls_wR_factor_gt          0.1369
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1W O -0.05945(3) -0.0067(3) -0.24807(4) 0.0282(3) Uani 1 1 d . . . A 1
N1A N 0.0000 -0.4044(5) -0.2500 0.0209(4) Uani 1 2 d S T P B 2
N2A N 0.19659(11) 0.5853(11) -0.03159(14) 0.0404(9) Uani 0.5 1 d . . P C 3
O21W O 0.2218(6) 0.626(4) -0.0144(4) 0.079(6) Uani 0.159(7) 1 d . U P D 4
O22W O 0.2081(4) 0.918(4) -0.0257(4) 0.077(7) Uani 0.151(7) 1 d . U P E 5
O23W O 0.22953(12) 0.2458(15) 0.00025(14) 0.0486(18) Uani 0.328(6) 1 d . U P F
6
O31W O -0.0189(2) -0.543(4) 0.0360(3) 0.075(4) Uani 0.252(10) 1 d . U P G 7
O32W O -0.0282(2) -0.344(3) 0.0111(5) 0.076(5) Uani 0.264(11) 1 d . U P H 8
O33W O -0.0209(3) -0.615(4) 0.0032(4) 0.088(6) Uani 0.210(9) 1 d . U P I 9
O34W O -0.0171(4) -0.975(4) -0.0061(5) 0.106(6) Uani 0.202(8) 1 d . U P J 10
O35W O -0.0111(3) -0.966(5) 0.0304(4) 0.078(6) Uani 0.137(7) 1 d . U P K 11
O41W O 0.2596(3) -0.163(6) 0.2292(3) 0.089(5) Uani 0.288(14) 1 d . U P L 12
O42W O 0.2520(4) -0.564(4) 0.2337(5) 0.189(7) Uani 0.349(12) 1 d . U P M 13
O43W O 0.2778(3) 0.146(4) 0.2687(3) 0.066(5) Uani 0.161(7) 1 d . U P N 14
O44W O 0.2690(4) -0.400(8) 0.2256(4) 0.063(7) Uani 0.159(15) 1 d . U P O 15
N1 N 0.36132(4) 0.3479(4) 0.17835(4) 0.0257(3) Uani 1 1 d . . . . .
C1 C 0.34658(4) 0.1762(4) 0.19918(5) 0.0265(3) Uani 1 1 d . . . . .
H1 H 0.3647 0.1029 0.2294 0.032 Uiso 1 1 calc R U . . .
N2 N 0.04027(4) 0.2581(4) -0.16266(4) 0.0235(3) Uani 1 1 d . . . . .
C2 C 0.30648(4) 0.0978(4) 0.17954(5) 0.0248(3) Uani 1 1 d . . . . .
H2 H 0.2975 -0.0208 0.1962 0.030 Uiso 1 1 calc R U . . .
C3 C 0.27961(4) 0.1966(4) 0.13489(5) 0.0218(3) Uani 1 1 d . . . . .
N3 N 0.08194(4) -0.7690(4) 0.18384(4) 0.0303(3) Uani 1 1 d . . . . .
N4 N 0.21496(3) 0.1893(3) 0.06694(4) 0.0223(3) Uani 1 1 d . . . . .
C4 C 0.29452(4) 0.3769(4) 0.11289(5) 0.0248(3) Uani 1 1 d . . . . .
H4 H 0.2772 0.4518 0.0826 0.030 Uiso 1 1 calc R U . . .
N5 N 0.22423(3) -0.0541(3) 0.13532(4) 0.0216(3) Uani 1 1 d . . . . .
C5 C 0.33525(4) 0.4468(4) 0.13576(5) 0.0266(3) Uani 1 1 d . . . . .
H5 H 0.3450 0.5712 0.1203 0.032 Uiso 1 1 calc R U . . .
N6 N 0.15190(3) 0.1758(3) -0.00027(4) 0.0216(3) Uani 1 1 d . . . . .
N7 N 0.16961(3) -0.2938(3) 0.13468(4) 0.0208(3) Uani 1 1 d . . . . .
N8 N 0.09561(3) -0.0741(3) -0.00126(4) 0.0202(3) Uani 1 1 d . . . . .
N9 N 0.10398(3) -0.2947(3) 0.06548(4) 0.0203(3) Uani 1 1 d . . . . .
C21 C 0.07881(5) 0.3475(4) -0.13856(5) 0.0249(3) Uani 1 1 d . . . . .
H21 H 0.0899 0.4507 -0.1539 0.030 Uiso 1 1 calc R U . . .
C22 C 0.10345(4) 0.2978(4) -0.09245(5) 0.0235(3) Uani 1 1 d . . . . .
