# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_20190520zhangjingjing
_database_code_depnum_ccdc_archive 'CCDC 1947293'
loop_
_audit_author_name
_audit_author_address
'Jingjing Zhang'
;Beijing, Tsinghua University
China
;
_audit_update_record             
;
2019-11-01 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;
_audit_creation_date             2019-10-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C14.4 H18.9 N1.8 P0.9, 2(C0.8 H1.05 N0.1 O0.05 P0.05)'
_chemical_formula_sum            'C16 H21 N2 O0.10 P'
_chemical_formula_weight         273.92
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     'C H N Cl'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   8.6130(19)
_cell_length_b                   17.700(8)
_cell_length_c                   9.511(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1449.9(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1067
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      72.5200
_cell_measurement_theta_min      5.7160
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.575
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59138
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             587
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1165
_diffrn_reflns_av_unetI/netI     0.0817
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4492
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        59.971
_diffrn_reflns_theta_max         59.971
_diffrn_reflns_theta_min         4.997
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2137
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -115.00 -16.00   1.00    1.00    --  -40.81 -38.00 150.00   99
  2  ω    -14.00  65.00   1.00    1.00    --   40.81 -57.00 -30.00   79
  3  ω      7.00  34.00   1.00    1.00    --   40.81 -99.00 -60.00   27
  4  ω     38.00  81.00   1.00    1.00    --   40.81-125.00-180.00   43
  5  ω     55.00  97.00   1.00    3.00    --  107.77-125.00 120.00   42
  6  ω     94.00 159.00   1.00    3.00    --  107.77 125.00 -60.00   65
  7  ω     36.00 111.00   1.00    3.00    --  107.77 -61.00 -90.00   75
  8  ω     78.00 173.00   1.00    3.00    --  107.77  77.00-180.00   95
  9  ω     66.00 116.00   1.00    3.00    --  107.77-125.00-180.00   50
 10  ω    129.00 169.00   1.00    3.00    --  107.77 125.00 -30.00   40
 11  ω     90.00 165.00   1.00    3.00    --  107.77  15.00 120.00   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1023464000
_diffrn_orient_matrix_UB_12      0.0433140000
_diffrn_orient_matrix_UB_13      -0.1066439000
_diffrn_orient_matrix_UB_21      -0.0652926000
_diffrn_orient_matrix_UB_22      0.0497769000
_diffrn_orient_matrix_UB_23      0.1197058000
_diffrn_orient_matrix_UB_31      0.1312327000
_diffrn_orient_matrix_UB_32      0.0569162000
_diffrn_orient_matrix_UB_33      -0.0234687000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                887
_reflns_number_total             1119
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.79
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.456
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     134
_refine_ls_number_reflns         1119
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1359
_refine_ls_R_factor_gt           0.1192
_refine_ls_restrained_S_all      1.142
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1426P)²+6.2821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3078
_refine_ls_wR_factor_ref         0.3238
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
 At 1 times of:
  H001 of C00B
 At 1.2 times of:
  H7 of C7, H13 of C13, H16 of C16, H9 of C9, H007 of C007, H008 of C008,
  H009 of C009, H005 of C005
2. Restrained distances
 P001-H001
 1.42 with sigma of 0.02
 N4-C16
 1.506 with sigma of 0.02
 O1-N4
 3.374 with sigma of 0.02
 N4-C14
 1.346 with sigma of 0.02
 P1-N4
 1.789 with sigma of 0.02
 O1-P1
 1.989 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C14 \\sim P1 \\sim N4 \\sim C16 \\sim C11 \\sim C13 \\sim C18 \\sim C15 \\sim
C5 \\sim C9 \\sim C7 \\sim O1: within 2A with sigma of 0.001 and sigma for
terminal atoms of 0.002
4. Others
 Fixed Sof: P001(0.45) N002(0.9) C003(0.45) C004(0.45) C005(0.9) H005(0.9)
 C006(0.9) C007(0.9) H007(0.9) C008(0.9) H008(0.9) C009(0.9) H009(0.9)
 C00A(0.9) H00A(0.9) H00B(0.9) H00C(0.9) C00B(0.9) H00D(0.9) H00E(0.9)
 H00F(0.9) H001(0.45) P1(0.05) N4(0.1) C11(0.05) C5(0.05) C7(0.1) H7(0.1)
 C9(0.1) H9(0.1) C13(0.1) H13(0.1) C14(0.1) C15(0.1) H15B(0.1) H15C(0.1)
 H15A(0.1) C16(0.1) H16(0.1) C18(0.1) H18A(0.1) H18B(0.1) H18C(0.1) O1(0.05)
 H1(0.05)
5.a Ternary CH refined with riding coordinates:
 C005(H005), C16(H16)
5.b Aromatic/amide H refined with riding coordinates:
 C007(H007), C008(H008), C009(H009), C7(H7), C9(H9), C13(H13)
5.c Fitted hexagon refined as free rotating group:
 C11(C5,C7,C9,C13,C14)
5.d Idealised Me refined as rotating group:
 C00A(H00A,H00B,H00C), C00B(H00D,H00E,H00F), C15(H15B,H15C,H15A), C18(H18A,
 H18B,H18C)
5.e Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
P001 P 0.1674(3) 0.2500 0.3225(3) 0.0331(9) Uani 0.9 2 d DS T P A 1
N002 N 0.2127(6) 0.3224(3) 0.4403(7) 0.0345(16) Uani 0.9 1 d . . . A 1
C003 C 0.4149(10) 0.2500 0.5337(10) 0.031(2) Uani 0.9 2 d S T P A 1
C004 C 0.5535(11) 0.2500 0.6043(10) 0.036(2) Uani 0.9 2 d S T P A 1
C005 C 0.1253(8) 0.3918(4) 0.4439(9) 0.043(2) Uani 0.9 1 d . . . A 1
H005 H 0.1573 0.4215 0.5259 0.051 Uiso 0.9 1 calc R . . A 1
C006 C 0.3485(8) 0.3216(4) 0.5068(8) 0.0333(18) Uani 0.9 1 d . . . A 1
C007 C 0.4172(8) 0.3872(4) 0.5474(8) 0.0390(18) Uani 0.9 1 d . . . A 1
H007 H 0.3693 0.4333 0.5293 0.047 Uiso 0.9 1 calc R . . A 1
C008 C 0.6196(9) 0.3192(5) 0.6369(10) 0.053(2) Uani 0.9 1 d . . . A 1
H008 H 0.7174 0.3192 0.6783 0.063 Uiso 0.9 1 calc R . . A 1
C009 C 0.5532(9) 0.3851(5) 0.6130(8) 0.049(2) Uani 0.9 1 d . . . A 1
H009 H 0.6011 0.4296 0.6418 0.059 Uiso 0.9 1 calc R . . A 1
C00A C 0.1517(13) 0.4407(5) 0.3041(10) 0.062(3) Uani 0.9 1 d . . . A 1
H00A H 0.2606 0.4506 0.2923 0.092 Uiso 0.9 1 calc GR . . A 1
H00B H 0.0968 0.4877 0.3120 0.092 Uiso 0.9 1 calc GR . . A 1
H00C H 0.1137 0.4132 0.2242 0.092 Uiso 0.9 1 calc GR . . A 1
C00B C -0.0312(9) 0.3716(6) 0.4583(12) 0.067(3) Uani 0.9 1 d . . . A 1
H00D H -0.0636 0.3435 0.3771 0.101 Uiso 0.9 1 calc GR . . A 1
H00E H -0.0932 0.4164 0.4667 0.101 Uiso 0.9 1 calc GR . . A 1
H00F H -0.0439 0.3411 0.5409 0.101 Uiso 0.9 1 calc GR . . A 1
H001 H 0.17(2) 0.2500 0.174(2) 0.067 Uiso 0.9 2 d DRS T P B 1
P1 P 0.172(3) 0.243(3) 0.428(3) 0.044(4) Uiso 0.05 1 d D U . A -1
N4 N 0.198(5) 0.321(3) 0.546(6) 0.045(4) Uiso 0.1 1 d D U . A -1
C11 C 0.403(6) 0.253(2) 0.647(7) 0.045(4) Uiso 0.05 1 d . U . A -1
C5 C 0.546(6) 0.252(2) 0.716(7) 0.045(4) Uiso 0.05 1 d G U . A -1
C7 C 0.621(5) 0.319(3) 0.747(6) 0.045(4) Uiso 0.1 1 d G U . A -1
H7 H 0.7162 0.3183 0.7929 0.054 Uiso 0.1 1 calc R . . A -1
C9 C 0.553(5) 0.387(2) 0.710(6) 0.045(4) Uiso 0.1 1 d G U . A -1
H9 H 0.6037 0.4326 0.7305 0.054 Uiso 0.1 1 calc R . . A -1
C13 C 0.411(5) 0.388(2) 0.641(6) 0.045(4) Uiso 0.1 1 d G U . A -1
H13 H 0.3659 0.4342 0.6159 0.054 Uiso 0.1 1 calc R . . A -1
C14 C 0.336(5) 0.321(3) 0.610(6) 0.045(4) Uiso 0.1 1 d DG U . A -1
C15 C 0.144(10) 0.440(5) 0.392(9) 0.045(4) Uiso 0.1 1 d . U . A -1
H15B H 0.2423 0.4647 0.3781 0.067 Uiso 0.1 1 calc GR . . A -1
H15C H 0.0620 0.4769 0.3804 0.067 Uiso 0.1 1 calc GR . . A -1
H15A H 0.1313 0.4007 0.3242 0.067 Uiso 0.1 1 calc GR . . A -1
C16 C 0.135(8) 0.399(3) 0.577(8) 0.045(4) Uiso 0.1 1 d D U . A -1
H16 H 0.1701 0.4280 0.6591 0.054 Uiso 0.1 1 calc R . . A -1
C18 C -0.033(9) 0.359(4) 0.575(8) 0.045(4) Uiso 0.1 1 d . U . A -1
H18A H -0.0471 0.3330 0.4871 0.067 Uiso 0.1 1 calc GR . . A -1
H18B H -0.1128 0.3966 0.5852 0.067 Uiso 0.1 1 calc GR . . A -1
H18C H -0.0402 0.3234 0.6508 0.067 Uiso 0.1 1 calc GR . . A -1
O1 O 0.168(11) 0.249(8) 0.219(3) 0.044(4) Uiso 0.05 1 d D U . A -1
H1 H 0.1502 0.2071 0.1861 0.066 Uiso 0.05 1 calc GR . . A -1


_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
P001 N002 1.747(6) 7_565 ?
