#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:01:45 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185408 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/95/7039513.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7039513
loop_
_publ_author_name
'Zhao, Minggang'
'Wang, Lixia'
'Li, Pangpang'
'Ma, Jianping'
'Zheng, Wenjun'
_publ_section_title
;
 1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii),
 neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray
 structural characterization, and magnetic susceptibility studies.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11172
_journal_page_last               11181
_journal_paper_doi               10.1039/c6dt00696e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C84 H66 K2 N10 P5 Sm'
_chemical_formula_weight         1598.87
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-04-22 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.4551(2)
_cell_length_b                   21.7027(3)
_cell_length_c                   22.1513(3)
_cell_measurement_reflns_used    46725
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.7100
_cell_measurement_theta_min      2.9880
_cell_volume                     8391.42(19)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0251
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            162085
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.88
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 1.0000
_diffrn_standards_interval_time  27.1300
_diffrn_standards_number         183820
_exptl_absorpt_coefficient_mu    0.942
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42094
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3260
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.692
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.025(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     893
_refine_ls_number_reflns         15909
_refine_ls_number_restraints     236
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0750P)²+8.1624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1253
_refine_ls_wR_factor_ref         0.1372
_reflns_number_gt                13539
_reflns_number_total             15909
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt00696e2.cif
_cod_data_source_block           150429-1c
_cod_depositor_comments
'Adding full bibliography for 7039512--7039521.cif.'
_cod_database_code               7039513
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.7524(5) 0.3393(3) 0.5533(3) 0.0651(19) Uani 1 1 d .
H1 H 0.7001 0.3335 0.5478 0.078 Uiso 1 1 calc R
C2 C 0.7865(6) 0.3158(4) 0.6038(4) 0.082(3) Uani 1 1 d .
H2 H 0.7577 0.2944 0.6322 0.098 Uiso 1 1 calc R
C3 C 0.8643(6) 0.3240(5) 0.6121(4) 0.089(3) Uani 1 1 d .
H3 H 0.8876 0.3082 0.6466 0.106 Uiso 1 1 calc R
C4 C 0.9073(5) 0.3549(4) 0.5707(4) 0.081(2) Uani 1 1 d .
H4 H 0.9596 0.3603 0.5768 0.097 Uiso 1 1 calc R
C5 C 0.8715(4) 0.3787(3) 0.5186(3) 0.0631(19) Uani 1 1 d .
H5 H 0.9007 0.3993 0.4898 0.076 Uiso 1 1 calc R
C6 C 0.7938(4) 0.3718(3) 0.5096(3) 0.0515(15) Uani 1 1 d .
C7 C 0.7567(4) 0.3977(3) 0.4561(3) 0.0516(15) Uani 1 1 d .
C8 C 0.6835(4) 0.4432(4) 0.3755(3) 0.0598(17) Uani 1 1 d .
C9 C 0.6291(3) 0.4696(4) 0.3314(3) 0.100(2) Uani 1 1 d GU
C10 C 0.5555(3) 0.4454(3) 0.3277(3) 0.119(2) Uani 1 1 d GU
H10 H 0.5410 0.4131 0.3529 0.143 Uiso 1 1 calc R
C11 C 0.5035(3) 0.4695(4) 0.2865(4) 0.131(2) Uani 1 1 d GU
H11 H 0.4543 0.4534 0.2840 0.157 Uiso 1 1 calc R
C12 C 0.5251(4) 0.5178(4) 0.2489(3) 0.127(2) Uani 1 1 d GU
H12 H 0.4903 0.5339 0.2213 0.152 Uiso 1 1 calc R
C13 C 0.5987(4) 0.5419(3) 0.2526(3) 0.117(2) Uani 1 1 d GU
H13 H 0.6132 0.5742 0.2274 0.140 Uiso 1 1 calc R
C14 C 0.6507(3) 0.5178(3) 0.2938(3) 0.104(2) Uani 1 1 d GU
H14 H 0.6999 0.5340 0.2963 0.125 Uiso 1 1 calc R
C15 C 0.7009(5) 0.4968(4) 0.1189(4) 0.078(2) Uani 1 1 d .
H15 H 0.7002 0.5413 0.1261 0.093 Uiso 1 1 calc R
C16 C 0.6298(5) 0.4761(4) 0.1031(4) 0.084(3) Uani 1 1 d .
H16 H 0.5927 0.5099 0.1053 0.101 Uiso 1 1 calc R
C17 C 0.5999(6) 0.4238(5) 0.1304(5) 0.103(3) Uani 1 1 d .
H17 H 0.5519 0.4092 0.1193 0.123 Uiso 1 1 calc R
C18 C 0.6418(5) 0.3938(4) 0.1740(5) 0.094(3) Uani 1 1 d .
H18 H 0.6213 0.3595 0.1933 0.113 Uiso 1 1 calc R
C19 C 0.7127(4) 0.4141(4) 0.1888(3) 0.0698(19) Uani 1 1 d .
H19 H 0.7412 0.3925 0.2172 0.084 Uiso 1 1 calc R
C20 C 0.7439(4) 0.4669(3) 0.1624(3) 0.0604(18) Uani 1 1 d .
C21 C 0.8221(4) 0.4863(3) 0.1782(3) 0.0533(14) Uani 1 1 d .
C22 C 0.9501(4) 0.5239(3) 0.1931(3) 0.0532(16) Uani 1 1 d .
C23 C 1.0259(2) 0.5531(2) 0.1967(2) 0.0602(18) Uani 1 1 d G
C24 C 1.0616(3) 0.5725(3) 0.14390(18) 0.085(3) Uani 1 1 d G
H24 H 1.0377 0.5666 0.1068 0.102 Uiso 1 1 calc R
C25 C 1.1330(3) 0.6008(3) 0.1465(3) 0.104(3) Uani 1 1 d G
H25 H 1.1568 0.6138 0.1112 0.125 Uiso 1 1 calc R
C26 C 1.1687(3) 0.6097(3) 0.2020(3) 0.103(4) Uani 1 1 d G
H26 H 1.2164 0.6286 0.2037 0.124 Uiso 1 1 calc R
C27 C 1.1330(3) 0.5902(3) 0.2547(2) 0.090(3) Uani 1 1 d G
H27 H 1.1569 0.5962 0.2918 0.107 Uiso 1 1 calc R
C28 C 1.0616(3) 0.5620(3) 0.25209(18) 0.070(2) Uani 1 1 d G
H28 H 1.0378 0.5490 0.2874 0.084 Uiso 1 1 calc R
C29 C 0.9971(6) 0.3691(4) 0.1518(4) 0.0863(18) Uani 1 1 d U
H29 H 0.9940 0.3931 0.1865 0.104 Uiso 1 1 calc R
C30 C 1.0520(7) 0.3831(5) 0.1080(4) 0.100(2) Uani 1 1 d U
H30 H 1.0861 0.4155 0.1136 0.120 Uiso 1 1 calc R
C31 C 1.0546(7) 0.3481(5) 0.0565(5) 0.102(2) Uani 1 1 d U
H31 H 1.0902 0.3576 0.0267 0.122 Uiso 1 1 calc R
C32 C 1.0062(6) 0.2998(5) 0.0482(4) 0.098(2) Uani 1 1 d U
H32 H 1.0093 0.2767 0.0129 0.117 Uiso 1 1 calc R
C33 C 0.9526(6) 0.2846(5) 0.0914(4) 0.0857(18) Uani 1 1 d U
H33 H 0.9201 0.2512 0.0855 0.103 Uiso 1 1 calc R
C34 C 0.9474(5) 0.3199(4) 0.1444(3) 0.0738(17) Uani 1 1 d U
C35 C 0.8896(5) 0.3047(3) 0.1900(3) 0.0590(17) Uani 1 1 d .
C36 C 0.7858(4) 0.2767(3) 0.2541(3) 0.0593(18) Uani 1 1 d .
C37 C 0.7140(3) 0.2568(3) 0.2885(3) 0.093(2) Uani 1 1 d GU
C38 C 0.6955(4) 0.2814(3) 0.3445(3) 0.106(2) Uani 1 1 d GU
H38 H 0.7275 0.3104 0.3624 0.127 Uiso 1 1 calc R
C39 C 0.6290(4) 0.2627(3) 0.3739(3) 0.118(2) Uani 1 1 d GU
H39 H 0.6166 0.2791 0.4114 0.141 Uiso 1 1 calc R
C40 C 0.5811(3) 0.2194(4) 0.3471(4) 0.122(2) Uani 1 1 d GU
H40 H 0.5367 0.2069 0.3668 0.146 Uiso 1 1 calc R
C41 C 0.5997(4) 0.1948(3) 0.2911(4) 0.123(2) Uani 1 1 d GU
H41 H 0.5676 0.1659 0.2732 0.147 Uiso 1 1 calc R
C42 C 0.6661(4) 0.2135(3) 0.2617(3) 0.111(2) Uani 1 1 d GU
H42 H 0.6785 0.1971 0.2242 0.134 Uiso 1 1 calc R
C43 C 0.8722(3) 0.2496(2) 0.4349(3) 0.084(3) Uani 1 1 d G
H43 H 0.8497 0.2776 0.4086 0.100 Uiso 1 1 calc R
C44 C 0.8264(4) 0.2118(3) 0.4706(4) 0.106(3) Uani 1 1 d G
H44 H 0.7734 0.2146 0.4681 0.127 Uiso 1 1 calc R
C45 C 0.8600(6) 0.1699(3) 0.5100(3) 0.138(6) Uani 1 1 d G
H45 H 0.8294 0.1447 0.5338 0.166 Uiso 1 1 calc R
C46 C 0.9393(6) 0.1657(3) 0.5137(3) 0.144(6) Uani 1 1 d G
H46 H 0.9618 0.1377 0.5400 0.173 Uiso 1 1 calc R
C47 C 0.9851(4) 0.2034(3) 0.4780(3) 0.115(4) Uani 1 1 d G
H47 H 1.0382 0.2006 0.4805 0.138 Uiso 1 1 calc R
C48 C 0.9515(3) 0.2454(2) 0.4386(2) 0.075(2) Uani 1 1 d G
C49 C 1.0008(5) 0.2855(3) 0.4024(3) 0.0623(18) Uani 1 1 d .
C50 C 1.0935(4) 0.3471(4) 0.3468(3) 0.0626(19) Uani 1 1 d .
C51 C 1.1571(5) 0.3797(5) 0.3189(5) 0.095(2) Uani 1 1 d U
C52 C 1.1469(5) 0.4131(6) 0.2663(5) 0.102(2) Uani 1 1 d U
H52 H 1.0989 0.4143 0.2482 0.122 Uiso 1 1 calc R
C53 C 1.2080(6) 0.4453(6) 0.2401(6) 0.116(2) Uani 1 1 d U
H53 H 1.2008 0.4663 0.2039 0.139 Uiso 1 1 calc R
C54 C 1.2760(7) 0.4460(7) 0.2667(6) 0.129(2) Uani 1 1 d U
H54 H 1.3143 0.4720 0.2523 0.154 Uiso 1 1 calc R
C55 C 1.2901(7) 0.4088(7) 0.3148(6) 0.134(2) Uani 1 1 d U
H55 H 1.3394 0.4068 0.3306 0.160 Uiso 1 1 calc R
C56 C 1.2289(6) 0.3719(7) 0.3424(5) 0.120(2) Uani 1 1 d U
H56 H 1.2385 0.3447 0.3740 0.143 Uiso 1 1 calc R
C57 C 1.0674(4) 0.4284(4) 0.4858(3) 0.0663(19) Uani 1 1 d .
H57 H 1.0514 0.4060 0.4523 0.080 Uiso 1 1 calc R
C58 C 1.1140(5) 0.3998(4) 0.5294(4) 0.089(3) Uani 1 1 d .
H58 H 1.1302 0.3593 0.5239 0.107 Uiso 1 1 calc R
C59 C 1.1353(5) 0.4316(5) 0.5797(4) 0.093(3) Uani 1 1 d .
H59 H 1.1642 0.4125 0.6096 0.111 Uiso 1 1 calc R
C60 C 1.1139(6) 0.4914(5) 0.5858(4) 0.093(3) Uani 1 1 d .
H60 H 1.1298 0.5134 0.6195 0.112 Uiso 1 1 calc R
C61 C 1.0691(5) 0.5204(4) 0.5430(3) 0.073(2) Uani 1 1 d .
H61 H 1.0549 0.5613 0.5486 0.087 Uiso 1 1 calc R
C62 C 1.0450(4) 0.4891(3) 0.4919(3) 0.0540(16) Uani 1 1 d .
C63 C 0.9968(3) 0.5206(3) 0.4459(3) 0.0473(14) Uani 1 1 d .
C64 C 0.9282(3) 0.5831(3) 0.3751(3) 0.0459(12) Uani 1 1 d .
C65 C 0.8916(4) 0.6280(3) 0.3342(3) 0.0503(13) Uani 1 1 d .
C66 C 0.8375(5) 0.6099(3) 0.2922(3) 0.0643(19) Uani 1 1 d .
H66 H 0.8239 0.5685 0.2896 0.077 Uiso 1 1 calc R
C67 C 0.8031(6) 0.6527(4) 0.2536(4) 0.085(3) Uani 1 1 d .
H67 H 0.7687 0.6394 0.2243 0.102 Uiso 1 1 calc R
C68 C 0.8202(6) 0.7150(4) 0.2591(4) 0.085(3) Uani 1 1 d .
H68 H 0.7955 0.7440 0.2351 0.102 Uiso 1 1 calc R
C69 C 0.8743(6) 0.7334(4) 0.3008(5) 0.094(3) Uani 1 1 d .
H69 H 0.8670 0.7747 0.3178 0.113 Uiso 1 1 calc R
C70 C 0.9088(5) 0.6910(3) 0.3385(3) 0.074(2) Uani 1 1 d .
H70 H 0.9264 0.7061 0.3778 0.089 Uiso 1 1 calc R
C71 C 0.7117(5) 0.6387(4) 0.5359(3) 0.108(4) Uani 1 1 d G
H71 H 0.7177 0.6425 0.5798 0.130 Uiso 1 1 calc R
C72 C 0.6537(5) 0.6019(3) 0.5125(6) 0.131(5) Uani 1 1 d G
H72 H 0.6189 0.5802 0.5400 0.158 Uiso 1 1 calc R
C73 C 0.6384(5) 0.6026(5) 0.4509(6) 0.174(8) Uani 1 1 d G
H73 H 0.5944 0.5797 0.4350 0.209 Uiso 1 1 calc R
C74 C 0.6810(8) 0.6401(6) 0.4128(3) 0.205(12) Uani 1 1 d G
H74 H 0.6691 0.6416 0.3696 0.246 Uiso 1 1 calc R
C75 C 0.7390(7) 0.6770(4) 0.4362(4) 0.148(7) Uani 1 1 d G
H75 H 0.7683 0.7041 0.4094 0.178 Uiso 1 1 calc R
C76 C 0.7543(5) 0.6763(3) 0.4978(5) 0.127(5) Uani 1 1 d G
C77 C 0.8189(10) 0.7142(7) 0.5231(12) 0.233(11) Uani 1 1 d .