H22 H 0.1307 0.3655 -0.0768 0.028 Uiso 1 1 calc R U . . .
C23 C 0.08778(4) 0.1476(4) -0.06943(4) 0.0190(3) Uani 1 1 d . . . . .
C24 C 0.04755(4) 0.0569(4) -0.09409(5) 0.0233(3) Uani 1 1 d . . . . .
H24 H 0.0355 -0.0438 -0.0796 0.028 Uiso 1 1 calc R U . . .
C25 C 0.02535(4) 0.1162(4) -0.14019(5) 0.0252(3) Uani 1 1 d . . . . .
H25 H -0.0020 0.0524 -0.1567 0.030 Uiso 1 1 calc R U . . .
C31 C 0.05878(5) -0.6209(4) 0.14319(6) 0.0295(4) Uani 1 1 d . . . . .
H31 H 0.0311 -0.6009 0.1313 0.035 Uiso 1 1 calc R U . . .
C32 C 0.07265(5) -0.4945(4) 0.11725(5) 0.0251(3) Uani 1 1 d . . . . .
H32 H 0.0547 -0.3980 0.0882 0.030 Uiso 1 1 calc R U . . .
C33 C 0.11314(4) -0.5112(4) 0.13435(5) 0.0212(3) Uani 1 1 d . . . . .
C34 C 0.13772(5) -0.6669(4) 0.17653(5) 0.0263(3) Uani 1 1 d . . . . .
H34 H 0.1656 -0.6865 0.1894 0.032 Uiso 1 1 calc R U . . .
C35 C 0.12085(5) -0.7925(4) 0.19933(5) 0.0295(4) Uani 1 1 d . . . . .
H35 H 0.1379 -0.9024 0.2277 0.035 Uiso 1 1 calc R U . . .
C101 C 0.23638(4) 0.1051(4) 0.11072(5) 0.0210(3) Uani 1 1 d . . . . .
C102 C 0.17582(4) 0.1047(4) 0.04430(5) 0.0198(3) Uani 1 1 d . . . . .
C103 C 0.18498(4) -0.1370(4) 0.11282(5) 0.0200(3) Uani 1 1 d . . . . .
C104 C 0.16010(4) -0.0582(4) 0.06689(4) 0.0186(3) Uani 1 1 d . . . . .
C105 C 0.11361(4) 0.0794(4) -0.01995(5) 0.0194(3) Uani 1 1 d . . . . .
C106 C 0.11943(4) -0.1432(4) 0.04342(5) 0.0187(3) Uani 1 1 d . . . . .
C107 C 0.13019(4) -0.3574(4) 0.10954(5) 0.0198(3) Uani 1 1 d . . . . .
H11W H -0.0677(8) -0.098(7) -0.2299(9) 0.071(8) Uiso 1 1 d . . . P 1
H12W H -0.0850(8) 0.020(7) -0.2781(8) 0.066(7) Uiso 1 1 d . . . Q 1
H21W H -0.0141(6) -0.545(6) -0.2782(7) 0.041(5) Uiso 1 1 d . . . R 2
H22W H -0.0209(6) -0.267(5) -0.2519(6) 0.036(5) Uiso 1 1 d . . . S 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O23W O23W 1.646(8) 7 ?
O34W O34W 1.20(2) 5_535 ?
N1 C1 1.334(2) . ?
N1 C5 1.338(2) . ?
C1 C2 1.389(2) . ?
N2 C21 1.337(2) . ?
N2 C25 1.337(2) . ?
C2 C3 1.395(2) . ?
C3 C4 1.387(2) . ?
C3 C101 1.4936(19) . ?
N3 C31 1.338(2) . ?
N3 C35 1.342(2) . ?
N4 C101 1.3397(19) . ?
N4 C102 1.3526(18) . ?
C4 C5 1.394(2) . ?
N5 C101 1.346(2) . ?
N5 C103 1.3547(18) . ?
N6 C105 1.3419(18) . ?
N6 C102 1.3554(18) . ?
N7 C107 1.3453(18) . ?
N7 C103 1.3564(19) . ?
N8 C105 1.3439(19) . ?
N8 C106 1.3564(18) . ?
N9 C107 1.3461(18) . ?
N9 C106 1.3562(19) . ?
C21 C22 1.387(2) . ?
C22 C23 1.389(2) . ?
C23 C24 1.3927(19) . ?
C23 C105 1.4953(18) . ?
C24 C25 1.388(2) . ?
C31 C32 1.389(2) . ?
C32 C33 1.387(2) . ?
C33 C34 1.394(2) . ?
C33 C107 1.490(2) . ?
C34 C35 1.386(2) . ?
C102 C104 1.398(2) . ?
C103 C104 1.4016(19) . ?
C104 C106 1.4029(19) . ?