P001 N002 1.747(6) . ?
P001 H001 1.42(2) . ?
P001 P1 1.01(3) . ?
P001 O1 0.99(3) . ?
N002 C005 1.440(8) . ?
N002 C006 1.329(9) . ?
N002 P1 1.45(5) . ?
N002 N4 1.01(6) . ?
N002 C14 1.93(4) . ?
C003 C004 1.370(14) . ?
C003 C006 1.413(8) 7_565 ?
C003 C006 1.413(8) . ?
C003 P1 2.33(3) . ?
C003 C11 1.08(7) . ?
C003 C14 1.60(5) . ?
C004 C008 1.386(9) . ?
C004 C008 1.386(9) 7_565 ?
C004 C11 1.36(6) . ?
C004 C5 1.06(7) . ?
C004 C7 1.92(5) . ?
C005 H005 0.9800 . ?
C005 C00A 1.604(12) . ?
C005 C00B 1.401(12) . ?
C005 N4 1.70(5) . ?
C005 C15 1.01(8) . ?
C005 C16 1.28(7) . ?
C005 C18 1.94(8) . ?
C006 C007 1.360(10) . ?
C006 P1 2.19(4) . ?
C006 N4 1.35(5) . ?
C006 C11 1.87(6) . ?
C006 C13 1.82(5) . ?
C006 C14 0.98(6) . ?
C007 H007 0.9300 . ?
C007 C009 1.328(11) . ?
C007 C9 1.94(4) . ?
C007 C13 0.89(5) . ?
C007 C14 1.49(5) . ?
C008 H008 0.9300 . ?
C008 C009 1.318(12) . ?
C008 C5 1.55(5) . ?
C008 C7 1.05(5) . ?
C008 C9 1.50(5) . ?
C009 H009 0.9300 . ?
C009 C7 1.83(4) . ?
C009 C9 0.92(5) . ?
C009 C13 1.25(5) . ?
C00A H00A 0.9600 . ?
C00A H00B 0.9600 . ?
C00A H00C 0.9600 . ?
C00A C15 0.84(8) . ?
C00B H00D 0.9600 . ?
C00B H00E 0.9600 . ?
C00B H00F 0.9600 . ?
C00B C15 2.04(9) . ?
C00B C16 1.89(8) . ?
C00B C18 1.13(7) . ?
P1 N4 1.79(2) . ?
P1 O1 1.99(2) . ?
N4 C14 1.34(2) . ?
N4 C16 1.51(2) . ?
C11 C5 1.3900 . ?
C11 C14 1.3900 . ?
C5 C7 1.3900 . ?
C7 H7 0.9300 . ?
C7 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C13 1.3900 . ?
C13 H13 0.9300 . ?
C13 C14 1.3900 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 C16 1.91(10) . ?
C16 H16 0.9800 . ?
C16 C18 1.61(10) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
O1 H1 0.8200 . ?

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
N002 P001 N002 94.5(4) . 7_565 ?
N002 P001 H001 129(3) 7_565 . ?
N002 P001 H001 129(3) . . ?
P1 P001 N002 43(3) . 7_565 ?
P1 P001 N002 56(3) . . ?
P1 P001 H001 172(5) . . ?
O1 P001 N002 131(7) . . ?
O1 P001 N002 129(8) . 7_565 ?
O1 P001 H001 1(10) . . ?
O1 P001 P1 172(10) . . ?
P001 N002 C14 130.4(15) . . ?
C005 N002 P001 121.6(5) . . ?
C005 N002 C14 106.2(16) . . ?
C006 N002 P001 119.5(5) . . ?
C006 N002 C005 117.3(6) . . ?
C006 N002 P1 103.9(14) . . ?
C006 N002 C14 28.2(16) . . ?
P1 N002 P001 35.3(12) . . ?
P1 N002 C005 134.4(13) . . ?
P1 N002 C14 100.9(19) . . ?
N4 N002 P001 126(3) . . ?
N4 N002 C005 86(2) . . ?
N4 N002 C006 69(2) . . ?
N4 N002 P1 92(3) . . ?
N4 N002 C14 41(3) . . ?
C004 C003 C006 116.2(4) . . ?
C004 C003 C006 116.2(4) . 7_565 ?
C004 C003 P1 175.3(12) . . ?
C004 C003 C14 98.5(13) . . ?
C006 C003 C006 127.4(9) 7_565 . ?
C006 C003 P1 60.7(13) 7_565 . ?
C006 C003 P1 66.7(13) . . ?
C006 C003 C14 127.8(17) 7_565 . ?
C006 C003 C14 37(2) . . ?
C11 C003 C004 66(3) . . ?
C11 C003 C006 100(2) . 7_565 ?
C11 C003 C006 96(3) . . ?
C11 C003 P1 111(3) . . ?
C11 C003 C14 59(3) . . ?
C14 C003 P1 81.7(14) . . ?
C003 C004 C008 117.9(5) . . ?
C003 C004 C008 117.9(5) . 7_565 ?
C003 C004 C7 127.7(12) . . ?
C008 C004 C008 124.2(10) . 7_565 ?
C008 C004 C7 106.3(14) 7_565 . ?
C008 C004 C7 32.2(16) . . ?
C11 C004 C003 47(3) . . ?
C11 C004 C008 107.2(18) . . ?
C11 C004 C008 111(2) . 7_565 ?
C11 C004 C7 93(3) . . ?
C5 C004 C003 116(3) . . ?
C5 C004 C008 80(2) . 7_565 ?
C5 C004 C008 77(3) . . ?
C5 C004 C11 69(4) . . ?
C5 C004 C7 45.3(18) . . ?
N002 C005 H005 109.2 . . ?
N002 C005 C00A 111.5(7) . . ?
N002 C005 N4 36.4(16) . . ?
N002 C005 C18 97(2) . . ?
C00A C005 H005 109.2 . . ?
C00A C005 N4 145(2) . . ?
C00A C005 C18 143(2) . . ?
C00B C005 N002 106.7(7) . . ?
C00B C005 H005 109.2 . . ?
C00B C005 C00A 110.8(8) . . ?
C00B C005 N4 96.3(18) . . ?
C00B C005 C18 35(2) . . ?
N4 C005 H005 80.7 . . ?
N4 C005 C18 71(3) . . ?
C15 C005 N002 130(5) . . ?
C15 C005 H005 83.5 . . ?
C15 C005 C00A 27(5) . . ?
C15 C005 C00B 115(5) . . ?
C15 C005 N4 149(5) . . ?
C15 C005 C16 113(5) . . ?
C15 C005 C18 133(5) . . ?
C16 C005 N002 94(2) . . ?
C16 C005 H005 30.5 . . ?
C16 C005 C00A 139(3) . . ?
C16 C005 C00B 89(3) . . ?
C16 C005 N4 59.0(19) . . ?
C16 C005 C18 56(4) . . ?
C18 C005 H005 81.2 . . ?
N002 C006 C003 116.9(6) . . ?
N002 C006 C007 120.5(6) . . ?
N002 C006 P1 40.0(12) . . ?
N002 C006 N4 44(2) . . ?
N002 C006 C11 124.7(14) . . ?
N002 C006 C13 125.9(13) . . ?
C003 C006 P1 77.0(13) . . ?
C003 C006 C11 35.2(19) . . ?
C003 C006 C13 109.6(12) . . ?
C007 C006 C003 122.5(7) . . ?
C007 C006 P1 160.2(13) . . ?
C007 C006 C11 104.2(13) . . ?
C007 C006 C13 28.0(16) . . ?
N4 C006 C003 109(2) . . ?
N4 C006 C007 110.3(17) . . ?
N4 C006 P1 54.8(13) . . ?
N4 C006 C11 92(3) . . ?
N4 C006 C13 95(2) . . ?
C11 C006 P1 90.4(17) . . ?
C13 C006 P1 149.0(18) . . ?
C13 C006 C11 81.4(17) . . ?
C14 C006 N002 112(2) . . ?
C14 C006 C003 82(3) . . ?
C14 C006 C007 77(3) . . ?
C14 C006 P1 105(3) . . ?
C14 C006 N4 68(3) . . ?
C14 C006 C11 47(3) . . ?
C14 C006 C13 49(2) . . ?
C006 C007 H007 120.2 . . ?
C006 C007 C9 119.4(13) . . ?
C006 C007 C14 40(2) . . ?
C009 C007 C006 119.6(8) . . ?
C009 C007 H007 120.2 . . ?
C009 C007 C9 24.7(15) . . ?
C009 C007 C14 101.9(15) . . ?
C9 C007 H007 114.5 . . ?
C13 C007 C006 106(3) . . ?
C13 C007 H007 97.8 . . ?
C13 C007 C009 65(3) . . ?
C13 C007 C9 41(2) . . ?
C13 C007 C14 66(3) . . ?
C14 C007 H007 123.8 . . ?
C14 C007 C9 88.3(19) . . ?
C004 C008 H008 117.8 . . ?
C004 C008 C5 42(2) . . ?
C004 C008 C9 131.1(16) . . ?
C009 C008 C004 124.4(7) . . ?
C009 C008 H008 117.8 . . ?