H77A H 0.8654 0.7045 0.5021 0.350 Uiso 1 1 calc R
H77B H 0.8250 0.7051 0.5653 0.350 Uiso 1 1 calc R
H77C H 0.8075 0.7572 0.5182 0.350 Uiso 1 1 calc R
C78 C 0.1819(12) 0.4084(7) 0.8973(7) 0.175(7) Uani 0.50 1 d PGDU
H78 H 0.1951 0.3777 0.8699 0.210 Uiso 0.50 1 calc PR
C79 C 0.2386(11) 0.4382(9) 0.9303(9) 0.175(7) Uani 0.50 1 d PGDU
H79 H 0.2898 0.4274 0.9249 0.210 Uiso 0.50 1 calc PR
C80 C 0.2190(14) 0.4841(8) 0.9712(7) 0.175(7) Uani 0.50 1 d PGDU
H80 H 0.2569 0.5040 0.9933 0.209 Uiso 0.50 1 calc PR
C81 C 0.1426(15) 0.5002(7) 0.9792(7) 0.176(7) Uani 0.50 1 d PGDU
H81 H 0.1294 0.5309 1.0066 0.211 Uiso 0.50 1 calc PR
C82 C 0.0858(12) 0.4704(8) 0.9462(8) 0.177(6) Uani 0.50 1 d PGDU
H82 H 0.0347 0.4812 0.9515 0.212 Uiso 0.50 1 calc PR
C83 C 0.1055(11) 0.4245(7) 0.9053(6) 0.175(6) Uani 0.50 1 d PGDU
C84 C 0.0445(14) 0.3927(11) 0.8702(9) 0.177(6) Uani 0.50 1 d PDU
H84A H -0.0044 0.4001 0.8887 0.265 Uiso 0.50 1 calc PR
H84B H 0.0545 0.3492 0.8695 0.265 Uiso 0.50 1 calc PR
H84C H 0.0439 0.4082 0.8296 0.265 Uiso 0.50 1 calc PR
C85 C 0.3360(11) 0.3178(7) 0.1775(9) 0.178(7) Uani 0.50 1 d PGDU
H85 H 0.2928 0.3299 0.1989 0.214 Uiso 0.50 1 calc PR
C86 C 0.3994(13) 0.2947(8) 0.2080(9) 0.182(7) Uani 0.50 1 d PGU
H86 H 0.3986 0.2914 0.2498 0.219 Uiso 0.50 1 calc PR
C87 C 0.4640(11) 0.2766(7) 0.1759(12) 0.181(7) Uani 0.50 1 d PGU
H87 H 0.5065 0.2611 0.1964 0.217 Uiso 0.50 1 calc PR
C88 C 0.4653(10) 0.2815(7) 0.1134(12) 0.178(7) Uani 0.50 1 d PGU
H88 H 0.5086 0.2694 0.0919 0.213 Uiso 0.50 1 calc PR
C89 C 0.4019(12) 0.3046(7) 0.0829(9) 0.175(7) Uani 0.50 1 d PGDU
H89 H 0.4028 0.3079 0.0410 0.210 Uiso 0.50 1 calc PR
C90 C 0.3373(10) 0.3227(7) 0.1149(9) 0.177(7) Uani 0.50 1 d PGDU
C91 C 0.2711(13) 0.3505(10) 0.0828(13) 0.182(7) Uani 0.50 1 d PDU
H91A H 0.2873 0.3649 0.0439 0.272 Uiso 0.50 1 calc PR
H91B H 0.2516 0.3845 0.1059 0.272 Uiso 0.50 1 calc PR
H91C H 0.2317 0.3201 0.0779 0.272 Uiso 0.50 1 calc PR
K1 K 0.80177(12) 0.53487(9) 0.46522(10) 0.0823(6) Uani 1 1 d .
K2 K 0.96863(13) 0.21485(10) 0.28533(10) 0.0899(6) Uani 1 1 d .
N1 N 0.7576(3) 0.4365(2) 0.3617(2) 0.0509(12) Uani 1 1 d .
N2 N 0.7978(2) 0.4110(2) 0.4071(2) 0.0450(11) Uani 1 1 d .
N3 N 0.9542(3) 0.4876(2) 0.4077(2) 0.0463(12) Uani 1 1 d .
N4 N 0.9146(3) 0.5225(2) 0.3678(2) 0.0443(11) Uani 1 1 d .
N5 N 0.9695(3) 0.3327(2) 0.3712(2) 0.0488(12) Uani 1 1 d .
N6 N 1.0213(3) 0.3659(3) 0.3392(2) 0.0557(14) Uani 1 1 d .
N7 N 0.8308(3) 0.3191(2) 0.2796(2) 0.0533(13) Uani 1 1 d .
N8 N 0.8914(3) 0.3341(2) 0.2439(2) 0.0493(11) Uani 1 1 d .
N9 N 0.9276(3) 0.4860(2) 0.2369(2) 0.0448(12) Uani 1 1 d .
N10 N 0.8547(3) 0.4660(2) 0.2284(2) 0.0482(12) Uani 1 1 d .
P1 P 0.65943(10) 0.41724(12) 0.44827(9) 0.0685(5) Uani 1 1 d .
P2 P 0.88193(14) 0.53658(9) 0.13642(8) 0.0679(5) Uani 1 1 d .
P3 P 0.81305(14) 0.25342(9) 0.18252(10) 0.0762(6) Uani 1 1 d .
P4 P 1.10102(15) 0.28156(11) 0.39439(11) 0.0832(7) Uani 1 1 d .
P5 P 0.99129(11) 0.60037(8) 0.43408(9) 0.0587(5) Uani 1 1 d .
Sm1 Sm 0.892963(16) 0.416817(12) 0.323860(12) 0.03718(8) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C2 C1 C6 122.0(8) . .
C2 C1 H1 119.0 . .
C6 C1 H1 119.0 . .
C1 C2 C3 119.3(8) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 121.0(8) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C3 C4 C5 119.1(8) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
C6 C5 C4 121.0(7) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C1 117.6(7) . .
C5 C6 C7 120.7(6) . .
C1 C6 C7 121.7(6) . .
N2 C7 C6 120.3(5) . .
N2 C7 P1 112.8(5) . .
C6 C7 P1 126.9(4) . .
N2 C7 K1 73.0(3) . .
C6 C7 K1 101.8(4) . .
P1 C7 K1 91.1(3) . .
N1 C8 C9 120.9(6) . .
N1 C8 P1 113.9(5) . .
C9 C8 P1 125.2(5) . .
N1 C8 K1 67.7(4) . .
C9 C8 K1 122.4(5) . .
P1 C8 K1 78.5(2) . .
C10 C9 C14 120.0 . .
C10 C9 C8 119.1(5) . .
C14 C9 C8 120.9(5) . .
C11 C10 C9 120.0 . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 C12 120.0 . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C14 C13 C12 120.0 . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C9 120.0 . .
C13 C14 H14 120.0 . .
C9 C14 H14 120.0 . .
C16 C15 C20 121.2(8) . .
C16 C15 K1 70.8(5) . 2_664
C20 C15 K1 126.7(6) . 2_664
C16 C15 H15 110.8 . .
C20 C15 H15 110.8 . .
K1 C15 H15 110.8 2_664 .
C15 C16 C17 119.9(8) . .
C15 C16 K1 86.1(6) . 2_664
C17 C16 K1 118.9(7) . 2_664
C15 C16 H16 110.0 . .
C17 C16 H16 110.0 . .
K1 C16 H16 110.0 2_664 .
C18 C17 C16 119.6(9) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C19 C18 C17 120.1(9) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 121.5(7) . .
C18 C19 H19 119.3 . .
C20 C19 H19 119.3 . .
C15 C20 C19 117.7(7) . .
C15 C20 C21 122.3(7) . .
C19 C20 C21 119.8(6) . .
N10 C21 C20 120.2(6) . .
N10 C21 P2 113.0(5) . .
C20 C21 P2 126.8(5) . .
N9 C22 C23 119.5(6) . .
N9 C22 P2 114.8(5) . .
C23 C22 P2 125.6(4) . .
C24 C23 C28 120.0 . .
C24 C23 C22 119.3(4) . .
C28 C23 C22 120.7(4) . .
C24 C23 K2 77.4(2) . 3_755
C28 C23 K2 75.6(2) . 3_755
C22 C23 K2 117.3(4) . 3_755
C23 C24 C25 120.0 . .
C23 C24 K2 79.8(2) . 3_755
C25 C24 K2 74.2(2) . 3_755
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
K2 C24 H24 116.7 3_755 .
C24 C25 C26 120.0 . .
C24 C25 K2 82.7(2) . 3_755
C26 C25 K2 75.0(2) . 3_755
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
K2 C25 H25 112.7 3_755 .
C27 C26 C25 120.0 . .
C27 C26 K2 79.3(2) . 3_755
C25 C26 K2 81.2(2) . 3_755
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
K2 C26 H26 109.9 3_755 .
C26 C27 C28 120.0 . .
C26 C27 K2 76.7(2) . 3_755
C28 C27 K2 82.6(2) . 3_755
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
K2 C27 H27 111.1 3_755 .
C27 C28 C23 120.0 . .
C27 C28 K2 74.0(2) . 3_755
C23 C28 K2 81.5(2) . 3_755
C27 C28 H28 120.0 . .
C23 C28 H28 120.0 . .
K2 C28 H28 115.1 3_755 .
C34 C29 C30 121.0(9) . .
C34 C29 H29 119.5 . .
C30 C29 H29 119.5 . .
C31 C30 C29 118.8(11) . .
C31 C30 H30 120.6 . .
C29 C30 H30 120.6 . .
C32 C31 C30 121.2(10) . .
C32 C31 H31 119.4 . .
C30 C31 H31 119.4 . .
C31 C32 C33 120.9(10) . .
C31 C32 H32 119.6 . .
C33 C32 H32 119.6 . .
C32 C33 C34 119.6(11) . .
C32 C33 H33 120.2 . .
C34 C33 H33 120.2 . .
C29 C34 C33 118.5(9) . .
C29 C34 C35 121.6(7) . .
C33 C34 C35 119.9(9) . .
N8 C35 C34 119.1(7) . .
N8 C35 P3 113.6(6) . .
C34 C35 P3 127.2(5) . .
N8 C35 K2 72.1(3) . .
C34 C35 K2 107.3(5) . .
P3 C35 K2 90.2(2) . .
N7 C36 C37 117.8(6) . .
N7 C36 P3 115.3(6) . .
C37 C36 P3 126.8(5) . .
N7 C36 K2 69.3(4) . .
C37 C36 K2 122.4(4) . .
P3 C36 K2 79.6(3) . .
C38 C37 C42 120.0 . .
C38 C37 C36 121.8(5) . .
C42 C37 C36 118.2(5) . .
C37 C38 C39 120.0 . .
C37 C38 H38 120.0 . .
C39 C38 H38 120.0 . .
C40 C39 C38 120.0 . .
C40 C39 H39 120.0 . .
C38 C39 H39 120.0 . .
C39 C40 C41 120.0 . .
C39 C40 H40 120.0 . .
C41 C40 H40 120.0 . .
C42 C41 C40 120.0 . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C41 C42 C37 120.0 . .
C41 C42 H42 120.0 . .
C37 C42 H42 120.0 . .
C44 C43 C48 120.0 . .
C44 C43 H43 120.0 . .
C48 C43 H43 120.0 . .
C45 C44 C43 120.0 . .
C45 C44 H44 120.0 . .
C43 C44 H44 120.0 . .
C46 C45 C44 120.0 . .
C46 C45 H45 120.0 . .
C44 C45 H45 120.0 . .
C47 C46 C45 120.0 . .
C47 C46 H46 120.0 . .
C45 C46 H46 120.0 . .
C46 C47 C48 120.0 . .
C46 C47 H47 120.0 . .
C48 C47 H47 120.0 . .
C47 C48 C43 120.0 . .
C47 C48 C49 119.0(5) . .
C43 C48 C49 121.0(5) . .
C47 C48 K2 116.9(3) . .
C43 C48 K2 92.3(3) . .
C49 C48 K2 61.8(3) . .
N5 C49 C48 119.6(6) . .
N5 C49 P4 112.7(6) . .
C48 C49 P4 127.7(5) . .
N5 C49 K2 82.6(4) . .
C48 C49 K2 93.4(4) . .
P4 C49 K2 94.2(3) . .
N6 C50 C51 121.2(7) . .
N6 C50 P4 112.9(6) . .
C51 C50 P4 125.9(6) . .
C56 C51 C52 120.2(10) . .
C56 C51 C50 118.5(10) . .
C52 C51 C50 120.9(8) . .
C51 C52 C53 120.8(10) . .
C51 C52 H52 119.6 . .
C53 C52 H52 119.6 . .
C54 C53 C52 120.2(12) . .
C54 C53 H53 119.9 . .
C52 C53 H53 119.9 . .
C53 C54 C55 120.2(13) . .
C53 C54 H54 119.9 . .
C55 C54 H54 119.9 . .
C54 C55 C56 121.3(12) . .
C54 C55 H55 119.4 . .
C56 C55 H55 119.4 . .
C51 C56 C55 116.1(12) . .
C51 C56 H56 122.0 . .
C55 C56 H56 122.0 . .
C62 C57 C58 121.2(8) . .
C62 C57 H57 119.4 . .
C58 C57 H57 119.4 . .
C59 C58 C57 119.7(9) . .
C59 C58 H58 120.2 . .
C57 C58 H58 120.2 . .
C60 C59 C58 119.3(8) . .
C60 C59 H59 120.3 . .
C58 C59 H59 120.3 . .
C59 C60 C61 121.6(9) . .
C59 C60 H60 119.2 . .
C61 C60 H60 119.2 . .
C60 C61 C62 120.6(9) . .
C60 C61 H61 119.7 . .
C62 C61 H61 119.7 . .
C57 C62 C61 117.6(7) . .
C57 C62 C63 122.1(6) . .
C61 C62 C63 120.4(7) . .
N3 C63 C62 120.2(6) . .
N3 C63 P5 113.9(5) . .
C62 C63 P5 125.9(5) . .
N3 C63 K1 64.9(3) . .
C62 C63 K1 121.0(4) . .
P5 C63 K1 82.8(2) . .
N4 C64 C65 119.7(5) . .
N4 C64 P5 114.2(5) . .
C65 C64 P5 126.1(5) . .
N4 C64 K1 68.2(3) . .
C65 C64 K1 107.7(4) . .
P5 C64 K1 92.2(2) . .
C66 C65 C70 117.9(6) . .
C66 C65 C64 121.4(6) . .
C70 C65 C64 120.6(6) . .
C65 C66 C67 121.1(7) . .
C65 C66 H66 119.5 . .
C67 C66 H66 119.5 . .
C68 C67 C66 120.0(8) . .
C68 C67 H67 120.0 . .
C66 C67 H67 120.0 . .
C69 C68 C67 119.2(8) . .
C69 C68 H68 120.4 . .