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
C1 N1 C5 116.72(13) . . ?
N1 C1 C2 124.20(14) . . ?
C21 N2 C25 116.90(13) . . ?
C1 C2 C3 118.66(15) . . ?
C4 C3 C2 117.72(13) . . ?
C4 C3 C101 120.46(13) . . ?
C2 C3 C101 121.80(14) . . ?
C31 N3 C35 116.00(14) . . ?
C101 N4 C102 115.91(13) . . ?
C3 C4 C5 119.21(14) . . ?
C101 N5 C103 115.55(12) . . ?
N1 C5 C4 123.46(15) . . ?
C105 N6 C102 115.86(12) . . ?
C107 N7 C103 115.51(12) . . ?
C105 N8 C106 115.60(12) . . ?
C107 N9 C106 115.45(12) . . ?
N2 C21 C22 123.59(14) . . ?
C21 C22 C23 119.13(14) . . ?
C22 C23 C24 117.83(13) . . ?
C22 C23 C105 120.80(13) . . ?
C24 C23 C105 121.35(13) . . ?
C25 C24 C23 118.75(14) . . ?
N2 C25 C24 123.80(14) . . ?
N3 C31 C32 124.19(15) . . ?
C33 C32 C31 119.06(14) . . ?
C32 C33 C34 117.58(14) . . ?
C32 C33 C107 121.57(13) . . ?
C34 C33 C107 120.82(13) . . ?
C35 C34 C33 118.96(15) . . ?
N3 C35 C34 124.18(15) . . ?
N4 C101 N5 128.69(13) . . ?
N4 C101 C3 114.97(13) . . ?
N5 C101 C3 116.33(12) . . ?
N4 C102 N6 120.09(13) . . ?
N4 C102 C104 119.90(13) . . ?
N6 C102 C104 120.01(13) . . ?
N5 C103 N7 120.20(12) . . ?
N5 C103 C104 119.96(13) . . ?
N7 C103 C104 119.84(13) . . ?
C102 C104 C103 119.98(13) . . ?
C102 C104 C106 119.80(12) . . ?
C103 C104 C106 120.22(13) . . ?
N6 C105 N8 128.65(13) . . ?
N6 C105 C23 115.45(12) . . ?
N8 C105 C23 115.89(12) . . ?
N9 C106 N8 120.08(12) . . ?
N9 C106 C104 119.86(12) . . ?
N8 C106 C104 120.06(13) . . ?
N7 C107 N9 129.09(14) . . ?
N7 C107 C33 115.18(12) . . ?
N9 C107 C33 115.72(12) . . ?