C009 C008 C5 126.1(19) . . ?
C009 C008 C9 37(2) . . ?
C5 C008 H008 99.5 . . ?
C7 C008 C004 103(3) . . ?
C7 C008 H008 64.3 . . ?
C7 C008 C009 100(3) . . ?
C7 C008 C5 61(3) . . ?
C7 C008 C9 63(2) . . ?
C9 C008 H008 98.5 . . ?
C9 C008 C5 104(3) . . ?
C007 C009 H009 120.4 . . ?
C007 C009 C7 128.9(14) . . ?
C008 C009 C007 119.2(8) . . ?
C008 C009 H009 120.4 . . ?
C008 C009 C7 34.3(17) . . ?
C7 C009 H009 101.3 . . ?
C9 C009 C007 118(3) . . ?
C9 C009 C008 82(3) . . ?
C9 C009 H009 70.5 . . ?
C9 C009 C7 48(2) . . ?
C9 C009 C13 78(3) . . ?
C13 C009 C007 40(2) . . ?
C13 C009 C008 115(2) . . ?
C13 C009 H009 109.3 . . ?
C13 C009 C7 101(2) . . ?
C005 C00A H00A 109.5 . . ?
C005 C00A H00B 109.5 . . ?
C005 C00A H00C 109.5 . . ?
H00A C00A H00B 109.5 . . ?
H00A C00A H00C 109.5 . . ?
H00B C00A H00C 109.5 . . ?
C15 C00A C005 33(6) . . ?
C15 C00A H00A 101.4 . . ?
C15 C00A H00B 83.4 . . ?
C15 C00A H00C 139.3 . . ?
C005 C00B H00D 109.5 . . ?
C005 C00B H00E 109.5 . . ?
C005 C00B H00F 109.5 . . ?
C005 C00B C15 27(2) . . ?
C005 C00B C16 43(2) . . ?
H00D C00B H00E 109.5 . . ?
H00D C00B H00F 109.5 . . ?
H00E C00B H00F 109.5 . . ?
C15 C00B H00D 106.0 . . ?
C15 C00B H00E 86.7 . . ?
C15 C00B H00F 132.4 . . ?
C16 C00B H00D 146.8 . . ?
C16 C00B H00E 99.1 . . ?
C16 C00B H00F 75.0 . . ?
C16 C00B C15 58(3) . . ?
C18 C00B C005 99(4) . . ?
C18 C00B H00D 132.9 . . ?
C18 C00B H00E 94.1 . . ?
C18 C00B H00F 23.8 . . ?
C18 C00B C15 116(5) . . ?
C18 C00B C16 58(4) . . ?
P001 P1 N002 88(3) . . ?
P001 P1 C003 117(2) . . ?
P001 P1 C006 107(3) . . ?
P001 P1 N4 122(4) . . ?
P001 P1 O1 4(5) . . ?
N002 P1 C003 72.3(12) . . ?
N002 P1 C006 36.1(8) . . ?
N002 P1 N4 34(2) . . ?
N002 P1 O1 92(3) . . ?
C006 P1 C003 36.3(5) . . ?
N4 P1 C003 64.9(16) . . ?
N4 P1 C006 38.0(18) . . ?
N4 P1 O1 126(2) . . ?
O1 P1 C003 116(3) . . ?
O1 P1 C006 109(3) . . ?
N002 N4 C005 58(3) . . ?
N002 N4 C006 67(3) . . ?
N002 N4 P1 54(3) . . ?
N002 N4 C14 110(5) . . ?
N002 N4 C16 103(5) . . ?
C006 N4 C005 101(4) . . ?
C006 N4 P1 87(3) . . ?
C006 N4 C16 113(4) . . ?
P1 N4 C005 99(3) . . ?
C14 N4 C005 126(4) . . ?
C14 N4 C006 43(3) . . ?
C14 N4 P1 113(3) . . ?
C14 N4 C16 103(4) . . ?
C16 N4 C005 46(3) . . ?
C16 N4 P1 141(4) . . ?
C003 C11 C004 67(4) . . ?
C003 C11 C006 49(2) . . ?
C003 C11 C5 113(4) . . ?
C003 C11 C14 80(3) . . ?
C004 C11 C006 93(3) . . ?
C004 C11 C5 45(3) . . ?
C004 C11 C14 110(3) . . ?
C5 C11 C006 124.5(19) . . ?
C5 C11 C14 120.0 . . ?
C14 C11 C006 31(2) . . ?
C004 C5 C008 61(3) . . ?
C004 C5 C11 66(3) . . ?
C004 C5 C7 102(3) . . ?
C11 C5 C008 97.2(17) . . ?
C11 C5 C7 120.0 . . ?
C7 C5 C008 41.3(19) . . ?
C004 C7 H7 126.3 . . ?
C008 C7 C004 44.9(19) . . ?
C008 C7 C009 45.3(18) . . ?
C008 C7 C5 78(3) . . ?
C008 C7 H7 118.6 . . ?
C008 C7 C9 75(3) . . ?
C009 C7 C004 79.5(17) . . ?
C009 C7 H7 128.2 . . ?
C5 C7 C004 33(2) . . ?
C5 C7 C009 104.7(15) . . ?
C5 C7 H7 120.0 . . ?
C9 C7 C004 104.4(16) . . ?
C9 C7 C009 29.4(18) . . ?
C9 C7 C5 120.0 . . ?
C9 C7 H7 120.0 . . ?
C007 C9 H9 117.0 . . ?
C008 C9 C007 82(2) . . ?
C008 C9 H9 127.7 . . ?
C009 C9 C007 37.2(18) . . ?
C009 C9 C008 60(3) . . ?
C009 C9 C7 103(3) . . ?
C009 C9 H9 104.7 . . ?
C009 C9 C13 62(3) . . ?
C7 C9 C007 117.0(17) . . ?
C7 C9 C008 42(2) . . ?
C7 C9 H9 120.0 . . ?
C7 C9 C13 120.0 . . ?
C13 C9 C007 25(2) . . ?
C13 C9 C008 97.4(17) . . ?
C13 C9 H9 120.0 . . ?
C006 C13 H13 105.3 . . ?
C007 C13 C006 46(2) . . ?
C007 C13 C009 74(4) . . ?
C007 C13 C9 115(4) . . ?
C007 C13 H13 78.0 . . ?
C007 C13 C14 78(4) . . ?
C009 C13 C006 96(3) . . ?
C009 C13 C9 40(2) . . ?
C009 C13 H13 113.3 . . ?
C009 C13 C14 112(2) . . ?
C9 C13 C006 125.6(19) . . ?
C9 C13 H13 120.0 . . ?
C14 C13 C006 32(2) . . ?
C14 C13 C9 120.0 . . ?
C14 C13 H13 120.0 . . ?
C003 C14 N002 82(2) . . ?
C006 C14 N002 39.7(14) . . ?
C006 C14 C003 61(3) . . ?
C006 C14 C007 63(3) . . ?
C006 C14 N4 69(4) . . ?
C006 C14 C11 103(4) . . ?
C006 C14 C13 99(4) . . ?
C007 C14 N002 85(3) . . ?
C007 C14 C003 104(3) . . ?
N4 C14 N002 30(3) . . ?
N4 C14 C003 100(3) . . ?
N4 C14 C007 104(4) . . ?
N4 C14 C11 119(4) . . ?
N4 C14 C13 121(4) . . ?
C11 C14 N002 117(3) . . ?
C11 C14 C003 42(3) . . ?
C11 C14 C007 126(2) . . ?
C13 C14 N002 115(3) . . ?
C13 C14 C003 125(2) . . ?
C13 C14 C007 36(2) . . ?
C13 C14 C11 120.0 . . ?
C005 C15 C00B 39(3) . . ?
C005 C15 H15B 126.0 . . ?
C005 C15 H15C 121.1 . . ?
C005 C15 H15A 71.6 . . ?
C005 C15 C16 38(4) . . ?
C00A C15 C005 120(9) . . ?
C00A C15 C00B 112(7) . . ?
C00A C15 H15B 77.8 . . ?
C00A C15 H15C 86.7 . . ?
C00A C15 H15A 49.0 . . ?
C00A C15 C16 158(9) . . ?
C00B C15 H15B 164.3 . . ?
C00B C15 H15C 84.0 . . ?
C00B C15 H15A 71.8 . . ?
H15B C15 H15C 109.5 . . ?
H15B C15 H15A 109.5 . . ?
H15C C15 H15A 109.5 . . ?
C16 C15 C00B 57(3) . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C005 C16 C00B 48(3) . . ?
C005 C16 N4 75(4) . . ?
C005 C16 C15 29(3) . . ?
C005 C16 H16 149.5 . . ?
C005 C16 C18 83(5) . . ?
C00B C16 C15 65(4) . . ?
C00B C16 H16 147.9 . . ?
N4 C16 C00B 85(3) . . ?
N4 C16 C15 99(5) . . ?
N4 C16 H16 121.4 . . ?
N4 C16 C18 85(4) . . ?
C15 C16 H16 121.4 . . ?
C18 C16 C00B 37(3) . . ?
C18 C16 C15 101(5) . . ?
C18 C16 H16 121.4 . . ?
C005 C18 H18A 70.8 . . ?
C005 C18 H18B 111.2 . . ?
C005 C18 H18C 136.3 . . ?
C00B C18 C005 46(3) . . ?
C00B C18 C16 85(5) . . ?
C00B C18 H18A 40.9 . . ?
C00B C18 H18B 88.6 . . ?
C00B C18 H18C 150.3 . . ?
C16 C18 C005 41(3) . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P001 O1 P1 4(5) . . ?
P001 O1 H1 113.1 . . ?
P1 O1 H1 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P001 N002 C005 C00A -68.1(8) . . . . ?
P001 N002 C005 C00B 53.0(10) . . . . ?
P001 N002 C005 N4 131(3) . . . . ?