C67 C68 H68 120.4 . .
C68 C69 C70 120.7(8) . .
C68 C69 K2 98.3(7) . 3_755
C70 C69 K2 84.7(6) . 3_755
C68 C69 H69 115.7 . .
C70 C69 H69 115.7 . .
K2 C69 H69 115.7 3_755 .
C69 C70 C65 121.0(8) . .
C69 C70 K2 72.3(5) . 3_755
C65 C70 K2 102.7(5) . 3_755
C69 C70 H70 116.9 . .
C65 C70 H70 116.9 . .
K2 C70 H70 116.9 3_755 .
C72 C71 C76 120.0 . .
C72 C71 K1 76.5(3) . .
C76 C71 K1 81.4(3) . .
C72 C71 H71 119.7 . .
C76 C71 H71 119.7 . .
K1 C71 H71 119.7 . .
C71 C72 C73 120.0 . .
C71 C72 K1 78.0(3) . .
C73 C72 K1 80.6(3) . .
C71 C72 H72 119.7 . .
C73 C72 H72 119.7 . .
K1 C72 H72 119.7 . .
C74 C73 C72 120.0 . .
C74 C73 K1 81.6(3) . .
C72 C73 K1 74.3(3) . .
C74 C73 H73 119.9 . .
C72 C73 H73 119.9 . .
K1 C73 H73 119.9 . .
C73 C74 C75 120.0 . .
C73 C74 K1 73.9(2) . .
C75 C74 K1 78.7(3) . .
C73 C74 H74 120.0 . .
C75 C74 H74 120.0 . .
K1 C74 H74 120.0 . .
C76 C75 C74 120.0 . .
C76 C75 K1 74.8(2) . .
C74 C75 K1 77.2(3) . .
C76 C75 H75 120.0 . .
C74 C75 H75 120.0 . .
K1 C75 H75 120.0 . .
C75 C76 C71 120.0 . .
C75 C76 C77 120.3(13) . .
C71 C76 C77 119.7(13) . .
C75 C76 K1 80.9(3) . .
C71 C76 K1 73.6(2) . .
C77 C76 K1 114.0(8) . .
C76 C77 H77A 109.5 . .
C76 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C76 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C79 C78 C83 120.0 . .
C79 C78 H78 120.0 . .
C83 C78 H78 120.0 . .
C78 C79 C80 120.0 . .
C78 C79 H79 120.0 . .
C80 C79 H79 120.0 . .
C81 C80 C79 120.0 . .
C81 C80 H80 120.0 . .
C79 C80 H80 120.0 . .
C80 C81 C82 120.0 . .
C80 C81 H81 120.0 . .
C82 C81 H81 120.0 . .
C83 C82 C81 120.0 . .
C83 C82 H82 120.0 . .
C81 C82 H82 120.0 . .
C82 C83 C78 120.0 . .
C82 C83 C84 119.8(4) . .
C78 C83 C84 120.2(4) . .
C83 C84 H84A 109.5 . .
C83 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C83 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C86 C85 C90 120.0 . .
C86 C85 H85 120.0 . .
C90 C85 H85 120.0 . .
C85 C86 C87 120.0 . .
C85 C86 H86 120.0 . .
C87 C86 H86 120.0 . .
C86 C87 C88 120.0 . .
C86 C87 H87 120.0 . .
C88 C87 H87 120.0 . .
C89 C88 C87 120.0 . .
C89 C88 H88 120.0 . .
C87 C88 H88 120.0 . .
C88 C89 C90 120.0 . .
C88 C89 H89 120.0 . .
C90 C89 H89 120.0 . .
C89 C90 C85 120.0 . .
C89 C90 C91 120.2(4) . .
C85 C90 C91 119.8(4) . .
C90 C91 H91A 109.5 . .
C90 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C90 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
N4 K1 N2 67.39(13) . .
N4 K1 C7 92.00(15) . .
N2 K1 C7 25.30(14) . .
N4 K1 N3 25.60(13) . .
N2 K1 N3 63.06(13) . .
C7 K1 N3 82.71(15) . .
N4 K1 C72 147.0(2) . .
N2 K1 C72 122.8(2) . .
C7 K1 C72 104.97(19) . .
N3 K1 C72 171.06(18) . .
N4 K1 C64 25.19(15) . .
N2 K1 C64 92.39(15) . .
C7 K1 C64 117.18(17) . .
N3 K1 C64 41.84(15) . .
C72 K1 C64 129.2(2) . .
N4 K1 C71 139.73(19) . .
N2 K1 C71 147.7(2) . .
C7 K1 C71 126.4(2) . .
N3 K1 C71 149.3(2) . .
C72 K1 C71 25.5 . .
C64 K1 C71 115.2(2) . .
N4 K1 C73 124.3(3) . .
N2 K1 C73 110.38(18) . .
C7 K1 C73 102.0(2) . .
N3 K1 C73 149.7(3) . .
C72 K1 C73 25.18(6) . .
C64 K1 C73 113.9(3) . .
C71 K1 C73 44.28(7) . .
N4 K1 N1 65.00(13) . .
N2 K1 N1 24.65(13) . .
C7 K1 N1 41.77(15) . .
N3 K1 N1 72.32(14) . .
C72 K1 N1 110.3(3) . .
C64 K1 N1 86.37(15) . .
C71 K1 N1 134.8(2) . .
C73 K1 N1 91.16(19) . .
N4 K1 C76 114.80(19) . .
N2 K1 C76 159.8(2) . .
C7 K1 C76 149.09(19) . .
N3 K1 C76 128.06(17) . .
C72 K1 C76 44.12(7) . .
C64 K1 C76 90.3(2) . .
C71 K1 C76 24.9 . .
C73 K1 C76 50.78(7) . .
N1 K1 C76 136.0(2) . .
N4 K1 C16 115.64(18) . 2_665
N2 K1 C16 110.1(2) . 2_665
C7 K1 C16 94.8(2) . 2_665
N3 K1 C16 92.62(18) . 2_665
C72 K1 C16 91.3(3) . 2_665
C64 K1 C16 111.0(2) . 2_665
C71 K1 C16 76.8(2) . 2_665
C73 K1 C16 116.5(3) . 2_665
N1 K1 C16 134.4(2) . 2_665
C76 K1 C16 87.4(3) . 2_665
N4 K1 C74 103.4(2) . .
N2 K1 C74 117.1(2) . .
C7 K1 C74 118.6(3) . .
N3 K1 C74 128.7(2) . .
C72 K1 C74 43.64(8) . .
C64 K1 C74 89.7(3) . .
C71 K1 C74 50.73(7) . .
C73 K1 C74 24.48(6) . .
N1 K1 C74 93.1(2) . .
C76 K1 C74 42.93(7) . .
C16 K1 C74 127.3(2) 2_665 .
N8 K2 C49 84.92(16) . .
N8 K2 N5 60.12(13) . .
C49 K2 N5 24.89(16) . .
N8 K2 C35 24.93(14) . .
C49 K2 C35 109.51(18) . .
N5 K2 C35 84.61(15) . .
N8 K2 N7 24.28(14) . .
C49 K2 N7 79.85(16) . .
N5 K2 N7 58.47(13) . .
C35 K2 N7 40.62(16) . .
N8 K2 C26 106.8(4) . 3_745
C49 K2 C26 113.8(6) . 3_745
N5 K2 C26 120.3(4) . 3_745
C35 K2 C26 99.5(6) . 3_745
N7 K2 C26 87.0(3) . 3_745
N8 K2 C27 111.7(5) . 3_745
C49 K2 C27 136.4(7) . 3_745
N5 K2 C27 143.8(6) . 3_745
C35 K2 C27 95.1(5) . 3_745
N7 K2 C27 99.0(4) . 3_745
C26 K2 C27 24.0(3) 3_745 3_745
N8 K2 C69 95.0(2) . 3_745
C49 K2 C69 105.7(2) . 3_745
N5 K2 C69 103.78(17) . 3_745
C35 K2 C69 84.5(2) . 3_745
N7 K2 C69 119.3(2) . 3_745
C26 K2 C69 135.9(4) 3_745 3_745
C27 K2 C69 112.2(6) 3_745 3_745
N8 K2 C25 121.3(5) . 3_745
C49 K2 C25 94.8(5) . 3_745
N5 K2 C25 108.8(4) . 3_745
C35 K2 C25 120.9(6) . 3_745
N7 K2 C25 97.8(4) . 3_745
C26 K2 C25 23.8(3) 3_745 3_745
C27 K2 C25 41.8(4) 3_745 3_745
C69 K2 C25 139.9(3) 3_745 3_745
N8 K2 C28 132.2(6) . 3_745
C49 K2 C28 135.3(7) . 3_745
N5 K2 C28 155.9(7) . 3_745
C35 K2 C28 111.2(6) . 3_745
N7 K2 C28 122.4(6) . 3_745
C26 K2 C28 41.5(4) 3_745 3_745
C27 K2 C28 23.5(2) 3_745 3_745
C69 K2 C28 95.9(7) 3_745 3_745
C25 K2 C28 47.8(4) 3_745 3_745
N8 K2 C48 95.38(14) . .
C49 K2 C48 24.87(17) . .
N5 K2 C48 42.60(12) . .
C35 K2 C48 119.59(16) . .
N7 K2 C48 81.05(14) . .
C26 K2 C48 89.2(6) 3_745 .
C27 K2 C48 111.5(6) 3_745 .
C69 K2 C48 127.0(2) 3_745 .
C25 K2 C48 70.1(5) 3_745 .
C28 K2 C48 113.8(7) 3_745 .
N8 K2 C24 144.5(6) . 3_745
C49 K2 C24 95.1(5) . 3_745
N5 K2 C24 116.2(5) . 3_745
C35 K2 C24 140.4(7) . 3_745
N7 K2 C24 120.7(6) . 3_745
C26 K2 C24 41.2(4) 3_745 3_745
C27 K2 C24 47.8(4) 3_745 3_745
C69 K2 C24 118.8(6) 3_745 3_745
C25 K2 C24 23.2(3) 3_745 3_745
C28 K2 C24 40.4(2) 3_745 3_745
C48 K2 C24 73.6(5) . 3_745
C8 N1 N2 112.3(5) . .
C8 N1 Sm1 173.0(5) . .
N2 N1 Sm1 72.0(3) . .
C8 N1 K1 89.8(4) . .
N2 N1 K1 67.4(3) . .
Sm1 N1 K1 97.06(16) . .
C7 N2 N1 114.6(5) . .
C7 N2 Sm1 167.2(4) . .
N1 N2 Sm1 76.9(3) . .
C7 N2 K1 81.7(4) . .
N1 N2 K1 87.9(3) . .
Sm1 N2 K1 105.01(17) . .
C63 N3 N4 113.4(5) . .
C63 N3 Sm1 170.0(4) . .
N4 N3 Sm1 70.1(3) . .
C63 N3 K1 92.3(4) . .
N4 N3 K1 69.4(3) . .
Sm1 N3 K1 97.69(16) . .
C64 N4 N3 112.3(5) . .
C64 N4 Sm1 164.2(4) . .
N3 N4 Sm1 79.5(3) . .
C64 N4 K1 86.6(3) . .
N3 N4 K1 85.0(3) . .
Sm1 N4 K1 105.44(17) . .
C49 N5 N6 113.6(6) . .
C49 N5 Sm1 170.7(5) . .
N6 N5 Sm1 75.5(3) . .
C49 N5 K2 72.5(4) . .
N6 N5 K2 96.8(3) . .
Sm1 N5 K2 109.53(17) . .
C50 N6 N5 113.7(6) . .
C50 N6 Sm1 171.7(5) . .
N5 N6 Sm1 73.1(3) . .
C36 N7 N8 112.1(5) . .
C36 N7 Sm1 167.4(5) . .
N8 N7 Sm1 72.3(3) . .
C36 N7 K2 88.5(4) . .
N8 N7 K2 67.7(3) . .
Sm1 N7 K2 104.04(18) . .
C35 N8 N7 112.5(6) . .
C35 N8 Sm1 162.6(4) . .
N7 N8 Sm1 76.8(3) . .
C35 N8 K2 83.0(3) . .
N7 N8 K2 88.1(3) . .
Sm1 N8 K2 112.79(17) . .
C22 N9 N10 111.9(5) . .
C22 N9 Sm1 176.1(5) . .
N10 N9 Sm1 71.9(3) . .
C21 N10 N9 114.4(5) . .
C21 N10 Sm1 169.2(5) . .
N9 N10 Sm1 76.4(3) . .
C7 P1 C8 86.4(3) . .
C7 P1 K1 59.5(2) . .
C8 P1 K1 72.7(2) . .
C22 P2 C21 85.9(3) . .
C36 P3 C35 86.4(3) . .
C36 P3 K2 72.5(2) . .
C35 P3 K2 61.1(2) . .
C49 P4 C50 87.0(3) . .
C49 P4 K2 57.0(2) . .
C50 P4 K2 83.0(2) . .
C64 P5 C63 86.2(3) . .
C64 P5 K1 59.3(2) . .
C63 P5 K1 68.8(2) . .
N10 Sm1 N2 118.56(17) . .
N10 Sm1 N5 145.52(17) . .
N2 Sm1 N5 90.50(17) . .
N10 Sm1 N9 31.66(17) . .
N2 Sm1 N9 139.39(17) . .
N5 Sm1 N9 129.06(17) . .
N10 Sm1 N4 88.72(16) . .
N2 Sm1 N4 81.97(16) . .
N5 Sm1 N4 115.07(16) . .
N9 Sm1 N4 73.50(16) . .
N10 Sm1 N6 123.19(18) . .
N2 Sm1 N6 118.14(17) . .
N5 Sm1 N6 31.38(17) . .
N9 Sm1 N6 98.69(19) . .
N4 Sm1 N6 102.32(17) . .
N10 Sm1 N8 72.72(16) . .
N2 Sm1 N8 118.52(17) . .
N5 Sm1 N8 77.25(17) . .
N9 Sm1 N8 83.71(16) . .
N4 Sm1 N8 157.04(16) . .
N6 Sm1 N8 78.00(18) . .
N10 Sm1 N1 87.57(17) . .
N2 Sm1 N1 31.04(15) . .
N5 Sm1 N1 118.84(17) . .
N9 Sm1 N1 112.03(17) . .
N4 Sm1 N1 81.92(16) . .
N6 Sm1 N1 148.76(18) . .
N8 Sm1 N1 109.93(18) . .
N10 Sm1 N7 85.17(17) . .
N2 Sm1 N7 87.66(17) . .
N5 Sm1 N7 77.45(18) . .
N9 Sm1 N7 107.54(16) . .
N4 Sm1 N7 163.65(17) . .
N6 Sm1 N7 93.70(18) . .
N8 Sm1 N7 30.90(17) . .
N1 Sm1 N7 82.68(17) . .
N10 Sm1 N3 117.57(16) . .
N2 Sm1 N3 77.15(15) . .
N5 Sm1 N3 85.01(17) . .
N9 Sm1 N3 95.41(15) . .
N4 Sm1 N3 30.35(15) . .