_refine_diff_density_max         0.430
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.083

_shelxl_version_number           2014-3


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

data_4_NH4TPHAP-L
_database_code_depnum_ccdc_archive 'CCDC 1436933'
_audit_update_record             
;
2015-11-13 deposited with the CCDC.
2016-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22.88 H19 N10 O0.87'
_chemical_formula_weight         447.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 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 0.0059 0.0032 '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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           86
_space_group_name_H-M_alt        'P 42/n'
_space_group_name_Hall           '-P 4bc'

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

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

_cell_length_a                   21.67920(10)
_cell_length_b                   21.67920(10)
_cell_length_c                   9.235
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4340.34(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6333
_cell_measurement_theta_min      2.361
_cell_measurement_theta_max      29.529

_exptl_crystal_description       prism
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_F_000             1866
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    0.088
_shelx_estimated_absorpt_T_min   0.993
_shelx_estimated_absorpt_T_max   0.999
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   none

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.700
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_radiation_monochromator  'Si(111) double crystal monochromator'
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            131795
_diffrn_reflns_av_unetI/netI     0.0122
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.361
_diffrn_reflns_theta_max         29.529
_diffrn_reflns_theta_full        24.835
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             6333
_reflns_number_gt                5779
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0921P)²+1.3420P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6333
_refine_ls_number_parameters     384
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0508
_refine_ls_wR_factor_ref         0.1498
_refine_ls_wR_factor_gt          0.1469
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.071
_refine_ls_shift/su_mean         0.003