P001 N002 C005 C15 -91(6) . . . . ?
P001 N002 C005 C16 144(3) . . . . ?
P001 N002 C005 C18 88(2) . . . . ?
P001 N002 C006 C003 -29.6(9) . . . . ?
P001 N002 C006 C007 151.1(6) . . . . ?
P001 N002 C006 P1 -34.3(12) . . . . ?
P001 N002 C006 N4 -120(3) . . . . ?
P001 N002 C006 C11 -70(2) . . . . ?
P001 N002 C006 C13 -176(2) . . . . ?
P001 N002 C006 C14 -121(3) . . . . ?
P001 N002 P1 C003 119(2) . . . . ?
P001 N002 P1 C006 122.0(17) . . . . ?
P001 N002 P1 N4 -169(3) . . . . ?
P001 N002 P1 O1 2(3) . . . . ?
P001 N002 N4 C005 -126.8(16) . . . . ?
P001 N002 N4 C006 111.9(17) . . . . ?
P001 N002 N4 P1 7.6(19) . . . . ?
P001 N002 N4 C14 113(4) . . . . ?
P001 N002 N4 C16 -138(3) . . . . ?
P001 P1 N4 N002 -13(3) . . . . ?
P001 P1 N4 C005 25(4) . . . . ?
P001 P1 N4 C006 -76(3) . . . . ?
P001 P1 N4 C14 -111(5) . . . . ?
P001 P1 N4 C16 49(9) . . . . ?
N002 P001 N002 C005 -143.9(5) 7_565 . . . ?
N002 P001 N002 C006 50.8(7) 7_565 . . . ?
N002 P001 N002 P1 -20(2) 7_565 . . . ?
N002 P001 N002 N4 -34(3) 7_565 . . . ?
N002 P001 N002 C14 19(2) 7_565 . . . ?
N002 P001 P1 N002 149(3) 7_565 . . . ?
N002 P001 P1 C003 80(3) 7_565 . . . ?
N002 P001 P1 C003 -69(2) . . . . ?
N002 P001 P1 C006 118(3) 7_565 . . . ?
N002 P001 P1 C006 -31.5(11) . . . . ?
N002 P001 P1 N4 7(2) . . . . ?
N002 P001 P1 N4 156(4) 7_565 . . . ?
N002 P001 P1 O1 -147(41) . . . . ?
N002 P001 P1 O1 2(42) 7_565 . . . ?
N002 P001 O1 P1 144(43) . . . . ?
N002 P001 O1 P1 -2(37) 7_565 . . . ?
N002 C005 C00A C15 -137(11) . . . . ?
N002 C005 C00B C15 -150(5) . . . . ?
N002 C005 C00B C16 94(2) . . . . ?
N002 C005 C00B C18 79(4) . . . . ?
N002 C005 N4 C006 53(2) . . . . ?
N002 C005 N4 P1 -35.9(16) . . . . ?
N002 C005 N4 C14 92(6) . . . . ?
N002 C005 N4 C16 165(5) . . . . ?
N002 C005 C15 C00A 55(12) . . . . ?
N002 C005 C15 C00B 142(6) . . . . ?
N002 C005 C15 C16 -117(6) . . . . ?
N002 C005 C16 C00B -106.8(7) . . . . ?
N002 C005 C16 N4 -9(3) . . . . ?
N002 C005 C16 C15 137(6) . . . . ?
N002 C005 C16 C18 -96(3) . . . . ?
N002 C006 C007 C009 -179.7(7) . . . . ?
N002 C006 C007 C9 151.8(19) . . . . ?
N002 C006 C007 C13 110(3) . . . . ?
N002 C006 C007 C14 108(3) . . . . ?
N002 C006 N4 C005 -47(2) . . . . ?
N002 C006 N4 P1 52(2) . . . . ?
N002 C006 N4 C14 -179(4) . . . . ?
N002 C006 N4 C16 -94(5) . . . . ?
N002 C006 C11 C003 88(3) . . . . ?
N002 C006 C11 C004 144.5(13) . . . . ?
N002 C006 C11 C5 180(2) . . . . ?
N002 C006 C11 C14 -89(3) . . . . ?
N002 C006 C13 C007 -89(3) . . . . ?
N002 C006 C13 C009 -149.5(14) . . . . ?
N002 C006 C13 C9 -180(2) . . . . ?
N002 C006 C13 C14 89(3) . . . . ?
N002 C006 C14 C003 115.7(13) . . . . ?
N002 C006 C14 C007 -118.0(12) . . . . ?
N002 C006 C14 N4 1(3) . . . . ?
N002 C006 C14 C11 117.5(13) . . . . ?
N002 C006 C14 C13 -118.9(14) . . . . ?
N002 P1 N4 C005 37.7(18) . . . . ?
N002 P1 N4 C006 -63(3) . . . . ?
N002 P1 N4 C14 -98(6) . . . . ?
N002 P1 N4 C16 62(7) . . . . ?
N002 N4 C14 C003 -54(5) . . . . ?
N002 N4 C14 C006 -1(4) . . . . ?
N002 N4 C14 C007 53(5) . . . . ?
N002 N4 C14 C11 -94(5) . . . . ?
N002 N4 C14 C13 87(5) . . . . ?
N002 N4 C16 C005 13(4) . . . . ?
N002 N4 C16 C00B 61(4) . . . . ?
N002 N4 C16 C15 -3(5) . . . . ?
N002 N4 C16 C18 98(5) . . . . ?
C003 C004 C008 C009 4.8(15) . . . . ?
C003 C004 C008 C5 113(3) . . . . ?
C003 C004 C008 C7 117(2) . . . . ?
C003 C004 C008 C9 52(3) . . . . ?
C003 C004 C11 C006 -42.5(16) . . . . ?
C003 C004 C11 C5 179.1(19) . . . . ?
C003 C004 C11 C14 -69(3) . . . . ?
C003 C004 C5 C008 -115.1(12) . . . . ?
C003 C004 C5 C11 -0.8(15) . . . . ?
C003 C004 C5 C7 -118(2) . . . . ?
C003 C006 C007 C009 1.1(12) . . . . ?
C003 C006 C007 C9 -27(2) . . . . ?
C003 C006 C007 C13 -69(3) . . . . ?
C003 C006 C007 C14 -71(3) . . . . ?
C003 C006 N4 N002 -109(2) . . . . ?
C003 C006 N4 C005 -156.3(12) . . . . ?
C003 C006 N4 P1 -57(3) . . . . ?
C003 C006 N4 C14 72(3) . . . . ?
C003 C006 N4 C16 157(4) . . . . ?
C003 C006 C11 C004 56(3) . . . . ?
C003 C006 C11 C5 91(4) . . . . ?
C003 C006 C11 C14 -177(3) . . . . ?
C003 C006 C13 C007 123(2) . . . . ?
C003 C006 C13 C009 62(3) . . . . ?
C003 C006 C13 C9 32(3) . . . . ?
C003 C006 C13 C14 -59(3) . . . . ?
C003 C006 C14 N002 -115.7(13) . . . . ?
C003 C006 C14 C007 126.3(9) . . . . ?
C003 C006 C14 N4 -115(3) . . . . ?
C003 C006 C14 C11 1.8(16) . . . . ?
C003 C006 C14 C13 125.3(18) . . . . ?
C003 P1 N4 N002 95(2) . . . . ?
C003 P1 N4 C005 133(3) . . . . ?
C003 P1 N4 C006 32.1(15) . . . . ?
C003 P1 N4 C14 -3(4) . . . . ?
C003 P1 N4 C16 157(9) . . . . ?
C003 C11 C5 C004 0.9(19) . . . . ?
C003 C11 C5 C008 54(3) . . . . ?
C003 C11 C5 C7 91(3) . . . . ?
C003 C11 C14 N002 37(3) . . . . ?
C003 C11 C14 C006 -2(2) . . . . ?
C003 C11 C14 C007 -68(4) . . . . ?
C003 C11 C14 N4 71(5) . . . . ?
C003 C11 C14 C13 -110(4) . . . . ?
C004 C003 C006 N002 -179.0(8) . . . . ?
C004 C003 C006 C007 0.3(12) . . . . ?
C004 C003 C006 P1 -175.9(11) . . . . ?
C004 C003 C006 N4 -131(2) . . . . ?
C004 C003 C006 C11 -66(2) . . . . ?
C004 C003 C006 C13 -28(2) . . . . ?
C004 C003 C006 C14 -68(2) . . . . ?
C004 C003 C11 C006 116.0(11) . . . . ?
C004 C003 C11 C5 -0.7(15) . . . . ?
C004 C003 C11 C14 117.6(12) . . . . ?
C004 C003 C14 N002 158.0(12) . . . . ?
C004 C003 C14 C006 122.5(17) . . . . ?
C004 C003 C14 C007 75(2) . . . . ?
C004 C003 C14 N4 -178(4) . . . . ?
C004 C003 C14 C11 -55(2) . . . . ?
C004 C003 C14 C13 43(3) . . . . ?
C004 C008 C009 C007 -3.5(14) . . . . ?
C004 C008 C009 C7 114(3) . . . . ?
C004 C008 C009 C9 115(3) . . . . ?
C004 C008 C009 C13 42(3) . . . . ?
C004 C008 C5 C11 -57(3) . . . . ?
C004 C008 C5 C7 175(2) . . . . ?
C004 C008 C7 C009 -129.2(12) . . . . ?
C004 C008 C7 C5 -3.5(16) . . . . ?
C004 C008 C7 C9 -129.7(16) . . . . ?
C004 C008 C9 C007 -63(3) . . . . ?
C004 C008 C9 C009 -95(3) . . . . ?
C004 C008 C9 C7 84(3) . . . . ?
C004 C008 C9 C13 -44(3) . . . . ?
C004 C11 C5 C008 53(2) . . . . ?
C004 C11 C5 C7 90(3) . . . . ?