N6 Sm1 N3 78.46(16) . .
N8 Sm1 N3 156.02(17) . .
N1 Sm1 N3 92.67(15) . .
N7 Sm1 N3 156.68(16) . .
N10 Sm1 K1 105.29(13) . .
N2 Sm1 K1 41.49(12) . .
N5 Sm1 K1 108.96(12) . .
N9 Sm1 K1 106.71(12) . .
N4 Sm1 K1 40.59(11) . .
N6 Sm1 K1 119.11(13) . .
N8 Sm1 K1 157.12(14) . .
N1 Sm1 K1 47.44(12) . .
N7 Sm1 K1 127.25(13) . .
N3 Sm1 K1 45.38(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.367(12) .
C1 C6 1.398(9) .
C1 H1 0.9300 .
C2 C3 1.381(13) .
C2 H2 0.9300 .
C3 C4 1.363(12) .
C3 H3 0.9300 .
C4 C5 1.412(11) .
C4 H4 0.9300 .
C5 C6 1.378(10) .
C5 H5 0.9300 .
C6 C7 1.464(9) .
C7 N2 1.333(7) .
C7 P1 1.758(7) .
C7 K1 3.086(7) .
C8 N1 1.337(8) .
C8 C9 1.476(8) .
C8 P1 1.759(7) .
C8 K1 3.489(8) .
C9 C10 1.3900 .
C9 C14 1.3900 .
C10 C11 1.3900 .
C10 H10 0.9300 .
C11 C12 1.3900 .
C11 H11 0.9300 .
C12 C13 1.3900 .
C12 H12 0.9300 .
C13 C14 1.3900 .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.365(12) .
C15 C20 1.383(10) .
C15 K1 3.473(9) 2_664
C15 H15 0.9800 .
C16 C17 1.387(13) .
C16 K1 3.288(10) 2_664
C16 H16 0.9800 .
C17 C18 1.374(13) .
C17 H17 0.9300 .
C18 C19 1.355(11) .
C18 H18 0.9300 .
C19 C20 1.395(11) .
C19 H19 0.9300 .
C20 C21 1.471(10) .
C21 N10 1.323(8) .
C21 P2 1.772(7) .
C22 N9 1.330(8) .
C22 C23 1.470(8) .
C22 P2 1.751(7) .
C23 C24 1.3900 .
C23 C28 1.3900 .
C23 K2 3.534(5) 3_755
C24 C25 1.3900 .
C24 K2 3.503(6) 3_755
C24 H24 0.9300 .
C25 C26 1.3900 .
C25 K2 3.398(7) 3_755
C25 H25 0.9300 .
C26 C27 1.3900 .
C26 K2 3.322(7) 3_755
C26 H26 0.9300 .
C27 C28 1.3900 .
C27 K2 3.354(7) 3_755
C27 H27 0.9300 .
C28 K2 3.461(6) 3_755
C28 H28 0.9300 .
C29 C34 1.385(13) .
C29 C30 1.397(13) .
C29 H29 0.9300 .
C30 C31 1.370(14) .
C30 H30 0.9300 .
C31 C32 1.359(15) .
C31 H31 0.9300 .
C32 C33 1.378(13) .
C32 H32 0.9300 .
C33 C34 1.405(11) .
C33 H33 0.9300 .
C34 C35 1.464(11) .
C35 N8 1.355(7) .
C35 P3 1.748(8) .
C35 K2 3.189(6) .
C36 N7 1.335(8) .
C36 C37 1.529(9) .
C36 P3 1.730(8) .
C36 K2 3.531(8) .
C37 C38 1.3900 .
C37 C42 1.3900 .
C38 C39 1.3900 .
C38 H38 0.9300 .
C39 C40 1.3900 .
C39 H39 0.9300 .
C40 C41 1.3900 .
C40 H40 0.9300 .
C41 C42 1.3900 .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C44 1.3900 .
C43 C48 1.3900 .
C43 H43 0.9300 .
C44 C45 1.3900 .
C44 H44 0.9300 .
C45 C46 1.3900 .
C45 H45 0.9300 .
C46 C47 1.3900 .
C46 H46 0.9300 .
C47 C48 1.3900 .
C47 H47 0.9300 .
C48 C49 1.463(9) .
C48 K2 3.473(6) .
C49 N5 1.353(8) .
C49 P4 1.760(8) .
C49 K2 3.065(7) .
C50 N6 1.335(8) .
C50 C51 1.454(12) .
C50 P4 1.776(8) .
C51 C56 1.368(14) .
C51 C52 1.384(15) .
C52 C53 1.401(15) .
C52 H52 0.9300 .
C53 C54 1.325(16) .
C53 H53 0.9300 .
C54 C55 1.360(17) .
C54 H54 0.9300 .
C55 C56 1.469(16) .
C55 H55 0.9300 .
C56 H56 0.9300 .
C57 C62 1.379(10) .
C57 C58 1.408(11) .
C57 H57 0.9300 .
C58 C59 1.363(13) .
C58 H58 0.9300 .
C59 C60 1.358(14) .
C59 H59 0.9300 .
C60 C61 1.379(12) .
C60 H60 0.9300 .
C61 C62 1.386(10) .
C61 H61 0.9300 .
C62 C63 1.489(9) .
C63 N3 1.335(8) .
C63 P5 1.754(7) .
C63 K1 3.446(6) .
C64 N4 1.345(8) .
C64 C65 1.476(9) .
C64 P5 1.750(6) .
C64 K1 3.155(6) .
C65 C66 1.382(9) .
C65 C70 1.404(9) .
C66 C67 1.398(11) .
C66 H66 0.9300 .
C67 C68 1.392(12) .
C67 H67 0.9300 .
C68 C69 1.379(13) .
C68 H68 0.9300 .
C69 C70 1.381(11) .
C69 K2 3.364(10) 3_755
C69 H69 0.9800 .
C70 K2 3.517(9) 3_755
C70 H70 0.9800 .
C71 C72 1.3900 .
C71 C76 1.3900 .
C71 K1 3.163(7) .
C71 H71 0.9800 .
C72 C73 1.3900 .
C72 K1 3.144(7) .
C72 H72 0.9800 .
C73 C74 1.3900 .
C73 K1 3.223(8) .
C73 H73 0.9800 .
C74 C75 1.3900 .
C74 K1 3.318(8) .
C74 H74 0.9800 .
C75 C76 1.3900 .
C75 K1 3.336(8) .
C75 H75 0.9800 .
C76 C77 1.504(17) .
C76 K1 3.260(7) .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 C79 1.3900 .
C78 C83 1.3900 .
C78 H78 0.9300 .
C79 C80 1.3900 .
C79 H79 0.9300 .
C80 C81 1.3900 .
C80 H80 0.9300 .
C81 C82 1.3900 .
C81 H81 0.9300 .
C82 C83 1.3900 .
C82 H82 0.9300 .
C83 C84 1.489(10) .
C84 H84A 0.9600 .
C84 H84B 0.9600 .
C84 H84C 0.9600 .
C85 C86 1.3900 .
C85 C90 1.3900 .
C85 H85 0.9300 .
C86 C87 1.3900 .
C86 H86 0.9300 .
C87 C88 1.3900 .
C87 H87 0.9300 .
C88 C89 1.3900 .
C88 H88 0.9300 .
C89 C90 1.3900 .
C89 H89 0.9300 .
C90 C91 1.484(10) .
C91 H91A 0.9600 .
C91 H91B 0.9600 .
C91 H91C 0.9600 .
K1 N4 2.935(5) .
K1 N2 2.982(5) .
K1 N3 3.123(5) .
K1 N1 3.227(5) .
K1 C16 3.288(10) 2_665
K2 N8 3.058(5) .
K2 N5 3.187(6) .
K2 N7 3.304(6) .
K2 C26 3.32(4) 3_745
K2 C27 3.35(3) 3_745
K2 C69 3.364(10) 3_745
K2 C25 3.40(4) 3_745
K2 C28 3.461(17) 3_745
K2 C24 3.50(3) 3_745
N1 N2 1.347(7) .
N1 Sm1 2.544(5) .
N2 Sm1 2.484(4) .
N3 N4 1.354(7) .
N3 Sm1 2.636(5) .
N4 Sm1 2.521(5) .
N5 N6 1.356(8) .
N5 Sm1 2.493(5) .
N6 Sm1 2.522(5) .
N7 N8 1.359(8) .
N7 Sm1 2.576(5) .
N8 Sm1 2.522(5) .
N9 N10 1.359(7) .
N9 Sm1 2.517(5) .
N10 Sm1 2.462(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_4
C6 C1 C2 C3 -0.2(13) . .
C1 C2 C3 C4 -0.3(15) . .
C2 C3 C4 C5 -0.1(15) . .
C3 C4 C5 C6 1.0(13) . .
C4 C5 C6 C1 -1.5(11) . .
C4 C5 C6 C7 178.7(7) . .
C2 C1 C6 C5 1.1(11) . .
C2 C1 C6 C7 -179.0(7) . .
C5 C6 C7 N2 20.9(10) . .
C1 C6 C7 N2 -159.0(6) . .
C5 C6 C7 P1 -156.6(6) . .
C1 C6 C7 P1 23.5(9) . .
C5 C6 C7 K1 -56.1(7) . .
C1 C6 C7 K1 124.0(6) . .
N1 C8 C9 C10 141.9(6) . .
P1 C8 C9 C10 -37.2(9) . .
K1 C8 C9 C10 -136.5(4) . .
N1 C8 C9 C14 -38.0(9) . .
P1 C8 C9 C14 142.9(5) . .
K1 C8 C9 C14 43.7(7) . .
C14 C9 C10 C11 0.0 . .
C8 C9 C10 C11 -179.9(7) . .
C9 C10 C11 C12 0.0 . .
C10 C11 C12 C13 0.0 . .
C11 C12 C13 C14 0.0 . .
C12 C13 C14 C9 0.0 . .
C10 C9 C14 C13 0.0 . .
C8 C9 C14 C13 179.9(7) . .
C20 C15 C16 C17 -0.7(15) . .
K1 C15 C16 C17 121.2(10) 2_664 .
C20 C15 C16 K1 -122.0(8) . 2_664
C15 C16 C17 C18 1.0(16) . .
K1 C16 C17 C18 104.2(10) 2_664 .
C16 C17 C18 C19 -2.0(17) . .
C17 C18 C19 C20 2.6(15) . .
C16 C15 C20 C19 1.2(13) . .
K1 C15 C20 C19 -87.2(9) 2_664 .
C16 C15 C20 C21 177.0(8) . .
K1 C15 C20 C21 88.6(8) 2_664 .
C18 C19 C20 C15 -2.2(12) . .
C18 C19 C20 C21 -178.0(8) . .
C15 C20 C21 N10 165.0(7) . .
C19 C20 C21 N10 -19.4(10) . .
C15 C20 C21 P2 -14.9(10) . .
C19 C20 C21 P2 160.8(6) . .
N9 C22 C23 C24 155.6(5) . .
P2 C22 C23 C24 -27.0(7) . .
N9 C22 C23 C28 -25.1(8) . .
P2 C22 C23 C28 152.3(4) . .
N9 C22 C23 K2 -113.9(5) . 3_755
P2 C22 C23 K2 63.4(6) . 3_755
C28 C23 C24 C25 0.0 . .
C22 C23 C24 C25 179.3(5) . .
K2 C23 C24 C25 64.9(2) 3_755 .
C28 C23 C24 K2 -64.9(2) . 3_755
C22 C23 C24 K2 114.4(4) . 3_755
C23 C24 C25 C26 0.0 . .
K2 C24 C25 C26 67.9(2) 3_755 .
C23 C24 C25 K2 -67.9(2) . 3_755
C24 C25 C26 C27 0.0 . .
K2 C25 C26 C27 72.11(19) 3_755 .
C24 C25 C26 K2 -72.11(19) . 3_755
C25 C26 C27 C28 0.0 . .
K2 C26 C27 C28 73.1(2) 3_755 .
C25 C26 C27 K2 -73.1(2) . 3_755
C26 C27 C28 C23 0.0 . .
K2 C27 C28 C23 69.9(2) 3_755 .
C26 C27 C28 K2 -69.9(2) . 3_755
C24 C23 C28 C27 0.0 . .
C22 C23 C28 C27 -179.3(5) . .
K2 C23 C28 C27 -65.9(2) 3_755 .
C24 C23 C28 K2 65.9(2) . 3_755
C22 C23 C28 K2 -113.4(5) . 3_755
C34 C29 C30 C31 1.6(15) . .
C29 C30 C31 C32 -1.3(16) . .
C30 C31 C32 C33 0.2(16) . .
C31 C32 C33 C34 0.7(14) . .
C30 C29 C34 C33 -0.7(14) . .
C30 C29 C34 C35 180.0(8) . .
C32 C33 C34 C29 -0.5(13) . .
C32 C33 C34 C35 178.9(8) . .
C29 C34 C35 N8 -8.8(11) . .
C33 C34 C35 N8 171.8(7) . .
C29 C34 C35 P3 168.5(7) . .
C33 C34 C35 P3 -10.9(10) . .
C29 C34 C35 K2 -87.6(8) . .
C33 C34 C35 K2 93.0(7) . .
N7 C36 C37 C38 -0.2(8) . .
P3 C36 C37 C38 -176.1(4) . .
K2 C36 C37 C38 81.8(6) . .
N7 C36 C37 C42 178.9(5) . .
P3 C36 C37 C42 3.0(8) . .
K2 C36 C37 C42 -99.1(5) . .
C42 C37 C38 C39 0.0 . .
C36 C37 C38 C39 179.1(6) . .
C37 C38 C39 C40 0.0 . .
C38 C39 C40 C41 0.0 . .
C39 C40 C41 C42 0.0 . .
C40 C41 C42 C37 0.0 . .
C38 C37 C42 C41 0.0 . .
C36 C37 C42 C41 -179.1(6) . .
C48 C43 C44 C45 0.0 . .
C43 C44 C45 C46 0.0 . .
C44 C45 C46 C47 0.0 . .
C45 C46 C47 C48 0.0 . .
C46 C47 C48 C43 0.0 . .
C46 C47 C48 C49 178.8(6) . .
C46 C47 C48 K2 -110.2(3) . .
C44 C43 C48 C47 0.0 . .
C44 C43 C48 C49 -178.8(6) . .
C44 C43 C48 K2 123.1(3) . .
C47 C48 C49 N5 -169.7(5) . .
C43 C48 C49 N5 9.1(8) . .
K2 C48 C49 N5 83.5(6) . .
C47 C48 C49 P4 8.9(8) . .
C43 C48 C49 P4 -172.3(5) . .
K2 C48 C49 P4 -97.9(5) . .
C47 C48 C49 K2 106.8(4) . .
C43 C48 C49 K2 -74.4(5) . .
N6 C50 C51 C56 159.4(9) . .
P4 C50 C51 C56 -19.2(14) . .
N6 C50 C51 C52 -26.8(14) . .
P4 C50 C51 C52 154.6(8) . .
C56 C51 C52 C53 -7.4(18) . .