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1A N 0.52925(5) 0.16505(4) 0.83833(11) 0.02477(19) Uani 1 1 d . . . . .
O1M O 0.28380(6) 0.38971(7) 0.53277(14) 0.0495(5) Uani 0.869(5) 1 d . . P . .
C1M C 0.27129(12) 0.32589(13) 0.5446(3) 0.0598(6) Uani 0.869(5) 1 d . . P . .
H22 H 0.2417(9) 0.5548(9) 0.402(2) 0.046(5) Uiso 1 1 d . . . . .
H2 H 0.5727(9) 0.3610(9) 0.468(2) 0.046(5) Uiso 1 1 d . . . . .
H21 H 0.1414(8) 0.6020(8) 0.3746(18) 0.036(4) Uiso 1 1 d . . . . .
H24 H 0.3015(8) 0.6708(8) 0.0698(19) 0.035(4) Uiso 1 1 d . . . . .
H3 H 0.4117(8) 0.2891(8) 0.763(2) 0.040(4) Uiso 1 1 d . . . . .
H14 H 0.6575(8) 0.5160(8) 0.0373(18) 0.032(4) Uiso 1 1 d . . . . .
H1 H 0.5817(8) 0.2711(8) 0.6204(19) 0.037(4) Uiso 1 1 d . . . . .
H4 H 0.3906(8) 0.3762(8) 0.6051(18) 0.034(4) Uiso 1 1 d . . . . .
H13 H 0.7350(9) 0.5492(9) -0.121(2) 0.042(5) Uiso 1 1 d . . . . .
H23 H 0.1988(9) 0.7077(9) 0.054(2) 0.045(5) Uiso 1 1 d . . . . .
H12 H 0.5480(8) 0.6606(8) -0.1064(19) 0.038(4) Uiso 1 1 d . . . . .
H11 H 0.6316(9) 0.6873(9) -0.257(2) 0.049(5) Uiso 1 1 d . . . . .
H1A H 0.5136(9) 0.1337(9) 0.781(2) 0.044(5) Uiso 1 1 d . . . . .
H2A H 0.5739(11) 0.1650(10) 0.825(2) 0.056(5) Uiso 1 1 d . . . . .
H3A H 0.5150(9) 0.2032(9) 0.800(2) 0.045(5) Uiso 1 1 d . . . . .
H4A H 0.5198(11) 0.1605(11) 0.931(3) 0.063(6) Uiso 1 1 d . . . . .
H2M H 0.2667(15) 0.3044(15) 0.656(4) 0.105(10) Uiso 1 1 d . . . . .
H3M H 0.233(3) 0.298(2) 0.527(6) 0.19(2) Uiso 1 1 d . . . . .
H4M H 0.308(3) 0.295(2) 0.530(6) 0.190(19) Uiso 1 1 d . . . . .
N32 N 0.55721(4) 0.51624(4) 0.16766(10) 0.02056(17) Uani 1 1 d . . . . .
N34 N 0.38637(4) 0.60118(4) 0.14618(10) 0.02186(18) Uani 1 1 d . . . . .
N36 N 0.41501(4) 0.45670(4) 0.42965(10) 0.02286(18) Uani 1 1 d . . . . .
N31 N 0.51992(4) 0.44677(4) 0.34153(9) 0.02123(17) Uani 1 1 d . . . . .
N35 N 0.35085(4) 0.53420(4) 0.33965(10) 0.02277(18) Uani 1 1 d . . . . .
C37 C 0.45289(4) 0.52421(4) 0.24567(11) 0.01998(19) Uani 1 1 d . . . . .
C3 C 0.48041(5) 0.37669(5) 0.52064(11) 0.02165(19) Uani 1 1 d . . . . .
N1 N 0.49757(5) 0.27567(4) 0.70363(11) 0.0275(2) Uani 1 1 d . . . . .
C34 C 0.44262(4) 0.57381(5) 0.15093(11) 0.02009(19) Uani 1 1 d . . . . .
C32 C 0.51045(4) 0.49517(4) 0.25131(10) 0.01961(19) Uani 1 1 d . . . . .
N33 N 0.48908(4) 0.59368(4) 0.06445(9) 0.02084(18) Uani 1 1 d . . . . .
C23 C 0.28234(5) 0.60840(5) 0.23595(12) 0.0229(2) Uani 1 1 d . . . . .
C33 C 0.54284(4) 0.56379(4) 0.07950(11) 0.01960(19) Uani 1 1 d . . . . .
C35 C 0.34480(5) 0.57941(5) 0.24111(11) 0.02163(19) Uani 1 1 d . . . . .
C13 C 0.59415(4) 0.58531(4) -0.01591(11) 0.02100(19) Uani 1 1 d . . . . .
N20 N 0.16334(4) 0.65940(5) 0.21860(12) 0.0300(2) Uani 1 1 d . . . . .
C2 C 0.53681(5) 0.34642(5) 0.52639(13) 0.0271(2) Uani 1 1 d . . . . .
C36 C 0.40579(5) 0.50465(5) 0.33894(11) 0.02111(19) Uani 1 1 d . . . . .
C5 C 0.44366(6) 0.30538(5) 0.69867(14) 0.0297(2) Uani 1 1 d . . . . .
C1 C 0.54311(5) 0.29638(5) 0.61910(13) 0.0286(2) Uani 1 1 d . . . . .
C12 C 0.58686(5) 0.63623(5) -0.10641(13) 0.0275(2) Uani 1 1 d . . . . .
C4 C 0.43278(5) 0.35586(5) 0.60941(13) 0.0263(2) Uani 1 1 d . . . . .
C15 C 0.69551(5) 0.57370(6) -0.11696(14) 0.0304(2) Uani 1 1 d . . . . .
C21 C 0.17679(5) 0.61478(6) 0.31417(13) 0.0301(2) Uani 1 1 d . . . . .
C31 C 0.47116(5) 0.43075(5) 0.42299(11) 0.02097(19) Uani 1 1 d . . . . .
C24 C 0.26879(5) 0.65496(5) 0.13677(15) 0.0295(2) Uani 1 1 d . . . . .
N10 N 0.68849(5) 0.62168(5) -0.20713(14) 0.0376(3) Uani 1 1 d . . . . .
C14 C 0.65026(5) 0.55394(5) -0.02078(12) 0.0247(2) Uani 1 1 d . . . . .
C11 C 0.63487(6) 0.65236(6) -0.19892(16) 0.0354(3) Uani 1 1 d . . . . .
C22 C 0.23482(5) 0.58810(6) 0.32639(12) 0.0283(2) Uani 1 1 d . . . . .
C25 C 0.20937(5) 0.67856(5) 0.13199(16) 0.0332(3) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1M C1M 1.414(3) . ?
N32 C33 1.3500(12) . ?
N32 C32 1.3540(12) . ?
N34 C35 1.3430(13) . ?
N34 C34 1.3568(12) . ?
N36 C31 1.3424(13) . ?
N36 C36 1.3499(13) . ?
N31 C31 1.3431(13) . ?
N31 C32 1.3556(12) . ?
N35 C35 1.3437(13) . ?
N35 C36 1.3525(12) . ?
C37 C32 1.3987(13) . ?
C37 C36 1.4016(13) . ?
C37 C34 1.4039(13) . ?
C3 C2 1.3886(14) . ?
C3 C4 1.3936(14) . ?
C3 C31 1.4923(13) . ?
N1 C1 1.3363(15) . ?
N1 C5 1.3352(15) . ?
C34 N33 1.3558(12) . ?
N33 C33 1.3407(12) . ?
C23 C24 1.3943(15) . ?
C23 C22 1.3973(15) . ?
C23 C35 1.4935(14) . ?
C33 C13 1.4937(13) . ?
C13 C12 1.3936(14) . ?
C13 C14 1.3944(14) . ?
N20 C21 1.3414(16) . ?
N20 C25 1.3447(16) . ?
C2 C1 1.3887(15) . ?
C5 C4 1.3903(15) . ?
C12 C11 1.3912(16) . ?
C15 N10 1.3410(15) . ?
C15 C14 1.3909(15) . ?
C21 C22 1.3892(15) . ?
C24 C25 1.3869(15) . ?
N10 C11 1.3414(16) . ?