C004 C11 C14 N002 98(4) . . . . ?
C004 C11 C14 C003 61(4) . . . . ?
C004 C11 C14 C006 58(4) . . . . ?
C004 C11 C14 C007 -7(4) . . . . ?
C004 C11 C14 N4 132(6) . . . . ?
C004 C11 C14 C13 -50(2) . . . . ?
C004 C5 C7 C008 5(2) . . . . ?
C004 C5 C7 C009 41(3) . . . . ?
C004 C5 C7 C9 69(3) . . . . ?
C004 C7 C9 C007 3(3) . . . . ?
C004 C7 C9 C008 -34.1(15) . . . . ?
C004 C7 C9 C009 -33(3) . . . . ?
C004 C7 C9 C13 31(2) . . . . ?
C005 N002 C006 C003 164.5(7) . . . . ?
C005 N002 C006 C007 -14.8(11) . . . . ?
C005 N002 C006 P1 159.8(15) . . . . ?
C005 N002 C006 N4 74(3) . . . . ?
C005 N002 C006 C11 124(2) . . . . ?
C005 N002 C006 C13 18(2) . . . . ?
C005 N002 C006 C14 73(3) . . . . ?
C005 N002 P1 P001 83(2) . . . . ?
C005 N002 P1 C003 -157.3(12) . . . . ?
C005 N002 P1 C006 -154.6(18) . . . . ?
C005 N002 P1 N4 -86(3) . . . . ?
C005 N002 P1 O1 86(3) . . . . ?
C005 N002 N4 C006 -121.3(12) . . . . ?
C005 N002 N4 P1 134.4(14) . . . . ?
C005 N002 N4 C14 -121(4) . . . . ?
C005 N002 N4 C16 -11(4) . . . . ?
C005 C00A C15 C00B -42(6) . . . . ?
C005 C00A C15 C16 13(14) . . . . ?
C005 C00B C16 N4 -74(4) . . . . ?
C005 C00B C16 C15 29(3) . . . . ?
C005 C00B C16 C18 -162(5) . . . . ?
C005 C00B C18 C16 12(3) . . . . ?
C005 N4 C14 N002 -64(5) . . . . ?
C005 N4 C14 C003 -118(4) . . . . ?
C005 N4 C14 C006 -64(5) . . . . ?
C005 N4 C14 C007 -11(6) . . . . ?
C005 N4 C14 C11 -158(3) . . . . ?
C005 N4 C14 C13 24(7) . . . . ?
C005 N4 C16 C00B 48(2) . . . . ?
C005 N4 C16 C15 -16(3) . . . . ?
C005 N4 C16 C18 84(5) . . . . ?
C005 C16 C18 C00B -13(4) . . . . ?
C006 N002 C005 C00A 97.5(8) . . . . ?
C006 N002 C005 C00B -141.4(8) . . . . ?
C006 N002 C005 N4 -64(3) . . . . ?
C006 N002 C005 C15 74(6) . . . . ?
C006 N002 C005 C16 -51(3) . . . . ?
C006 N002 C005 C18 -107(2) . . . . ?
C006 N002 P1 P001 -122.0(17) . . . . ?
C006 N002 P1 C003 -2.6(8) . . . . ?
C006 N002 P1 N4 69(2) . . . . ?
C006 N002 P1 O1 -120(3) . . . . ?
C006 N002 N4 C005 121.3(12) . . . . ?
C006 N002 N4 P1 -104.3(15) . . . . ?
C006 N002 N4 C14 1(3) . . . . ?
C006 N002 N4 C16 110(4) . . . . ?
C006 C003 C004 C008 -3.1(13) . . . . ?
C006 C003 C004 C008 3.1(13) 7_565 . . 7_565 ?
C006 C003 C004 C008 -177.8(8) 7_565 . . . ?
C006 C003 C004 C008 177.8(8) . . . 7_565 ?
C006 C003 C004 C11 -90(2) 7_565 . . . ?
C006 C003 C004 C11 85(2) . . . . ?
C006 C003 C004 C5 -89(2) 7_565 . . . ?
C006 C003 C004 C5 86(2) . . . . ?
C006 C003 C004 C7 34(2) . . . . ?
C006 C003 C004 C7 -141(2) 7_565 . . . ?
C006 C003 C006 N002 -4.8(15) 7_565 . . . ?
C006 C003 C006 C007 174.5(6) 7_565 . . . ?
C006 C003 C006 P1 -1.8(12) 7_565 . . . ?
C006 C003 C006 N4 43(2) 7_565 . . . ?
C006 C003 C006 C11 108(3) 7_565 . . . ?
C006 C003 C006 C13 147(2) 7_565 . . . ?
C006 C003 C006 C14 106(2) 7_565 . . . ?
C006 C003 C11 C004 -116.0(11) . . . . ?
C006 C003 C11 C004 114.2(9) 7_565 . . . ?
C006 C003 C11 C006 -129.8(12) 7_565 . . . ?
C006 C003 C11 C5 113.5(18) 7_565 . . . ?
C006 C003 C11 C5 -117(2) . . . . ?
C006 C003 C11 C14 1.6(15) . . . . ?
C006 C003 C11 C14 -128.2(12) 7_565 . . . ?
C006 C003 C14 N002 -69(3) 7_565 . . . ?
C006 C003 C14 N002 35.5(11) . . . . ?
C006 C003 C14 C006 -104(3) 7_565 . . . ?
C006 C003 C14 C007 -48(2) . . . . ?
C006 C003 C14 C007 -152.1(12) 7_565 . . . ?
C006 C003 C14 N4 -45(5) 7_565 . . . ?
C006 C003 C14 N4 59(4) . . . . ?
C006 C003 C14 C11 -177(2) . . . . ?
C006 C003 C14 C11 78(3) 7_565 . . . ?
C006 C003 C14 C13 -80(4) . . . . ?
C006 C003 C14 C13 176(2) 7_565 . . . ?
C006 C007 C009 C008 0.4(12) . . . . ?
C006 C007 C009 C7 -40(2) . . . . ?
C006 C007 C009 C9 -97(3) . . . . ?
C006 C007 C009 C13 -95(3) . . . . ?
C006 C007 C13 C009 115.6(15) . . . . ?
C006 C007 C13 C9 117(3) . . . . ?
C006 C007 C13 C14 -1.1(17) . . . . ?
C006 C007 C14 N002 -34.4(11) . . . . ?
C006 C007 C14 C003 46(2) . . . . ?
C006 C007 C14 N4 -58(3) . . . . ?
C006 C007 C14 C11 86(4) . . . . ?
C006 C007 C14 C13 178(2) . . . . ?
C006 P1 N4 N002 63(3) . . . . ?
C006 P1 N4 C005 101(4) . . . . ?
C006 P1 N4 C14 -35(4) . . . . ?
C006 P1 N4 C16 125(10) . . . . ?
C006 N4 C14 N002 1(4) . . . . ?
C006 N4 C14 C003 -53(3) . . . . ?
C006 N4 C14 C007 54(3) . . . . ?
C006 N4 C14 C11 -93(4) . . . . ?
C006 N4 C14 C13 88(4) . . . . ?
C006 N4 C16 C005 83(5) . . . . ?
C006 N4 C16 C00B 131(4) . . . . ?
C006 N4 C16 C15 67(5) . . . . ?
C006 N4 C16 C18 167(5) . . . . ?
C006 C11 C5 C004 -54(3) . . . . ?
C006 C11 C5 C008 0(3) . . . . ?
C006 C11 C5 C7 36(3) . . . . ?
C006 C11 C14 N002 39.5(18) . . . . ?
C006 C11 C14 C003 2(2) . . . . ?
C006 C11 C14 C007 -65(4) . . . . ?
C006 C11 C14 N4 73(5) . . . . ?
C006 C11 C14 C13 -108(4) . . . . ?
C006 C13 C14 N002 -38.0(19) . . . . ?
C006 C13 C14 C003 60(4) . . . . ?
C006 C13 C14 C007 -2(2) . . . . ?
C006 C13 C14 N4 -71(5) . . . . ?
C006 C13 C14 C11 110(4) . . . . ?
C007 C006 N4 N002 113.4(17) . . . . ?
C007 C006 N4 C005 66(2) . . . . ?
C007 C006 N4 P1 165.1(16) . . . . ?
C007 C006 N4 C14 -66(4) . . . . ?
C007 C006 N4 C16 19(5) . . . . ?
C007 C006 C11 C003 -127.2(17) . . . . ?
C007 C006 C11 C004 -71(2) . . . . ?
C007 C006 C11 C5 -36(3) . . . . ?
C007 C006 C11 C14 56(3) . . . . ?
C007 C006 C13 C009 -61(3) . . . . ?
C007 C006 C13 C9 -91(4) . . . . ?
C007 C006 C13 C14 178(3) . . . . ?
C007 C006 C14 N002 118.0(12) . . . . ?
C007 C006 C14 C003 -126.3(9) . . . . ?
C007 C006 C14 N4 119(3) . . . . ?
C007 C006 C14 C11 -124.6(17) . . . . ?
C007 C006 C14 C13 -1.0(15) . . . . ?
C007 C009 C7 C004 52(2) . . . . ?
C007 C009 C7 C008 86(3) . . . . ?
C007 C009 C7 C5 31(3) . . . . ?
C007 C009 C7 C9 -95(3) . . . . ?
C007 C009 C9 C008 119.1(16) . . . . ?
C007 C009 C9 C7 118(3) . . . . ?
C007 C009 C9 C13 1.0(16) . . . . ?
C007 C009 C13 C006 40.6(18) . . . . ?
C007 C009 C13 C9 -179(2) . . . . ?
C007 C009 C13 C14 70(3) . . . . ?
C007 C9 C13 C006 52(3) . . . . ?
C007 C9 C13 C009 1(2) . . . . ?