C50 C51 C52 C53 178.9(10) . .
C51 C52 C53 C54 -2.5(19) . .
C52 C53 C54 C55 9(2) . .
C53 C54 C55 C56 -6(2) . .
C52 C51 C56 C55 9.8(18) . .
C50 C51 C56 C55 -176.4(10) . .
C54 C55 C56 C51 -3(2) . .
C62 C57 C58 C59 2.4(13) . .
C57 C58 C59 C60 -2.8(15) . .
C58 C59 C60 C61 2.0(16) . .
C59 C60 C61 C62 -0.6(15) . .
C58 C57 C62 C61 -1.1(11) . .
C58 C57 C62 C63 179.0(7) . .
C60 C61 C62 C57 0.2(12) . .
C60 C61 C62 C63 -179.9(7) . .
C57 C62 C63 N3 21.2(10) . .
C61 C62 C63 N3 -158.8(6) . .
C57 C62 C63 P5 -157.0(6) . .
C61 C62 C63 P5 23.1(9) . .
C57 C62 C63 K1 98.3(7) . .
C61 C62 C63 K1 -81.7(7) . .
N4 C64 C65 C66 6.5(9) . .
P5 C64 C65 C66 -174.4(5) . .
K1 C64 C65 C66 -68.0(7) . .
N4 C64 C65 C70 -175.9(6) . .
P5 C64 C65 C70 3.2(9) . .
K1 C64 C65 C70 109.6(6) . .
C70 C65 C66 C67 2.3(12) . .
C64 C65 C66 C67 -180.0(7) . .
C65 C66 C67 C68 -3.2(14) . .
C66 C67 C68 C69 3.4(15) . .
C67 C68 C69 C70 -2.9(15) . .
C67 C68 C69 K2 85.9(9) . 3_755
C68 C69 C70 C65 2.1(15) . .
K2 C69 C70 C65 -94.5(8) 3_755 .
C68 C69 C70 K2 96.5(10) . 3_755
C66 C65 C70 C69 -1.8(12) . .
C64 C65 C70 C69 -179.5(8) . .
C66 C65 C70 K2 -78.5(7) . 3_755
C64 C65 C70 K2 103.7(5) . 3_755
C76 C71 C72 C73 0.0 . .
K1 C71 C72 C73 -71.6(3) . .
C76 C71 C72 K1 71.6(3) . .
C71 C72 C73 C74 0.0 . .
K1 C72 C73 C74 -70.2(3) . .
C71 C72 C73 K1 70.2(3) . .
C72 C73 C74 C75 0.0 . .
K1 C73 C74 C75 -66.3(2) . .
C72 C73 C74 K1 66.3(2) . .
C73 C74 C75 C76 0.0 . .
K1 C74 C75 C76 -63.8(2) . .
C73 C74 C75 K1 63.8(2) . .
C74 C75 C76 C71 0.0 . .
K1 C75 C76 C71 -65.1(2) . .
C74 C75 C76 C77 177.6(10) . .
K1 C75 C76 C77 112.6(9) . .
C74 C75 C76 K1 65.1(2) . .
C72 C71 C76 C75 0.0 . .
K1 C71 C76 C75 68.9(3) . .
C72 C71 C76 C77 -177.6(10) . .
K1 C71 C76 C77 -108.7(9) . .
C72 C71 C76 K1 -68.9(3) . .
C83 C78 C79 C80 0.0 . .
C78 C79 C80 C81 0.0 . .
C79 C80 C81 C82 0.0 . .
C80 C81 C82 C83 0.0 . .
C81 C82 C83 C78 0.0 . .
C81 C82 C83 C84 179.9(3) . .
C79 C78 C83 C82 0.0 . .
C79 C78 C83 C84 -179.9(3) . .
C90 C85 C86 C87 0.0 . .
C85 C86 C87 C88 0.0 . .
C86 C87 C88 C89 0.0 . .
C87 C88 C89 C90 0.0 . .
C88 C89 C90 C85 0.0 . .
C88 C89 C90 C91 176.7(16) . .
C86 C85 C90 C89 0.0 . .
C86 C85 C90 C91 -176.7(16) . .
N2 C7 K1 N4 -13.1(4) . .
C6 C7 K1 N4 105.2(4) . .
P1 C7 K1 N4 -126.7(2) . .
C6 C7 K1 N2 118.3(5) . .
P1 C7 K1 N2 -113.6(5) . .
N2 C7 K1 N3 -37.1(3) . .
C6 C7 K1 N3 81.3(4) . .
P1 C7 K1 N3 -150.6(2) . .
N2 C7 K1 C72 138.3(4) . .
C6 C7 K1 C72 -103.4(4) . .
P1 C7 K1 C72 24.7(4) . .
N2 C7 K1 C64 -12.5(4) . .
C6 C7 K1 C64 105.8(4) . .
P1 C7 K1 C64 -126.1(2) . .
N2 C7 K1 C71 153.8(3) . .
C6 C7 K1 C71 -87.9(4) . .
P1 C7 K1 C71 40.2(4) . .
N2 C7 K1 C73 112.6(4) . .
C6 C7 K1 C73 -129.1(4) . .
P1 C7 K1 C73 -1.0(4) . .
N2 C7 K1 N1 34.5(3) . .
C6 C7 K1 N1 152.8(5) . .
P1 C7 K1 N1 -79.1(3) . .
N2 C7 K1 C76 137.9(5) . .
C6 C7 K1 C76 -103.7(6) . .
P1 C7 K1 C76 24.4(6) . .
N2 C7 K1 C16 -129.1(4) . 2_665
C6 C7 K1 C16 -10.7(4) . 2_665
P1 C7 K1 C16 117.4(3) . 2_665
N2 C7 K1 C74 93.3(4) . .
C6 C7 K1 C74 -148.3(4) . .
P1 C7 K1 C74 -20.2(3) . .
C71 C72 K1 N4 -91.4(7) . .
C73 C72 K1 N4 32.2(7) . .
C71 C72 K1 N2 169.8(4) . .
C73 C72 K1 N2 -66.6(4) . .
C71 C72 K1 C7 150.0(4) . .
C73 C72 K1 C7 -86.4(4) . .
C71 C72 K1 N3 -61(2) . .
C73 C72 K1 N3 62(2) . .
C71 C72 K1 C64 -64.0(6) . .
C73 C72 K1 C64 59.6(6) . .
C71 C72 K1 N1 -166.4(4) . .
C73 C72 K1 N1 -42.8(4) . .
C73 C72 K1 C76 93.37(10) . .
C71 C72 K1 C16 54.7(5) . 2_665
C73 C72 K1 C16 178.3(5) . 2_665
C65 C64 K1 N4 115.6(5) . .
P5 C64 K1 N4 -115.2(5) . .
N4 C64 K1 N2 -6.7(3) . .
C65 C64 K1 N2 108.9(4) . .
P5 C64 K1 N2 -122.0(2) . .
N4 C64 K1 C7 -1.4(4) . .
C65 C64 K1 C7 114.2(4) . .
P5 C64 K1 C7 -116.7(3) . .
N4 C64 K1 N3 36.7(3) . .
C65 C64 K1 N3 152.3(5) . .
P5 C64 K1 N3 -78.6(3) . .
N4 C64 K1 C72 -144.0(4) . .
C65 C64 K1 C72 -28.4(5) . .
P5 C64 K1 C72 100.8(4) . .
N4 C64 K1 C71 -169.2(3) . .
C65 C64 K1 C71 -53.6(4) . .
P5 C64 K1 C71 75.5(3) . .
N4 C64 K1 C73 -120.3(4) . .
C65 C64 K1 C73 -4.7(4) . .
P5 C64 K1 C73 124.4(3) . .
N4 C64 K1 N1 -30.7(3) . .
C65 C64 K1 N1 84.9(4) . .
P5 C64 K1 N1 -145.9(3) . .
N4 C64 K1 C76 -166.7(4) . .
C65 C64 K1 C76 -51.1(4) . .
P5 C64 K1 C76 78.0(3) . .
N4 C64 K1 C16 105.9(4) . 2_665
C65 C64 K1 C16 -138.5(4) . 2_665
P5 C64 K1 C16 -9.3(3) . 2_665
N4 C64 K1 C74 -123.8(4) . .
C65 C64 K1 C74 -8.2(4) . .
P5 C64 K1 C74 120.9(3) . .
C72 C71 K1 N4 122.7(6) . .
C76 C71 K1 N4 -1.1(6) . .
C72 C71 K1 N2 -16.1(5) . .
C76 C71 K1 N2 -139.9(5) . .
C72 C71 K1 C7 -36.8(5) . .
C76 C71 K1 C7 -160.6(5) . .
C72 C71 K1 N3 164.5(6) . .
C76 C71 K1 N3 40.8(5) . .
C72 C71 K1 C64 129.7(5) . .
C76 C71 K1 C64 5.9(5) . .
C76 C71 K1 C73 -93.29(11) . .
C72 C71 K1 N1 18.2(6) . .
C76 C71 K1 N1 -105.6(6) . .
C72 C71 K1 C16 -123.0(5) . 2_665
C76 C71 K1 C16 113.2(5) . 2_665
C72 C71 K1 C74 62.79(10) . .
C76 C71 K1 C74 -61.00(10) . .
C74 C73 K1 N4 -34.9(4) . .
C72 C73 K1 N4 -159.4(4) . .
C74 C73 K1 N2 -110.8(4) . .
C72 C73 K1 N2 124.6(4) . .
C74 C73 K1 C7 -135.7(4) . .
C72 C73 K1 C7 99.7(4) . .
C74 C73 K1 N3 -39.6(4) . .
C72 C73 K1 N3 -164.2(4) . .
C74 C73 K1 C64 -8.5(5) . .
C72 C73 K1 C64 -133.0(5) . .
C74 C73 K1 C71 93.68(11) . .
C74 C73 K1 N1 -95.0(4) . .
C72 C73 K1 N1 140.4(4) . .
C74 C73 K1 C76 60.78(10) . .
C72 C73 K1 C76 -63.76(11) . .
C74 C73 K1 C16 122.7(5) . 2_665
C72 C73 K1 C16 -1.9(5) . 2_665
C75 C76 K1 N4 54.1(4) . .
C71 C76 K1 N4 179.2(4) . .
C77 C76 K1 N4 -65.1(12) . .
C75 C76 K1 N2 -37.6(8) . .
C71 C76 K1 N2 87.5(8) . .
C77 C76 K1 N2 -156.8(11) . .
C75 C76 K1 C7 -93.7(8) . .
C71 C76 K1 C7 31.4(8) . .
C77 C76 K1 C7 147.1(11) . .
C75 C76 K1 N3 80.0(4) . .
C71 C76 K1 N3 -154.9(4) . .
C77 C76 K1 N3 -39.2(12) . .
C75 C76 K1 C64 60.3(5) . .
C71 C76 K1 C64 -174.6(5) . .
C77 C76 K1 C64 -58.9(12) . .
C77 C76 K1 C71 115.7(14) . .
C75 C76 K1 C73 -60.96(11) . .
C71 C76 K1 C73 64.12(11) . .
C77 C76 K1 C73 179.8(14) . .
C75 C76 K1 N1 -24.8(6) . .
C71 C76 K1 N1 100.3(6) . .
C77 C76 K1 N1 -144.0(11) . .
C75 C76 K1 C16 171.3(5) . 2_665
C71 C76 K1 C16 -63.7(5) . 2_665
C77 C76 K1 C16 52.1(12) . 2_665
C71 C76 K1 C74 96.19(12) . .
C77 C76 K1 C74 -148.1(14) . .
C73 C74 K1 N4 150.9(4) . .
C75 C74 K1 N4 -83.0(4) . .
C73 C74 K1 N2 79.7(3) . .
C75 C74 K1 N2 -154.2(3) . .
C73 C74 K1 C7 51.1(4) . .
C75 C74 K1 C7 177.1(4) . .
C73 C74 K1 N3 155.7(3) . .
C75 C74 K1 N3 -78.3(3) . .
C75 C74 K1 C72 95.52(13) . .
C73 C74 K1 C64 172.2(4) . .
C75 C74 K1 C64 -61.7(4) . .
C73 C74 K1 C71 -64.15(12) . .
C75 C74 K1 C71 61.89(12) . .
C73 C74 K1 N1 85.9(4) . .
C75 C74 K1 N1 -148.1(4) . .
C73 C74 K1 C16 -71.3(7) . 2_665
C75 C74 K1 C16 54.7(6) . 2_665
N5 C49 K2 N8 -4.8(4) . .
C48 C49 K2 N8 114.6(4) . .
P4 C49 K2 N8 -117.2(3) . .
C48 C49 K2 N5 119.4(6) . .
P4 C49 K2 N5 -112.4(6) . .
N5 C49 K2 C35 -0.6(5) . .
C48 C49 K2 C35 118.8(4) . .
P4 C49 K2 C35 -113.0(3) . .
N5 C49 K2 N7 -28.8(4) . .
C48 C49 K2 N7 90.6(4) . .
P4 C49 K2 N7 -141.2(3) . .
N5 C49 K2 C26 -110.9(6) . 3_745
C48 C49 K2 C26 8.4(6) . 3_745
P4 C49 K2 C26 136.6(5) . 3_745
N5 C49 K2 C27 -121.2(7) . 3_745
C48 C49 K2 C27 -1.9(8) . 3_745
P4 C49 K2 C27 126.3(7) . 3_745
N5 C49 K2 C69 89.0(5) . 3_745
C48 C49 K2 C69 -151.6(4) . 3_745
P4 C49 K2 C69 -23.4(4) . 3_745
N5 C49 K2 C25 -125.9(6) . 3_745
C48 C49 K2 C25 -6.5(6) . 3_745
P4 C49 K2 C25 121.7(5) . 3_745
N5 C49 K2 C28 -155.1(10) . 3_745
C48 C49 K2 C28 -35.8(10) . 3_745
P4 C49 K2 C28 92.4(10) . 3_745
N5 C49 K2 C48 -119.4(6) . .
P4 C49 K2 C48 128.2(5) . .
N5 C49 K2 C24 -149.1(7) . 3_745
C48 C49 K2 C24 -29.7(7) . 3_745
P4 C49 K2 C24 98.4(7) . 3_745
C34 C35 K2 N8 115.8(7) . .
P3 C35 K2 N8 -114.8(6) . .
N8 C35 K2 C49 -10.0(5) . .
C34 C35 K2 C49 105.8(5) . .
P3 C35 K2 C49 -124.8(3) . .
N8 C35 K2 N5 -10.2(4) . .
C34 C35 K2 N5 105.6(5) . .
P3 C35 K2 N5 -125.0(3) . .
N8 C35 K2 N7 35.6(4) . .
C34 C35 K2 N7 151.4(6) . .
P3 C35 K2 N7 -79.2(3) . .