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
C33 N32 C32 115.40(8) . . ?
C35 N34 C34 115.36(9) . . ?
C31 N36 C36 115.38(9) . . ?
C31 N31 C32 115.16(9) . . ?
C35 N35 C36 115.35(9) . . ?
C32 C37 C36 119.40(9) . . ?
C32 C37 C34 120.63(9) . . ?
C36 C37 C34 119.95(9) . . ?
C2 C3 C4 118.48(9) . . ?
C2 C3 C31 120.83(9) . . ?
C4 C3 C31 120.68(9) . . ?
C1 N1 C5 117.69(9) . . ?
N33 C34 N34 120.64(9) . . ?
N33 C34 C37 119.51(9) . . ?
N34 C34 C37 119.85(9) . . ?
N32 C32 N31 119.90(9) . . ?
N32 C32 C37 119.66(9) . . ?
N31 C32 C37 120.43(9) . . ?
C33 N33 C34 115.54(8) . . ?
C24 C23 C22 117.73(10) . . ?
C24 C23 C35 121.11(9) . . ?
C22 C23 C35 121.11(9) . . ?
N33 C33 N32 129.21(9) . . ?
N33 C33 C13 115.80(8) . . ?
N32 C33 C13 114.99(8) . . ?
N34 C35 N35 129.26(9) . . ?
N34 C35 C23 116.08(9) . . ?
N35 C35 C23 114.65(9) . . ?
C12 C13 C14 117.77(9) . . ?
C12 C13 C33 121.12(9) . . ?
C14 C13 C33 121.09(9) . . ?
C21 N20 C25 116.92(10) . . ?
C1 C2 C3 118.64(10) . . ?
N36 C36 N35 119.49(9) . . ?
N36 C36 C37 120.43(9) . . ?
N35 C36 C37 120.08(9) . . ?
N1 C5 C4 123.27(10) . . ?
N1 C1 C2 123.35(10) . . ?
C11 C12 C13 118.85(10) . . ?
C5 C4 C3 118.56(10) . . ?
N10 C15 C14 123.73(10) . . ?
N20 C21 C22 123.40(11) . . ?
N36 C31 N31 129.13(9) . . ?
N36 C31 C3 115.05(9) . . ?
N31 C31 C3 115.83(9) . . ?
C25 C24 C23 118.92(11) . . ?
C15 N10 C11 116.61(10) . . ?
C15 C14 C13 119.06(10) . . ?
N10 C11 C12 123.95(11) . . ?
C21 C22 C23 119.21(11) . . ?
N20 C25 C24 123.81(11) . . ?

_refine_diff_density_max         0.423
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.058

_shelxl_version_number           2014-3