C007 C9 C13 C14 90(4) . . . . ?
C007 C13 C14 N002 -37(3) . . . . ?
C007 C13 C14 C003 62(4) . . . . ?
C007 C13 C14 C006 2(2) . . . . ?
C007 C13 C14 N4 -70(5) . . . . ?
C007 C13 C14 C11 112(4) . . . . ?
C008 C004 C008 C009 -176.1(6) 7_565 . . . ?
C008 C004 C008 C5 -68(3) 7_565 . . . ?
C008 C004 C008 C7 -64(3) 7_565 . . . ?
C008 C004 C008 C9 -129(3) 7_565 . . . ?
C008 C004 C11 C003 112.4(16) . . . . ?
C008 C004 C11 C003 -109.3(19) 7_565 . . . ?
C008 C004 C11 C006 -151.8(11) 7_565 . . . ?
C008 C004 C11 C006 70(2) . . . . ?
C008 C004 C11 C5 -69(2) . . . . ?
C008 C004 C11 C5 69.8(19) 7_565 . . . ?
C008 C004 C11 C14 44(3) . . . . ?
C008 C004 C11 C14 -177.8(19) 7_565 . . . ?
C008 C004 C5 C008 128.7(13) 7_565 . . . ?
C008 C004 C5 C11 -117.0(17) 7_565 . . . ?
C008 C004 C5 C11 114.3(13) . . . . ?
C008 C004 C5 C7 -3.4(15) . . . . ?
C008 C004 C5 C7 125(2) 7_565 . . . ?
C008 C009 C7 C004 -33.8(14) . . . . ?
C008 C009 C7 C5 -55(3) . . . . ?
C008 C009 C7 C9 179(3) . . . . ?
C008 C009 C9 C007 -119.1(16) . . . . ?
C008 C009 C9 C7 -0.6(17) . . . . ?
C008 C009 C9 C13 -118.1(16) . . . . ?
C008 C009 C13 C006 -65(2) . . . . ?
C008 C009 C13 C007 -106(2) . . . . ?
C008 C009 C13 C9 75(3) . . . . ?
C008 C009 C13 C14 -36(3) . . . . ?
C008 C5 C7 C004 -5(2) . . . . ?
C008 C5 C7 C009 36.6(15) . . . . ?
C008 C5 C7 C9 64(2) . . . . ?
C008 C7 C9 C007 37(3) . . . . ?
C008 C7 C9 C009 1(2) . . . . ?
C008 C7 C9 C13 65(2) . . . . ?
C008 C9 C13 C006 0(3) . . . . ?
C008 C9 C13 C007 -52(3) . . . . ?
C008 C9 C13 C009 -51(2) . . . . ?
C008 C9 C13 C14 38(2) . . . . ?
C009 C007 C13 C006 -115.6(15) . . . . ?
C009 C007 C13 C9 1.0(16) . . . . ?
C009 C007 C13 C14 -116.8(14) . . . . ?
C009 C007 C14 N002 -156.7(12) . . . . ?
C009 C007 C14 C003 -76(2) . . . . ?
C009 C007 C14 C006 -122.3(18) . . . . ?
C009 C007 C14 N4 -180(3) . . . . ?
C009 C007 C14 C11 -36(3) . . . . ?
C009 C007 C14 C13 56(2) . . . . ?
C009 C008 C5 C004 104(3) . . . . ?
C009 C008 C5 C11 47(3) . . . . ?
C009 C008 C5 C7 -82(3) . . . . ?
C009 C008 C7 C004 129.2(12) . . . . ?
C009 C008 C7 C5 125.7(18) . . . . ?
C009 C008 C7 C9 -0.6(15) . . . . ?
C009 C008 C9 C007 32.2(13) . . . . ?
C009 C008 C9 C7 179(2) . . . . ?
C009 C008 C9 C13 52(3) . . . . ?
C009 C7 C9 C007 36.6(18) . . . . ?
C009 C7 C9 C008 -1(2) . . . . ?
C009 C7 C9 C13 65(3) . . . . ?
C009 C9 C13 C006 51(3) . . . . ?
C009 C9 C13 C007 -1(2) . . . . ?
C009 C9 C13 C14 89(3) . . . . ?
C009 C13 C14 N002 -104(4) . . . . ?
C009 C13 C14 C003 -6(4) . . . . ?
C009 C13 C14 C006 -66(4) . . . . ?
C009 C13 C14 C007 -68(4) . . . . ?
C009 C13 C14 N4 -137(6) . . . . ?
C009 C13 C14 C11 44(2) . . . . ?
C00A C005 C00B C15 -29(5) . . . . ?
C00A C005 C00B C16 -144(2) . . . . ?
C00A C005 C00B C18 -160(4) . . . . ?
C00A C005 N4 N002 -31(4) . . . . ?
C00A C005 N4 C006 22(4) . . . . ?
C00A C005 N4 P1 -67(3) . . . . ?
C00A C005 N4 C14 61(6) . . . . ?
C00A C005 N4 C16 133(4) . . . . ?
C00A C005 C15 C00B 88(10) . . . . ?
C00A C005 C15 C16 -172(8) . . . . ?
C00A C005 C16 C00B 122(4) . . . . ?
C00A C005 C16 N4 -140(3) . . . . ?
C00A C005 C16 C15 6(6) . . . . ?
C00A C005 C16 C18 133(4) . . . . ?
C00B C005 C00A C15 104(11) . . . . ?
C00B C005 N4 N002 110(2) . . . . ?
C00B C005 N4 C006 162.9(18) . . . . ?
C00B C005 N4 P1 74(3) . . . . ?
C00B C005 N4 C14 -158(5) . . . . ?
C00B C005 N4 C16 -86(4) . . . . ?
C00B C005 C15 C00A -88(10) . . . . ?
C00B C005 C15 C16 101(5) . . . . ?
C00B C005 C16 N4 98(3) . . . . ?
C00B C005 C16 C15 -117(5) . . . . ?
C00B C005 C16 C18 11(3) . . . . ?
C00B C16 C18 C005 13(4) . . . . ?
P1 P001 N002 C005 -124(2) . . . . ?
P1 P001 N002 C006 71(2) . . . . ?
P1 P001 N002 N4 -13(3) . . . . ?
P1 P001 N002 C14 39(3) . . . . ?
P1 N002 C005 C00A -110.4(18) . . . . ?
P1 N002 C005 C00B 11(2) . . . . ?
P1 N002 C005 N4 88(3) . . . . ?
P1 N002 C005 C15 -134(6) . . . . ?
P1 N002 C005 C16 101(4) . . . . ?
P1 N002 C005 C18 45(3) . . . . ?
P1 N002 C006 C003 4.7(14) . . . . ?
P1 N002 C006 C007 -174.7(13) . . . . ?
P1 N002 C006 N4 -86(3) . . . . ?
P1 N002 C006 C11 -36(3) . . . . ?
P1 N002 C006 C13 -142(2) . . . . ?
P1 N002 C006 C14 -87(3) . . . . ?
P1 N002 N4 C005 -134.4(14) . . . . ?
P1 N002 N4 C006 104.3(15) . . . . ?
P1 N002 N4 C14 105(4) . . . . ?
P1 N002 N4 C16 -146(4) . . . . ?
P1 C003 C006 N002 -3.1(10) . . . . ?
P1 C003 C006 C007 176.2(11) . . . . ?
P1 C003 C006 N4 45(2) . . . . ?
P1 C003 C006 C11 110(2) . . . . ?
P1 C003 C006 C13 148(2) . . . . ?
P1 C003 C006 C14 108(2) . . . . ?
P1 C003 C11 C004 176.6(13) . . . . ?
P1 C003 C11 C006 -67.4(16) . . . . ?
P1 C003 C11 C5 176(2) . . . . ?
P1 C003 C11 C14 -65.8(17) . . . . ?
P1 C003 C14 N002 -26.8(15) . . . . ?
P1 C003 C14 C006 -62(2) . . . . ?
P1 C003 C14 C007 -110(2) . . . . ?
P1 C003 C14 N4 -3(4) . . . . ?
P1 C003 C14 C11 120(3) . . . . ?
P1 C003 C14 C13 -142(3) . . . . ?
P1 C006 C007 C009 170(3) . . . . ?
P1 C006 C007 C9 142(3) . . . . ?
P1 C006 C007 C13 100(4) . . . . ?
P1 C006 C007 C14 98(4) . . . . ?
P1 C006 N4 N002 -52(2) . . . . ?
P1 C006 N4 C005 -99(3) . . . . ?
P1 C006 N4 C14 129(4) . . . . ?
P1 C006 N4 C16 -146(6) . . . . ?
P1 C006 C11 C003 66(2) . . . . ?
P1 C006 C11 C004 123(2) . . . . ?
P1 C006 C11 C5 158(3) . . . . ?
P1 C006 C11 C14 -111(3) . . . . ?
P1 C006 C13 C007 -140(3) . . . . ?
P1 C006 C13 C009 160(3) . . . . ?
P1 C006 C13 C9 130(4) . . . . ?
P1 C006 C13 C14 38(4) . . . . ?
P1 C006 C14 N002 -41.7(14) . . . . ?
P1 C006 C14 C003 74.1(14) . . . . ?
P1 C006 C14 C007 -159.6(13) . . . . ?
P1 C006 C14 N4 -41(3) . . . . ?
P1 C006 C14 C11 75.8(19) . . . . ?
P1 C006 C14 C13 -160.6(17) . . . . ?
P1 N4 C14 N002 58(4) . . . . ?
P1 N4 C14 C003 4(6) . . . . ?
P1 N4 C14 C006 57(5) . . . . ?
P1 N4 C14 C007 111(4) . . . . ?
P1 N4 C14 C11 -36(7) . . . . ?
P1 N4 C14 C13 145(4) . . . . ?
P1 N4 C16 C005 -34(8) . . . . ?