N8 C35 K2 C26 109.6(6) . 3_745
C34 C35 K2 C26 -134.6(6) . 3_745
P3 C35 K2 C26 -5.2(5) . 3_745
N8 C35 K2 C27 133.4(7) . 3_745
C34 C35 K2 C27 -110.7(7) . 3_745
P3 C35 K2 C27 18.6(6) . 3_745
N8 C35 K2 C69 -114.7(5) . 3_745
C34 C35 K2 C69 1.1(5) . 3_745
P3 C35 K2 C69 130.5(3) . 3_745
N8 C35 K2 C25 98.5(6) . 3_745
C34 C35 K2 C25 -145.7(6) . 3_745
P3 C35 K2 C25 -16.4(5) . 3_745
N8 C35 K2 C28 151.1(8) . 3_745
C34 C35 K2 C28 -93.1(9) . 3_745
P3 C35 K2 C28 36.3(8) . 3_745
N8 C35 K2 C48 15.1(5) . .
C34 C35 K2 C48 130.9(5) . .
P3 C35 K2 C48 -99.7(2) . .
N8 C35 K2 C24 115.3(8) . 3_745
C34 C35 K2 C24 -128.9(8) . 3_745
P3 C35 K2 C24 0.5(8) . 3_745
C47 C48 K2 N8 -175.7(3) . .
C43 C48 K2 N8 58.8(3) . .
C49 C48 K2 N8 -65.5(4) . .
C47 C48 K2 C49 -110.2(5) . .
C43 C48 K2 C49 124.3(5) . .
C47 C48 K2 N5 -143.0(4) . .
C43 C48 K2 N5 91.4(3) . .
C49 C48 K2 N5 -32.8(4) . .
C47 C48 K2 C35 178.0(3) . .
C43 C48 K2 C35 52.4(3) . .
C49 C48 K2 C35 -71.8(4) . .
C47 C48 K2 N7 164.7(3) . .
C43 C48 K2 N7 39.1(3) . .
C49 C48 K2 N7 -85.2(4) . .
C47 C48 K2 C26 77.5(4) . 3_745
C43 C48 K2 C26 -48.0(4) . 3_745
C49 C48 K2 C26 -172.3(5) . 3_745
C47 C48 K2 C27 68.4(5) . 3_745
C43 C48 K2 C27 -57.1(5) . 3_745
C49 C48 K2 C27 178.6(6) . 3_745
C47 C48 K2 C69 -75.2(3) . 3_745
C43 C48 K2 C69 159.2(3) . 3_745
C49 C48 K2 C69 34.9(4) . 3_745
C47 C48 K2 C25 62.9(6) . 3_745
C43 C48 K2 C25 -62.6(6) . 3_745
C49 C48 K2 C25 173.1(7) . 3_745
C47 C48 K2 C28 43.1(8) . 3_745
C43 C48 K2 C28 -82.5(7) . 3_745
C49 C48 K2 C28 153.3(8) . 3_745
C47 C48 K2 C24 38.8(7) . 3_745
C43 C48 K2 C24 -86.7(7) . 3_745
C49 C48 K2 C24 149.0(8) . 3_745
C9 C8 N1 N2 -179.1(6) . .
P1 C8 N1 N2 0.1(7) . .
K1 C8 N1 N2 65.4(4) . .
C9 C8 N1 Sm1 -52(4) . .
P1 C8 N1 Sm1 127(4) . .
K1 C8 N1 Sm1 -168(4) . .
C9 C8 N1 K1 115.5(6) . .
P1 C8 N1 K1 -65.4(4) . .
N4 K1 N1 C8 -155.7(4) . .
N2 K1 N1 C8 114.3(5) . .
C7 K1 N1 C8 78.9(4) . .
N3 K1 N1 C8 177.9(4) . .
C72 K1 N1 C8 -11.2(5) . .
C64 K1 N1 C8 -141.9(4) . .
C71 K1 N1 C8 -19.4(5) . .
C73 K1 N1 C8 -28.0(5) . .
C76 K1 N1 C8 -55.1(5) . .
C16 K1 N1 C8 102.1(5) 2_665 .
C74 K1 N1 C8 -52.4(5) . .
N4 K1 N1 N2 89.9(3) . .
C7 K1 N1 N2 -35.5(3) . .
N3 K1 N1 N2 63.6(3) . .
C72 K1 N1 N2 -125.5(3) . .
C64 K1 N1 N2 103.8(3) . .
C71 K1 N1 N2 -133.7(3) . .
C73 K1 N1 N2 -142.3(4) . .
C76 K1 N1 N2 -169.5(3) . .
C16 K1 N1 N2 -12.3(4) 2_665 .
C74 K1 N1 N2 -166.7(4) . .
N4 K1 N1 Sm1 22.77(14) . .
N2 K1 N1 Sm1 -67.2(3) . .
C7 K1 N1 Sm1 -102.7(3) . .
N3 K1 N1 Sm1 -3.62(14) . .
C72 K1 N1 Sm1 167.3(2) . .
C64 K1 N1 Sm1 36.62(17) . .
C71 K1 N1 Sm1 159.1(2) . .
C73 K1 N1 Sm1 150.5(3) . .
C76 K1 N1 Sm1 123.3(2) . .
C16 K1 N1 Sm1 -79.5(3) 2_665 .
C74 K1 N1 Sm1 126.1(3) . .
C6 C7 N2 N1 -177.8(5) . .
P1 C7 N2 N1 0.1(7) . .
K1 C7 N2 N1 -83.9(4) . .
C6 C7 N2 Sm1 29(2) . .
P1 C7 N2 Sm1 -153.3(16) . .
K1 C7 N2 Sm1 122.8(19) . .
C6 C7 N2 K1 -94.0(6) . .
P1 C7 N2 K1 83.9(4) . .
C8 N1 N2 C7 -0.1(8) . .
Sm1 N1 N2 C7 -174.2(5) . .
K1 N1 N2 C7 79.9(5) . .
C8 N1 N2 Sm1 174.1(5) . .
K1 N1 N2 Sm1 -105.94(13) . .
C8 N1 N2 K1 -80.0(5) . .
Sm1 N1 N2 K1 105.94(13) . .
N4 K1 N2 C7 165.7(4) . .
N3 K1 N2 C7 137.9(4) . .
C72 K1 N2 C7 -49.9(5) . .
C64 K1 N2 C7 168.9(4) . .
C71 K1 N2 C7 -41.7(5) . .
C73 K1 N2 C7 -74.5(5) . .
N1 K1 N2 C7 -115.2(5) . .
C76 K1 N2 C7 -93.6(6) . .
C16 K1 N2 C7 55.5(4) 2_665 .
C74 K1 N2 C7 -100.3(4) . .
N4 K1 N2 N1 -79.0(3) . .
C7 K1 N2 N1 115.2(5) . .
N3 K1 N2 N1 -106.9(3) . .
C72 K1 N2 N1 65.3(4) . .
C64 K1 N2 N1 -75.9(3) . .
C71 K1 N2 N1 73.5(4) . .
C73 K1 N2 N1 40.7(4) . .
C76 K1 N2 N1 21.6(7) . .
C16 K1 N2 N1 170.7(3) 2_665 .
C74 K1 N2 N1 14.9(4) . .
N4 K1 N2 Sm1 -3.18(14) . .
C7 K1 N2 Sm1 -168.9(4) . .
N3 K1 N2 Sm1 -31.03(15) . .
C72 K1 N2 Sm1 141.2(3) . .
C64 K1 N2 Sm1 -0.08(19) . .
C71 K1 N2 Sm1 149.3(3) . .
C73 K1 N2 Sm1 116.6(3) . .
N1 K1 N2 Sm1 75.9(3) . .
C76 K1 N2 Sm1 97.4(5) . .
C16 K1 N2 Sm1 -113.5(2) 2_665 .
C74 K1 N2 Sm1 90.8(3) . .
C62 C63 N3 N4 -178.8(5) . .
P5 C63 N3 N4 -0.5(7) . .
K1 C63 N3 N4 68.5(4) . .
C62 C63 N3 Sm1 -70(3) . .
P5 C63 N3 Sm1 108(2) . .
K1 C63 N3 Sm1 177(3) . .
C62 C63 N3 K1 112.7(5) . .
P5 C63 N3 K1 -69.0(4) . .
N4 K1 N3 C63 114.1(5) . .
N2 K1 N3 C63 -152.3(4) . .
C7 K1 N3 C63 -135.5(4) . .
C72 K1 N3 C63 74.8(18) . .
C64 K1 N3 C63 78.1(4) . .
C71 K1 N3 C63 27.3(6) . .
C73 K1 N3 C63 123.2(5) . .
N1 K1 N3 C63 -177.0(4) . .
C76 K1 N3 C63 47.8(5) . .
C16 K1 N3 C63 -41.0(4) 2_665 .
C74 K1 N3 C63 103.4(5) . .
N2 K1 N3 N4 93.6(3) . .
C7 K1 N3 N4 110.4(3) . .
C72 K1 N3 N4 -39.3(18) . .
C64 K1 N3 N4 -36.0(3) . .
C71 K1 N3 N4 -86.8(4) . .
C73 K1 N3 N4 9.1(5) . .
N1 K1 N3 N4 68.8(3) . .
C76 K1 N3 N4 -66.3(4) . .
C16 K1 N3 N4 -155.1(3) 2_665 .
C74 K1 N3 N4 -10.7(5) . .
N4 K1 N3 Sm1 -65.3(3) . .
N2 K1 N3 Sm1 28.26(14) . .
C7 K1 N3 Sm1 45.05(18) . .
C72 K1 N3 Sm1 -104.6(18) . .
C64 K1 N3 Sm1 -101.4(2) . .
C71 K1 N3 Sm1 -152.1(3) . .
C73 K1 N3 Sm1 -56.3(4) . .
N1 K1 N3 Sm1 3.50(14) . .
C76 K1 N3 Sm1 -131.7(3) . .
C16 K1 N3 Sm1 139.6(2) 2_665 .
C74 K1 N3 Sm1 -76.0(3) . .
C65 C64 N4 N3 178.3(5) . .
P5 C64 N4 N3 -0.9(6) . .
K1 C64 N4 N3 -83.2(4) . .
C65 C64 N4 Sm1 41.6(17) . .
P5 C64 N4 Sm1 -137.5(13) . .
K1 C64 N4 Sm1 140.2(15) . .
C65 C64 N4 K1 -98.6(5) . .
P5 C64 N4 K1 82.3(3) . .
C63 N3 N4 C64 0.9(7) . .
Sm1 N3 N4 C64 -169.0(5) . .
K1 N3 N4 C64 84.3(4) . .
C63 N3 N4 Sm1 169.9(5) . .
K1 N3 N4 Sm1 -106.73(13) . .
C63 N3 N4 K1 -83.4(5) . .
Sm1 N3 N4 K1 106.73(13) . .
N2 K1 N4 C64 172.7(4) . .
C7 K1 N4 C64 178.7(4) . .
N3 K1 N4 C64 -112.8(5) . .
C72 K1 N4 C64 56.8(6) . .
C71 K1 N4 C64 15.1(5) . .
C73 K1 N4 C64 72.8(4) . .
N1 K1 N4 C64 145.8(4) . .
C76 K1 N4 C64 14.6(4) . .
C16 K1 N4 C64 -85.0(4) 2_665 .
C74 K1 N4 C64 58.7(4) . .
N2 K1 N4 N3 -74.5(3) . .
C7 K1 N4 N3 -68.5(3) . .
C72 K1 N4 N3 169.6(5) . .
C64 K1 N4 N3 112.8(5) . .
C71 K1 N4 N3 127.9(4) . .
C73 K1 N4 N3 -174.5(3) . .
N1 K1 N4 N3 -101.4(3) . .
C76 K1 N4 N3 127.4(3) . .
C16 K1 N4 N3 27.8(4) 2_665 .
C74 K1 N4 N3 171.4(4) . .
N2 K1 N4 Sm1 3.14(14) . .
C7 K1 N4 Sm1 9.2(2) . .
N3 K1 N4 Sm1 77.7(3) . .
C72 K1 N4 Sm1 -112.7(4) . .
C64 K1 N4 Sm1 -169.6(4) . .
C71 K1 N4 Sm1 -154.4(3) . .
C73 K1 N4 Sm1 -96.8(3) . .
N1 K1 N4 Sm1 -23.71(15) . .
C76 K1 N4 Sm1 -154.9(2) . .
C16 K1 N4 Sm1 105.5(2) 2_665 .
C74 K1 N4 Sm1 -110.9(3) . .
C48 C49 N5 N6 -179.5(5) . .
P4 C49 N5 N6 1.6(7) . .
K2 C49 N5 N6 -89.8(5) . .
C48 C49 N5 Sm1 14(3) . .
P4 C49 N5 Sm1 -165(3) . .
K2 C49 N5 Sm1 104(3) . .
C48 C49 N5 K2 -89.7(6) . .
P4 C49 N5 K2 91.4(4) . .
N8 K2 N5 C49 174.5(5) . .
C35 K2 N5 C49 179.4(5) . .
N7 K2 N5 C49 146.2(5) . .
C26 K2 N5 C49 81.6(8) 3_745 .
C27 K2 N5 C49 88.1(10) 3_745 .
C69 K2 N5 C49 -97.6(5) 3_745 .
C25 K2 N5 C49 58.5(8) 3_745 .
C28 K2 N5 C49 46.5(16) 3_745 .
C48 K2 N5 C49 32.8(4) . .
C24 K2 N5 C49 34.7(9) 3_745 .
N8 K2 N5 N6 -72.9(3) . .
C49 K2 N5 N6 112.6(6) . .
C35 K2 N5 N6 -68.0(3) . .
N7 K2 N5 N6 -101.2(3) . .
C26 K2 N5 N6 -165.8(7) 3_745 .
C27 K2 N5 N6 -159.3(9) 3_745 .
C69 K2 N5 N6 15.0(4) 3_745 .
C25 K2 N5 N6 171.1(7) 3_745 .
C28 K2 N5 N6 159.2(16) 3_745 .
C48 K2 N5 N6 145.4(4) . .
C24 K2 N5 N6 147.3(8) 3_745 .
N8 K2 N5 Sm1 4.04(17) . .
C49 K2 N5 Sm1 -170.4(5) . .
C35 K2 N5 Sm1 9.0(2) . .
N7 K2 N5 Sm1 -24.21(16) . .
C26 K2 N5 Sm1 -88.9(7) 3_745 .
C27 K2 N5 Sm1 -82.3(9) 3_745 .
C69 K2 N5 Sm1 91.9(3) 3_745 .
C25 K2 N5 Sm1 -111.9(6) 3_745 .
C28 K2 N5 Sm1 -123.9(16) 3_745 .
C48 K2 N5 Sm1 -137.6(3) . .
C24 K2 N5 Sm1 -135.7(7) 3_745 .
C51 C50 N6 N5 -176.2(7) . .
P4 C50 N6 N5 2.5(7) . .
C51 C50 N6 Sm1 -31(4) . .
P4 C50 N6 Sm1 147(3) . .
C49 N5 N6 C50 -2.7(8) . .
Sm1 N5 N6 C50 175.1(5) . .
K2 N5 N6 C50 -76.5(5) . .
C49 N5 N6 Sm1 -177.7(5) . .
K2 N5 N6 Sm1 108.48(16) . .