P1 N4 C16 C00B 14(8) . . . . ?
P1 N4 C16 C15 -50(9) . . . . ?
P1 N4 C16 C18 51(9) . . . . ?
N4 N002 C005 C00A 161(3) . . . . ?
N4 N002 C005 C00B -78(3) . . . . ?
N4 N002 C005 C15 138(7) . . . . ?
N4 N002 C005 C16 13(4) . . . . ?
N4 N002 C005 C18 -43(3) . . . . ?
N4 N002 C006 C003 91(3) . . . . ?
N4 N002 C006 C007 -88(3) . . . . ?
N4 N002 C006 P1 86(3) . . . . ?
N4 N002 C006 C11 51(4) . . . . ?
N4 N002 C006 C13 -55(3) . . . . ?
N4 N002 C006 C14 -1(4) . . . . ?
N4 N002 P1 P001 169(3) . . . . ?
N4 N002 P1 C003 -71(2) . . . . ?
N4 N002 P1 C006 -69(2) . . . . ?
N4 N002 P1 O1 172(4) . . . . ?
N4 C005 C00A C15 -118(11) . . . . ?
N4 C005 C00B C15 174(5) . . . . ?
N4 C005 C00B C16 58.7(19) . . . . ?
N4 C005 C00B C18 43(4) . . . . ?
N4 C005 C15 C00A 104(11) . . . . ?
N4 C005 C15 C00B -168(10) . . . . ?
N4 C005 C15 C16 -68(8) . . . . ?
N4 C005 C16 C00B -98(3) . . . . ?
N4 C005 C16 C15 146(6) . . . . ?
N4 C005 C16 C18 -87(4) . . . . ?
N4 C006 C007 C009 132(3) . . . . ?
N4 C006 C007 C9 104(3) . . . . ?
N4 C006 C007 C13 62(3) . . . . ?
N4 C006 C007 C14 60(3) . . . . ?
N4 C006 C11 C003 121(2) . . . . ?
N4 C006 C11 C004 177(2) . . . . ?
N4 C006 C11 C5 -148(3) . . . . ?
N4 C006 C11 C14 -56(3) . . . . ?
N4 C006 C13 C007 -124(3) . . . . ?
N4 C006 C13 C009 175(3) . . . . ?
N4 C006 C13 C9 145(4) . . . . ?
N4 C006 C13 C14 54(3) . . . . ?
N4 C006 C14 N002 -1(3) . . . . ?
N4 C006 C14 C003 115(3) . . . . ?
N4 C006 C14 C007 -119(3) . . . . ?
N4 C006 C14 C11 117(3) . . . . ?
N4 C006 C14 C13 -120(3) . . . . ?
N4 C16 C18 C005 -75(3) . . . . ?
N4 C16 C18 C00B -89(5) . . . . ?
C11 C003 C004 C008 -88(2) . . . . ?
C11 C003 C004 C008 93(2) . . . 7_565 ?
C11 C003 C004 C5 1(2) . . . . ?
C11 C003 C004 C7 -51(3) . . . . ?
C11 C003 C006 N002 -113(2) . . . . ?
C11 C003 C006 C007 66(2) . . . . ?
C11 C003 C006 P1 -110(2) . . . . ?
C11 C003 C006 N4 -65(3) . . . . ?
C11 C003 C006 C13 39(3) . . . . ?
C11 C003 C006 C14 -2(2) . . . . ?
C11 C003 C14 N002 -147(2) . . . . ?
C11 C003 C14 C006 177(2) . . . . ?
C11 C003 C14 C007 130(2) . . . . ?
C11 C003 C14 N4 -123(5) . . . . ?
C11 C003 C14 C13 98(4) . . . . ?
C11 C004 C008 C009 -45(3) . . . . ?
C11 C004 C008 C5 63(3) . . . . ?
C11 C004 C008 C7 68(3) . . . . ?
C11 C004 C008 C9 2(4) . . . . ?
C11 C004 C5 C008 -114.3(13) . . . . ?
C11 C004 C5 C7 -117.7(13) . . . . ?
C11 C006 C007 C009 34(2) . . . . ?
C11 C006 C007 C9 6(3) . . . . ?
C11 C006 C007 C13 -36(3) . . . . ?
C11 C006 C007 C14 -38.0(19) . . . . ?
C11 C006 N4 N002 -141(3) . . . . ?
C11 C006 N4 C005 172(2) . . . . ?
C11 C006 N4 P1 -89(3) . . . . ?
C11 C006 N4 C14 40(3) . . . . ?
C11 C006 N4 C16 125(4) . . . . ?
C11 C006 C13 C007 144(3) . . . . ?
C11 C006 C13 C009 84(3) . . . . ?
C11 C006 C13 C9 53(3) . . . . ?
C11 C006 C13 C14 -37.7(19) . . . . ?
C11 C006 C14 N002 -117.5(13) . . . . ?
C11 C006 C14 C003 -1.8(16) . . . . ?
C11 C006 C14 C007 124.6(17) . . . . ?
C11 C006 C14 N4 -117(3) . . . . ?
C11 C006 C14 C13 123.6(12) . . . . ?
C11 C5 C7 C004 -69(3) . . . . ?
C11 C5 C7 C008 -64(2) . . . . ?
C11 C5 C7 C009 -27.3(17) . . . . ?
C11 C5 C7 C9 0.0 . . . . ?
C5 C004 C008 C009 -108(3) . . . . ?
C5 C004 C008 C7 5(2) . . . . ?
C5 C004 C008 C9 -61(3) . . . . ?
C5 C004 C11 C003 -179.1(19) . . . . ?
C5 C004 C11 C006 138.4(17) . . . . ?
C5 C004 C11 C14 112(2) . . . . ?
C5 C008 C009 C007 -55(3) . . . . ?
C5 C008 C009 C7 62(3) . . . . ?
C5 C008 C009 C9 63(3) . . . . ?
C5 C008 C009 C13 -10(4) . . . . ?
C5 C008 C7 C004 3.5(16) . . . . ?
C5 C008 C7 C009 -125.7(18) . . . . ?
C5 C008 C7 C9 -126.2(9) . . . . ?
C5 C008 C9 C007 -100(2) . . . . ?
C5 C008 C9 C009 -132(2) . . . . ?
C5 C008 C9 C7 47(2) . . . . ?
C5 C008 C9 C13 -81(2) . . . . ?
C5 C11 C14 N002 148(4) . . . . ?
C5 C11 C14 C003 110(3) . . . . ?
C5 C11 C14 C006 108(4) . . . . ?
C5 C11 C14 C007 43(3) . . . . ?
C5 C11 C14 N4 -179(6) . . . . ?
C5 C11 C14 C13 0.0 . . . . ?
C5 C7 C9 C007 -28(2) . . . . ?
C5 C7 C9 C008 -65(2) . . . . ?
C5 C7 C9 C009 -65(3) . . . . ?
C5 C7 C9 C13 0.0 . . . . ?
C7 C004 C008 C009 -112(2) . . . . ?
C7 C004 C008 C5 -5(2) . . . . ?
C7 C004 C008 C9 -65(3) . . . . ?
C7 C004 C11 C003 141.9(17) . . . . ?
C7 C004 C11 C006 99.4(19) . . . . ?
C7 C004 C11 C5 -39.0(12) . . . . ?
C7 C004 C11 C14 73(3) . . . . ?
C7 C004 C5 C008 3.4(15) . . . . ?
C7 C004 C5 C11 117.7(13) . . . . ?
C7 C008 C009 C007 -117(2) . . . . ?
C7 C008 C009 C9 1(2) . . . . ?
C7 C008 C009 C13 -72(3) . . . . ?
C7 C008 C5 C004 -175(2) . . . . ?
C7 C008 C5 C11 128.4(15) . . . . ?
C7 C008 C9 C007 -147(2) . . . . ?
C7 C008 C9 C009 -179(2) . . . . ?
C7 C008 C9 C13 -127.4(16) . . . . ?
C7 C009 C9 C007 -118(3) . . . . ?
C7 C009 C9 C008 0.6(17) . . . . ?
C7 C009 C9 C13 -117.5(15) . . . . ?
C7 C009 C13 C006 -99(2) . . . . ?
C7 C009 C13 C007 -139(2) . . . . ?
C7 C009 C13 C9 42.2(16) . . . . ?
C7 C009 C13 C14 -69(3) . . . . ?
C7 C9 C13 C006 -38(3) . . . . ?
C7 C9 C13 C007 -90(4) . . . . ?
C7 C9 C13 C009 -89(3) . . . . ?
C7 C9 C13 C14 0.0 . . . . ?
C9 C007 C009 C008 97(3) . . . . ?
C9 C007 C009 C7 57(3) . . . . ?
C9 C007 C009 C13 1(3) . . . . ?
C9 C007 C13 C006 -117(3) . . . . ?
C9 C007 C13 C009 -1.0(16) . . . . ?
C9 C007 C13 C14 -117.7(15) . . . . ?
C9 C007 C14 N002 -177(2) . . . . ?
C9 C007 C14 C003 -97(2) . . . . ?
C9 C007 C14 C006 -143(2) . . . . ?
C9 C007 C14 N4 159(4) . . . . ?
C9 C007 C14 C11 -57(3) . . . . ?
C9 C007 C14 C13 35.3(15) . . . . ?
C9 C008 C009 C007 -118(3) . . . . ?
C9 C008 C009 C7 -1(2) . . . . ?
C9 C008 C009 C13 -73(3) . . . . ?
C9 C008 C5 C004 137(2) . . . . ?
C9 C008 C5 C11 80(2) . . . . ?
C9 C008 C5 C7 -47.9(19) . . . . ?
C9 C008 C7 C004 129.7(16) . . . . ?
C9 C008 C7 C009 0.6(15) . . . . ?
C9 C008 C7 C5 126.2(9) . . . . ?
C9 C009 C7 C004 147(3) . . . . ?