C37 C36 N7 N8 -178.3(5) . .
P3 C36 N7 N8 -1.9(7) . .
K2 C36 N7 N8 65.1(4) . .
C37 C36 N7 Sm1 -70(2) . .
P3 C36 N7 Sm1 107(2) . .
K2 C36 N7 Sm1 174(2) . .
C37 C36 N7 K2 116.6(5) . .
P3 C36 N7 K2 -67.0(4) . .
N8 K2 N7 C36 114.7(5) . .
C49 K2 N7 C36 -145.0(4) . .
N5 K2 N7 C36 -158.8(4) . .
C35 K2 N7 C36 78.1(4) . .
C26 K2 N7 C36 -30.1(7) 3_745 .
C27 K2 N7 C36 -9.2(8) 3_745 .
C69 K2 N7 C36 112.6(4) 3_745 .
C25 K2 N7 C36 -51.5(7) 3_745 .
C28 K2 N7 C36 -7.2(9) 3_745 .
C48 K2 N7 C36 -119.8(4) . .
C24 K2 N7 C36 -55.0(8) 3_745 .
C49 K2 N7 N8 100.3(3) . .
N5 K2 N7 N8 86.5(3) . .
C35 K2 N7 N8 -36.6(3) . .
C26 K2 N7 N8 -144.9(7) 3_745 .
C27 K2 N7 N8 -124.0(7) 3_745 .
C69 K2 N7 N8 -2.1(4) 3_745 .
C25 K2 N7 N8 -166.2(6) 3_745 .
C28 K2 N7 N8 -121.9(8) 3_745 .
C48 K2 N7 N8 125.5(3) . .
C24 K2 N7 N8 -169.8(7) 3_745 .
N8 K2 N7 Sm1 -63.8(3) . .
C49 K2 N7 Sm1 36.4(2) . .
N5 K2 N7 Sm1 22.67(15) . .
C35 K2 N7 Sm1 -100.4(3) . .
C26 K2 N7 Sm1 151.3(6) 3_745 .
C27 K2 N7 Sm1 172.2(7) 3_745 .
C69 K2 N7 Sm1 -66.0(3) 3_745 .
C25 K2 N7 Sm1 130.0(6) 3_745 .
C28 K2 N7 Sm1 174.2(8) 3_745 .
C48 K2 N7 Sm1 61.63(17) . .
C24 K2 N7 Sm1 126.4(7) 3_745 .
C34 C35 N8 N7 174.8(6) . .
P3 C35 N8 N7 -2.8(7) . .
K2 C35 N8 N7 -85.0(4) . .
C34 C35 N8 Sm1 55(2) . .
P3 C35 N8 Sm1 -122.3(16) . .
K2 C35 N8 Sm1 155.6(17) . .
C34 C35 N8 K2 -100.2(6) . .
P3 C35 N8 K2 82.1(4) . .
C36 N7 N8 C35 3.0(7) . .
Sm1 N7 N8 C35 -164.5(5) . .
K2 N7 N8 C35 81.6(4) . .
C36 N7 N8 Sm1 167.5(5) . .
K2 N7 N8 Sm1 -113.96(15) . .
C36 N7 N8 K2 -78.6(5) . .
Sm1 N7 N8 K2 113.96(15) . .
C49 K2 N8 C35 170.6(5) . .
N5 K2 N8 C35 168.2(5) . .
N7 K2 N8 C35 -112.9(6) . .
C26 K2 N8 C35 -76.0(7) 3_745 .
C27 K2 N8 C35 -51.1(8) 3_745 .
C69 K2 N8 C35 65.2(5) 3_745 .
C25 K2 N8 C35 -96.9(8) 3_745 .
C28 K2 N8 C35 -37.5(10) 3_745 .
C48 K2 N8 C35 -166.8(4) . .
C24 K2 N8 C35 -97.7(10) 3_745 .
C49 K2 N8 N7 -76.5(3) . .
N5 K2 N8 N7 -78.8(3) . .
C35 K2 N8 N7 112.9(6) . .
C26 K2 N8 N7 36.9(7) 3_745 .
C27 K2 N8 N7 61.8(7) 3_745 .
C69 K2 N8 N7 178.1(3) 3_745 .
C25 K2 N8 N7 16.0(7) 3_745 .
C28 K2 N8 N7 75.4(9) 3_745 .
C48 K2 N8 N7 -53.9(3) . .
C24 K2 N8 N7 15.2(10) 3_745 .
C49 K2 N8 Sm1 -1.7(2) . .
N5 K2 N8 Sm1 -4.08(17) . .
C35 K2 N8 Sm1 -172.3(6) . .
N7 K2 N8 Sm1 74.8(3) . .
C26 K2 N8 Sm1 111.7(6) 3_745 .
C27 K2 N8 Sm1 136.6(7) 3_745 .
C69 K2 N8 Sm1 -107.1(2) 3_745 .
C25 K2 N8 Sm1 90.8(7) 3_745 .
C28 K2 N8 Sm1 150.2(9) 3_745 .
C48 K2 N8 Sm1 20.9(2) . .
C24 K2 N8 Sm1 90.0(9) 3_745 .
C23 C22 N9 N10 176.4(5) . .
P2 C22 N9 N10 -1.2(7) . .
C23 C22 N9 Sm1 11(7) . .
P2 C22 N9 Sm1 -167(6) . .
C20 C21 N10 N9 178.3(5) . .
P2 C21 N10 N9 -1.9(7) . .
C20 C21 N10 Sm1 3(3) . .
P2 C21 N10 Sm1 -177(2) . .
C22 N9 N10 C21 2.0(7) . .
Sm1 N9 N10 C21 -179.0(5) . .
C22 N9 N10 Sm1 -179.0(5) . .
N2 C7 P1 C8 0.0(5) . .
C6 C7 P1 C8 177.7(6) . .
K1 C7 P1 C8 72.0(3) . .
N2 C7 P1 K1 -72.0(4) . .
C6 C7 P1 K1 105.7(6) . .
N1 C8 P1 C7 0.0(6) . .
C9 C8 P1 C7 179.1(7) . .
K1 C8 P1 C7 -59.1(2) . .
N1 C8 P1 K1 59.1(5) . .
C9 C8 P1 K1 -121.8(7) . .
N4 K1 P1 C7 57.9(3) . .
N2 K1 P1 C7 33.5(3) . .
N3 K1 P1 C7 30.8(3) . .
C72 K1 P1 C7 -155.6(3) . .
C64 K1 P1 C7 72.1(3) . .
C71 K1 P1 C7 -147.9(3) . .
C73 K1 P1 C7 179.0(4) . .
N1 K1 P1 C7 68.6(3) . .
C76 K1 P1 C7 -165.6(3) . .
C16 K1 P1 C7 -68.0(3) 2_665 .
C74 K1 P1 C7 162.3(3) . .
N4 K1 P1 C8 -38.3(3) . .
N2 K1 P1 C8 -62.7(3) . .
C7 K1 P1 C8 -96.2(3) . .
N3 K1 P1 C8 -65.4(3) . .
C72 K1 P1 C8 108.2(3) . .
C64 K1 P1 C8 -24.1(3) . .
C71 K1 P1 C8 116.0(3) . .
C73 K1 P1 C8 82.8(4) . .
N1 K1 P1 C8 -27.6(3) . .
C76 K1 P1 C8 98.2(3) . .
C16 K1 P1 C8 -164.2(3) 2_665 .
C74 K1 P1 C8 66.1(3) . .
N9 C22 P2 C21 0.2(5) . .
C23 C22 P2 C21 -177.3(6) . .
N10 C21 P2 C22 0.9(5) . .
C20 C21 P2 C22 -179.2(6) . .
N7 C36 P3 C35 0.3(5) . .
C37 C36 P3 C35 176.3(6) . .
K2 C36 P3 C35 -60.8(2) . .
N7 C36 P3 K2 61.1(5) . .
C37 C36 P3 K2 -122.9(6) . .
N8 C35 P3 C36 1.5(5) . .
C34 C35 P3 C36 -176.0(6) . .
K2 C35 P3 C36 72.0(3) . .
N8 C35 P3 K2 -70.5(4) . .
C34 C35 P3 K2 112.1(7) . .
N8 K2 P3 C36 -62.7(3) . .
C49 K2 P3 C36 -27.6(3) . .
N5 K2 P3 C36 -39.5(3) . .
C35 K2 P3 C36 -95.7(3) . .
N7 K2 P3 C36 -27.6(3) . .
C26 K2 P3 C36 78.9(5) 3_745 .
C27 K2 P3 C36 104.4(7) 3_745 .
C69 K2 P3 C36 -146.6(3) 3_745 .
C25 K2 P3 C36 70.3(4) 3_745 .
C28 K2 P3 C36 117.8(7) 3_745 .
C48 K2 P3 C36 1.5(3) . .
C24 K2 P3 C36 84.7(5) 3_745 .
N8 K2 P3 C35 32.9(3) . .
C49 K2 P3 C35 68.1(3) . .
N5 K2 P3 C35 56.2(3) . .
N7 K2 P3 C35 68.1(3) . .
C26 K2 P3 C35 174.6(5) 3_745 .
C27 K2 P3 C35 -159.9(7) 3_745 .
C69 K2 P3 C35 -51.0(3) 3_745 .
C25 K2 P3 C35 166.0(4) 3_745 .
C28 K2 P3 C35 -146.5(7) 3_745 .
C48 K2 P3 C35 97.2(3) . .
C24 K2 P3 C35 -179.7(5) 3_745 .
N5 C49 P4 C50 -0.2(5) . .
C48 C49 P4 C50 -178.9(6) . .
K2 C49 P4 C50 83.6(3) . .
N5 C49 P4 K2 -83.8(5) . .
C48 C49 P4 K2 97.5(6) . .
N6 C50 P4 C49 -1.3(5) . .
C51 C50 P4 C49 177.4(8) . .
N6 C50 P4 K2 55.8(5) . .
C51 C50 P4 K2 -125.5(7) . .
N8 K2 P4 C49 63.5(3) . .
N5 K2 P4 C49 34.0(3) . .
C35 K2 P4 C49 79.4(3) . .
N7 K2 P4 C49 39.2(3) . .
C26 K2 P4 C49 -58.3(4) 3_745 .
C27 K2 P4 C49 -89.1(10) 3_745 .
C69 K2 P4 C49 157.1(3) 3_745 .
C25 K2 P4 C49 -63.7(4) 3_745 .
C28 K2 P4 C49 -114.2(9) 3_745 .
C48 K2 P4 C49 -26.4(3) . .
C24 K2 P4 C49 -85.1(6) 3_745 .
N8 K2 P4 C50 -27.5(3) . .
C49 K2 P4 C50 -91.0(4) . .
N5 K2 P4 C50 -57.0(3) . .
C35 K2 P4 C50 -11.6(3) . .
N7 K2 P4 C50 -51.8(3) . .
C26 K2 P4 C50 -149.3(4) 3_745 .
C27 K2 P4 C50 179.9(10) 3_745 .
C69 K2 P4 C50 66.1(3) 3_745 .
C25 K2 P4 C50 -154.7(4) 3_745 .
C28 K2 P4 C50 154.8(9) 3_745 .
C48 K2 P4 C50 -117.4(3) . .
C24 K2 P4 C50 -176.1(6) 3_745 .
N4 C64 P5 C63 0.5(5) . .
C65 C64 P5 C63 -178.6(6) . .
K1 C64 P5 C63 67.6(2) . .
N4 C64 P5 K1 -67.0(4) . .
C65 C64 P5 K1 113.9(6) . .
N3 C63 P5 C64 0.0(5) . .
C62 C63 P5 C64 178.2(6) . .
K1 C63 P5 C64 -58.5(2) . .
N3 C63 P5 K1 58.4(4) . .
C62 C63 P5 K1 -123.3(6) . .
N4 K1 P5 C64 33.1(3) . .
N2 K1 P5 C64 62.3(3) . .
C7 K1 P5 C64 80.5(3) . .
N3 K1 P5 C64 69.9(3) . .
C72 K1 P5 C64 -102.9(4) . .
C71 K1 P5 C64 -114.6(3) . .
C73 K1 P5 C64 -70.9(4) . .
N1 K1 P5 C64 36.5(3) . .
C76 K1 P5 C64 -100.7(3) . .
C16 K1 P5 C64 171.2(3) 2_665 .
C74 K1 P5 C64 -62.1(3) . .
N4 K1 P5 C63 -65.4(3) . .
N2 K1 P5 C63 -36.2(2) . .
C7 K1 P5 C63 -18.0(3) . .
N3 K1 P5 C63 -28.6(3) . .
C72 K1 P5 C63 158.6(4) . .
C64 K1 P5 C63 -98.5(3) . .
C71 K1 P5 C63 146.9(3) . .
C73 K1 P5 C63 -169.4(3) . .
N1 K1 P5 C63 -62.0(2) . .
C76 K1 P5 C63 160.8(3) . .
C16 K1 P5 C63 72.7(3) 2_665 .
C74 K1 P5 C63 -160.6(3) . .
C21 N10 Sm1 N2 -45(2) . .
N9 N10 Sm1 N2 139.8(3) . .
C21 N10 Sm1 N5 99(2) . .
N9 N10 Sm1 N5 -76.1(4) . .
C21 N10 Sm1 N9 175(3) . .
C21 N10 Sm1 N4 -125(2) . .
N9 N10 Sm1 N4 59.7(3) . .
C21 N10 Sm1 N6 131(2) . .
N9 N10 Sm1 N6 -44.2(4) . .
C21 N10 Sm1 N8 69(2) . .
N9 N10 Sm1 N8 -106.6(3) . .
C21 N10 Sm1 N1 -43(2) . .
N9 N10 Sm1 N1 141.6(3) . .
C21 N10 Sm1 N7 40(2) . .
N9 N10 Sm1 N7 -135.5(3) . .
C21 N10 Sm1 N3 -135(2) . .
N9 N10 Sm1 N3 49.9(3) . .
C21 N10 Sm1 K1 -87(2) . .
N9 N10 Sm1 K1 97.2(3) . .
C7 N2 Sm1 N10 158.8(18) . .
N1 N2 Sm1 N10 3.5(4) . .
K1 N2 Sm1 N10 -80.7(2) . .
C7 N2 Sm1 N5 -1.9(19) . .
N1 N2 Sm1 N5 -157.1(3) . .
K1 N2 Sm1 N5 118.71(18) . .
C7 N2 Sm1 N9 -169.9(18) . .
N1 N2 Sm1 N9 34.9(4) . .
K1 N2 Sm1 N9 -49.3(3) . .
C7 N2 Sm1 N4 -117.1(19) . .
N1 N2 Sm1 N4 87.7(3) . .
K1 N2 Sm1 N4 3.46(16) . .
C7 N2 Sm1 N6 -17.4(19) . .
N1 N2 Sm1 N6 -172.6(3) . .
K1 N2 Sm1 N6 103.2(2) . .
C7 N2 Sm1 N8 73.9(19) . .
N1 N2 Sm1 N8 -81.3(3) . .
K1 N2 Sm1 N8 -165.55(16) . .