C9 C009 C7 C008 -179(3) . . . . ?
C9 C009 C7 C5 126(2) . . . . ?
C9 C009 C13 C006 -141(2) . . . . ?
C9 C009 C13 C007 179(2) . . . . ?
C9 C009 C13 C14 -111(3) . . . . ?
C9 C13 C14 N002 -148(4) . . . . ?
C9 C13 C14 C003 -50(3) . . . . ?
C9 C13 C14 C006 -110(4) . . . . ?
C9 C13 C14 C007 -112(4) . . . . ?
C9 C13 C14 N4 179(6) . . . . ?
C9 C13 C14 C11 0.0 . . . . ?
C13 C006 C007 C009 71(3) . . . . ?
C13 C006 C007 C9 42(2) . . . . ?
C13 C006 C007 C14 -2(2) . . . . ?
C13 C006 N4 N002 138(2) . . . . ?
C13 C006 N4 C005 91(2) . . . . ?
C13 C006 N4 P1 -170(2) . . . . ?
C13 C006 N4 C14 -41(3) . . . . ?
C13 C006 N4 C16 44(5) . . . . ?
C13 C006 C11 C003 -144(3) . . . . ?
C13 C006 C11 C004 -87(2) . . . . ?
C13 C006 C11 C5 -52(3) . . . . ?
C13 C006 C11 C14 39.4(18) . . . . ?
C13 C006 C14 N002 118.9(14) . . . . ?
C13 C006 C14 C003 -125.3(18) . . . . ?
C13 C006 C14 C007 1.0(15) . . . . ?
C13 C006 C14 N4 120(3) . . . . ?
C13 C006 C14 C11 -123.6(12) . . . . ?
C13 C007 C009 C008 96(3) . . . . ?
C13 C007 C009 C7 56(3) . . . . ?
C13 C007 C009 C9 -1(3) . . . . ?
C13 C007 C14 N002 147(2) . . . . ?
C13 C007 C14 C003 -132(3) . . . . ?
C13 C007 C14 C006 -178(2) . . . . ?
C13 C007 C14 N4 124(4) . . . . ?
C13 C007 C14 C11 -92(4) . . . . ?
C13 C009 C7 C004 85(3) . . . . ?
C13 C009 C7 C008 119(3) . . . . ?
C13 C009 C7 C5 64(3) . . . . ?
C13 C009 C7 C9 -62(3) . . . . ?
C13 C009 C9 C007 -1.0(16) . . . . ?
C13 C009 C9 C008 118.1(16) . . . . ?
C13 C009 C9 C7 117.5(15) . . . . ?
C14 N002 C005 C00A 125.5(18) . . . . ?
C14 N002 C005 C00B -113.3(18) . . . . ?
C14 N002 C005 N4 -36(3) . . . . ?
C14 N002 C005 C15 102(6) . . . . ?
C14 N002 C005 C16 -23(4) . . . . ?
C14 N002 C005 C18 -79(3) . . . . ?
C14 N002 C006 C003 92(3) . . . . ?
C14 N002 C006 C007 -88(3) . . . . ?
C14 N002 C006 P1 87(3) . . . . ?
C14 N002 C006 N4 1(4) . . . . ?
C14 N002 C006 C11 52(3) . . . . ?
C14 N002 C006 C13 -54(3) . . . . ?
C14 N002 P1 P001 -151(2) . . . . ?
C14 N002 P1 C003 -31.4(18) . . . . ?
C14 N002 P1 C006 -28.7(17) . . . . ?
C14 N002 P1 N4 40(3) . . . . ?
C14 N002 P1 O1 -148(3) . . . . ?
C14 N002 N4 C005 121(4) . . . . ?
C14 N002 N4 C006 -1(3) . . . . ?
C14 N002 N4 P1 -105(4) . . . . ?
C14 N002 N4 C16 109(6) . . . . ?
C14 C003 C004 C008 143(2) . . . 7_565 ?
C14 C003 C004 C008 -38(2) . . . . ?
C14 C003 C004 C11 50(2) . . . . ?
C14 C003 C004 C5 51(3) . . . . ?
C14 C003 C004 C7 -1(3) . . . . ?
C14 C003 C006 N002 -111(2) . . . . ?
C14 C003 C006 C007 69(2) . . . . ?
C14 C003 C006 P1 -108(2) . . . . ?
C14 C003 C006 N4 -63(3) . . . . ?
C14 C003 C006 C11 2(2) . . . . ?
C14 C003 C006 C13 40.8(18) . . . . ?
C14 C003 C11 C004 -117.6(12) . . . . ?
C14 C003 C11 C006 -1.6(15) . . . . ?
C14 C003 C11 C5 -118.3(12) . . . . ?
C14 C006 C007 C009 72(3) . . . . ?
C14 C006 C007 C9 44(3) . . . . ?
C14 C006 C007 C13 2(2) . . . . ?
C14 C006 N4 N002 179(4) . . . . ?
C14 C006 N4 C005 132(4) . . . . ?
C14 C006 N4 P1 -129(4) . . . . ?
C14 C006 N4 C16 85(5) . . . . ?
C14 C006 C11 C003 177(3) . . . . ?
C14 C006 C11 C004 -127(3) . . . . ?
C14 C006 C11 C5 -92(4) . . . . ?
C14 C006 C13 C007 -178(3) . . . . ?
C14 C006 C13 C009 121(3) . . . . ?
C14 C006 C13 C9 91(4) . . . . ?
C14 C007 C009 C008 39(2) . . . . ?
C14 C007 C009 C7 -1(3) . . . . ?
C14 C007 C009 C9 -58(3) . . . . ?
C14 C007 C009 C13 -56(3) . . . . ?
C14 C007 C13 C006 1.1(17) . . . . ?
C14 C007 C13 C009 116.8(14) . . . . ?
C14 C007 C13 C9 117.7(15) . . . . ?
C14 N4 C16 C005 127(5) . . . . ?
C14 N4 C16 C00B 175(5) . . . . ?
C14 N4 C16 C15 111(6) . . . . ?
C14 N4 C16 C18 -148(6) . . . . ?
C14 C11 C5 C004 -90(3) . . . . ?
C14 C11 C5 C008 -36.7(17) . . . . ?
C14 C11 C5 C7 0.0 . . . . ?
C15 C005 C00B C16 -115(5) . . . . ?
C15 C005 C00B C18 -131(6) . . . . ?
C15 C005 N4 N002 -81(9) . . . . ?
C15 C005 N4 C006 -28(10) . . . . ?
C15 C005 N4 P1 -117(9) . . . . ?
C15 C005 N4 C14 11(12) . . . . ?
C15 C005 N4 C16 84(10) . . . . ?
C15 C005 C16 C00B 117(5) . . . . ?
C15 C005 C16 N4 -146(6) . . . . ?
C15 C005 C16 C18 128(6) . . . . ?
C15 C00B C16 C005 -29(3) . . . . ?
C15 C00B C16 N4 -102(5) . . . . ?
C15 C00B C16 C18 170(6) . . . . ?
C15 C00B C18 C005 -22(3) . . . . ?
C15 C00B C18 C16 -10(5) . . . . ?
C15 C16 C18 C005 23(3) . . . . ?
C15 C16 C18 C00B 10(5) . . . . ?
C16 C005 C00A C15 -11(12) . . . . ?
C16 C005 C00B C15 115(5) . . . . ?
C16 C005 C00B C18 -16(4) . . . . ?
C16 C005 N4 N002 -165(5) . . . . ?
C16 C005 N4 C006 -112(4) . . . . ?
C16 C005 N4 P1 159(5) . . . . ?
C16 C005 N4 C14 -73(6) . . . . ?
C16 C005 C15 C00A 172(8) . . . . ?
C16 C005 C15 C00B -101(5) . . . . ?
C16 C00B C18 C005 -12(3) . . . . ?
C16 N4 C14 N002 -109(7) . . . . ?
C16 N4 C14 C003 -163(4) . . . . ?
C16 N4 C14 C006 -110(5) . . . . ?
C16 N4 C14 C007 -56(6) . . . . ?
C16 N4 C14 C11 157(4) . . . . ?
C16 N4 C14 C13 -22(7) . . . . ?
C18 C005 C00A C15 84(11) . . . . ?
C18 C005 C00B C15 131(6) . . . . ?
C18 C005 C00B C16 16(4) . . . . ?
C18 C005 N4 N002 134(3) . . . . ?
C18 C005 N4 C006 -172(3) . . . . ?
C18 C005 N4 P1 99(3) . . . . ?
C18 C005 N4 C14 -134(6) . . . . ?
C18 C005 N4 C16 -61(5) . . . . ?
C18 C005 C15 C00A -124(8) . . . . ?
C18 C005 C15 C00B -37(4) . . . . ?
C18 C005 C15 C16 64(6) . . . . ?
C18 C005 C16 C00B -11(3) . . . . ?
C18 C005 C16 N4 87(4) . . . . ?
C18 C005 C16 C15 -128(6) . . . . ?
C18 C00B C16 C005 162(5) . . . . ?
C18 C00B C16 N4 88(6) . . . . ?
C18 C00B C16 C15 -170(6) . . . . ?
O1 P001 N002 C005 62(8) . . . . ?
O1 P001 N002 C006 -103(8) . . . . ?
O1 P001 N002 P1 -174(8) . . . . ?
O1 P001 N002 N4 173(8) . . . . ?
O1 P001 N002 C14 -135(8) . . . . ?
O1 P1 N4 N002 -10(5) . . . . ?
O1 P1 N4 C005 27(5) . . . . ?
O1 P1 N4 C006 -73(4) . . . . ?
O1 P1 N4 C14 -108(6) . . . . ?
O1 P1 N4 C16 51(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.980
_oxdiff_exptl_absorpt_empirical_full_min 0.552
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Hygroscopic,Oxygen-sensitive