C7 N2 Sm1 N1 155(2) . .
K1 N2 Sm1 N1 -84.2(3) . .
C7 N2 Sm1 N7 75.5(19) . .
N1 N2 Sm1 N7 -79.7(3) . .
K1 N2 Sm1 N7 -163.87(18) . .
C7 N2 Sm1 N3 -86.6(19) . .
N1 N2 Sm1 N3 118.1(3) . .
K1 N2 Sm1 N3 33.95(16) . .
C7 N2 Sm1 K1 -120.6(19) . .
N1 N2 Sm1 K1 84.2(3) . .
C49 N5 Sm1 N10 -135(3) . .
N6 N5 Sm1 N10 58.0(5) . .
K2 N5 Sm1 N10 -34.2(4) . .
C49 N5 Sm1 N2 14(3) . .
N6 N5 Sm1 N2 -153.0(3) . .
K2 N5 Sm1 N2 114.83(19) . .
C49 N5 Sm1 N9 -176(3) . .
N6 N5 Sm1 N9 17.0(4) . .
K2 N5 Sm1 N9 -75.2(3) . .
C49 N5 Sm1 N4 95(3) . .
N6 N5 Sm1 N4 -71.7(3) . .
K2 N5 Sm1 N4 -163.80(16) . .
C49 N5 Sm1 N6 167(3) . .
K2 N5 Sm1 N6 -92.1(3) . .
C49 N5 Sm1 N8 -105(3) . .
N6 N5 Sm1 N8 87.8(3) . .
K2 N5 Sm1 N8 -4.35(18) . .
C49 N5 Sm1 N1 1(3) . .
N6 N5 Sm1 N1 -166.3(3) . .
K2 N5 Sm1 N1 101.6(2) . .
C49 N5 Sm1 N7 -74(3) . .
N6 N5 Sm1 N7 119.5(3) . .
K2 N5 Sm1 N7 27.34(18) . .
C49 N5 Sm1 N3 91(3) . .
N6 N5 Sm1 N3 -76.0(3) . .
K2 N5 Sm1 N3 -168.11(19) . .
C49 N5 Sm1 K1 52(3) . .
N6 N5 Sm1 K1 -115.1(3) . .
K2 N5 Sm1 K1 152.73(12) . .
C22 N9 Sm1 N10 166(7) . .
C22 N9 Sm1 N2 105(7) . .
N10 N9 Sm1 N2 -60.5(4) . .
C22 N9 Sm1 N5 -59(7) . .
N10 N9 Sm1 N5 135.0(3) . .
C22 N9 Sm1 N4 50(7) . .
N10 N9 Sm1 N4 -115.8(3) . .
C22 N9 Sm1 N6 -50(7) . .
N10 N9 Sm1 N6 143.8(3) . .
C22 N9 Sm1 N8 -127(7) . .
N10 N9 Sm1 N8 67.0(3) . .
C22 N9 Sm1 N1 124(7) . .
N10 N9 Sm1 N1 -42.0(3) . .
C22 N9 Sm1 N7 -147(7) . .
N10 N9 Sm1 N7 47.1(3) . .
C22 N9 Sm1 N3 29(7) . .
N10 N9 Sm1 N3 -137.1(3) . .
C22 N9 Sm1 K1 74(7) . .
N10 N9 Sm1 K1 -92.2(3) . .
C64 N4 Sm1 N10 -22.9(15) . .
N3 N4 Sm1 N10 -162.7(3) . .
K1 N4 Sm1 N10 115.56(19) . .
C64 N4 Sm1 N2 -142.0(15) . .
N3 N4 Sm1 N2 78.3(3) . .
K1 N4 Sm1 N2 -3.52(16) . .
C64 N4 Sm1 N5 131.2(14) . .
N3 N4 Sm1 N5 -8.5(3) . .
K1 N4 Sm1 N5 -90.3(2) . .
C64 N4 Sm1 N9 5.3(14) . .
N3 N4 Sm1 N9 -134.5(3) . .
K1 N4 Sm1 N9 143.8(2) . .
C64 N4 Sm1 N6 100.8(15) . .
N3 N4 Sm1 N6 -38.9(3) . .
K1 N4 Sm1 N6 -120.69(18) . .
C64 N4 Sm1 N8 12.6(17) . .
N3 N4 Sm1 N8 -127.2(4) . .
K1 N4 Sm1 N8 151.0(4) . .
C64 N4 Sm1 N1 -110.6(15) . .
N3 N4 Sm1 N1 109.6(3) . .
K1 N4 Sm1 N1 27.84(17) . .
C64 N4 Sm1 N7 -90.8(16) . .
N3 N4 Sm1 N7 129.4(6) . .
K1 N4 Sm1 N7 47.6(6) . .
C64 N4 Sm1 N3 139.8(16) . .
K1 N4 Sm1 N3 -81.8(3) . .
C64 N4 Sm1 K1 -138.5(15) . .
N3 N4 Sm1 K1 81.8(3) . .
C50 N6 Sm1 N10 68(3) . .
N5 N6 Sm1 N10 -145.0(3) . .
C50 N6 Sm1 N2 -116(3) . .
N5 N6 Sm1 N2 31.0(4) . .
C50 N6 Sm1 N5 -147(3) . .
C50 N6 Sm1 N9 47(3) . .
N5 N6 Sm1 N9 -166.8(3) . .
C50 N6 Sm1 N4 -28(3) . .
N5 N6 Sm1 N4 118.4(3) . .
C50 N6 Sm1 N8 128(3) . .
N5 N6 Sm1 N8 -85.1(3) . .
C50 N6 Sm1 N1 -123(3) . .
N5 N6 Sm1 N1 23.6(5) . .
C50 N6 Sm1 N7 155(3) . .
N5 N6 Sm1 N7 -58.4(3) . .
C50 N6 Sm1 N3 -47(3) . .
N5 N6 Sm1 N3 99.4(3) . .
C50 N6 Sm1 K1 -68(3) . .
N5 N6 Sm1 K1 78.5(3) . .
C35 N8 Sm1 N10 13.9(17) . .
N7 N8 Sm1 N10 -110.4(4) . .
K2 N8 Sm1 N10 167.5(3) . .
C35 N8 Sm1 N2 127.5(17) . .
N7 N8 Sm1 N2 3.3(4) . .
K2 N8 Sm1 N2 -78.9(2) . .
C35 N8 Sm1 N5 -149.0(18) . .
N7 N8 Sm1 N5 86.8(3) . .
K2 N8 Sm1 N5 4.6(2) . .
C35 N8 Sm1 N9 -16.5(18) . .
N7 N8 Sm1 N9 -140.8(3) . .
K2 N8 Sm1 N9 137.1(2) . .
C35 N8 Sm1 N4 -24(2) . .
N7 N8 Sm1 N4 -147.8(4) . .
K2 N8 Sm1 N4 130.1(3) . .
C35 N8 Sm1 N6 -116.8(18) . .
N7 N8 Sm1 N6 118.9(3) . .
K2 N8 Sm1 N6 36.8(2) . .
C35 N8 Sm1 N1 94.7(18) . .
N7 N8 Sm1 N1 -29.6(4) . .
K2 N8 Sm1 N1 -111.7(2) . .
C35 N8 Sm1 N7 124.2(19) . .
K2 N8 Sm1 N7 -82.2(3) . .
C35 N8 Sm1 N3 -105.7(18) . .
N7 N8 Sm1 N3 130.1(4) . .
K2 N8 Sm1 N3 47.9(5) . .
C35 N8 Sm1 K1 102.3(17) . .
N7 N8 Sm1 K1 -21.9(5) . .
K2 N8 Sm1 K1 -104.1(3) . .
C8 N1 Sm1 N10 54(4) . .
N2 N1 Sm1 N10 -176.9(3) . .
K1 N1 Sm1 N10 -113.41(17) . .
C8 N1 Sm1 N2 -129(4) . .
K1 N1 Sm1 N2 63.5(3) . .
C8 N1 Sm1 N5 -103(4) . .
N2 N1 Sm1 N5 26.4(4) . .
K1 N1 Sm1 N5 89.87(19) . .
C8 N1 Sm1 N9 75(4) . .
N2 N1 Sm1 N9 -156.3(3) . .
K1 N1 Sm1 N9 -92.84(17) . .
C8 N1 Sm1 N4 143(4) . .
N2 N1 Sm1 N4 -87.8(3) . .
K1 N1 Sm1 N4 -24.36(15) . .
C8 N1 Sm1 N6 -116(4) . .
N2 N1 Sm1 N6 12.6(5) . .
K1 N1 Sm1 N6 76.1(3) . .
C8 N1 Sm1 N8 -17(4) . .
N2 N1 Sm1 N8 112.5(3) . .
K1 N1 Sm1 N8 175.96(14) . .
C8 N1 Sm1 N7 -31(4) . .
N2 N1 Sm1 N7 97.7(3) . .
K1 N1 Sm1 N7 161.15(17) . .
C8 N1 Sm1 N3 172(4) . .
N2 N1 Sm1 N3 -59.4(3) . .
K1 N1 Sm1 N3 4.10(16) . .
C8 N1 Sm1 K1 168(4) . .
N2 N1 Sm1 K1 -63.5(3) . .
C36 N7 Sm1 N10 -49(2) . .
N8 N7 Sm1 N10 63.9(3) . .
K2 N7 Sm1 N10 124.55(19) . .
C36 N7 Sm1 N2 70(2) . .
N8 N7 Sm1 N2 -177.1(3) . .
K2 N7 Sm1 N2 -116.53(17) . .
C36 N7 Sm1 N5 161(2) . .
N8 N7 Sm1 N5 -86.1(3) . .
K2 N7 Sm1 N5 -25.49(16) . .
C36 N7 Sm1 N9 -72(2) . .
N8 N7 Sm1 N9 41.3(4) . .
K2 N7 Sm1 N9 101.85(18) . .
C36 N7 Sm1 N4 19(3) . .
N8 N7 Sm1 N4 132.4(6) . .
K2 N7 Sm1 N4 -167.0(5) . .
C36 N7 Sm1 N6 -172(2) . .
N8 N7 Sm1 N6 -59.1(3) . .
K2 N7 Sm1 N6 1.52(19) . .
C36 N7 Sm1 N8 -113(2) . .
K2 N7 Sm1 N8 60.6(3) . .
C36 N7 Sm1 N1 39(2) . .
N8 N7 Sm1 N1 152.1(3) . .
K2 N7 Sm1 N1 -147.29(18) . .
C36 N7 Sm1 N3 119(2) . .
N8 N7 Sm1 N3 -128.2(4) . .
K2 N7 Sm1 N3 -67.6(5) . .
C36 N7 Sm1 K1 57(2) . .
N8 N7 Sm1 K1 169.5(3) . .
K2 N7 Sm1 K1 -129.90(12) . .
C63 N3 Sm1 N10 -93(3) . .
N4 N3 Sm1 N10 19.6(4) . .
K1 N3 Sm1 N10 84.4(2) . .
C63 N3 Sm1 N2 152(3) . .
N4 N3 Sm1 N2 -96.1(3) . .
K1 N3 Sm1 N2 -31.31(16) . .
C63 N3 Sm1 N5 60(3) . .
N4 N3 Sm1 N5 172.3(3) . .
K1 N3 Sm1 N5 -122.97(17) . .
C63 N3 Sm1 N9 -69(3) . .
N4 N3 Sm1 N9 43.4(3) . .
K1 N3 Sm1 N9 108.19(18) . .
C63 N3 Sm1 N4 -112(3) . .
K1 N3 Sm1 N4 64.8(3) . .
C63 N3 Sm1 N6 29(3) . .
N4 N3 Sm1 N6 141.2(3) . .
K1 N3 Sm1 N6 -154.01(19) . .
C63 N3 Sm1 N8 18(3) . .
N4 N3 Sm1 N8 130.1(4) . .
K1 N3 Sm1 N8 -165.1(3) . .
C63 N3 Sm1 N1 179(100) . .
N4 N3 Sm1 N1 -69.0(3) . .
K1 N3 Sm1 N1 -4.24(17) . .
C63 N3 Sm1 N7 101(3) . .
N4 N3 Sm1 N7 -146.7(4) . .
K1 N3 Sm1 N7 -81.9(4) . .
C63 N3 Sm1 K1 -177(3) . .
N4 N3 Sm1 K1 -64.8(3) . .
N4 K1 Sm1 N10 -69.2(2) . .
N2 K1 Sm1 N10 116.0(2) . .
C7 K1 Sm1 N10 121.6(2) . .
N3 K1 Sm1 N10 -113.9(2) . .
C72 K1 Sm1 N10 51.2(3) . .
C64 K1 Sm1 N10 -64.05(19) . .
C71 K1 Sm1 N10 9.2(7) . .
C73 K1 Sm1 N10 36.7(3) . .
N1 K1 Sm1 N10 71.9(2) . .
C76 K1 Sm1 N10 -28.5(3) . .
C16 K1 Sm1 N10 -162.0(2) 2_665 .
C74 K1 Sm1 N10 10.9(3) . .
N4 K1 Sm1 N2 174.7(2) . .
C7 K1 Sm1 N2 5.5(2) . .
N3 K1 Sm1 N2 130.1(2) . .
C72 K1 Sm1 N2 -64.9(3) . .
C64 K1 Sm1 N2 179.9(2) . .
C71 K1 Sm1 N2 -106.8(7) . .
C73 K1 Sm1 N2 -79.4(3) . .
N1 K1 Sm1 N2 -44.1(2) . .
C76 K1 Sm1 N2 -144.6(3) . .
C16 K1 Sm1 N2 82.0(3) 2_665 .
C74 K1 Sm1 N2 -105.1(4) . .
N4 K1 Sm1 N5 106.7(2) . .
N2 K1 Sm1 N5 -68.0(2) . .
C7 K1 Sm1 N5 -62.5(2) . .
N3 K1 Sm1 N5 62.1(2) . .
C72 K1 Sm1 N5 -132.9(3) . .
C64 K1 Sm1 N5 111.89(19) . .
C71 K1 Sm1 N5 -174.8(7) . .
C73 K1 Sm1 N5 -147.4(3) . .
N1 K1 Sm1 N5 -112.2(2) . .
C76 K1 Sm1 N5 147.4(3) . .
C16 K1 Sm1 N5 13.9(2) 2_665 .
C74 K1 Sm1 N5 -173.2(3) . .
N4 K1 Sm1 N9 -36.3(2) . .
N2 K1 Sm1 N9 149.0(2) . .
C7 K1 Sm1 N9 154.5(2) . .
N3 K1 Sm1 N9 -80.9(2) . .
C72 K1 Sm1 N9 84.1(3) . .
C64 K1 Sm1 N9 -31.11(19) . .
C71 K1 Sm1 N9 42.2(7) . .
C73 K1 Sm1 N9 69.6(3) . .
N1 K1 Sm1 N9 104.8(2) . .
C76 K1 Sm1 N9 4.4(3) . .
C16 K1 Sm1 N9 -129.1(2) 2_665 .
C74 K1 Sm1 N9 43.8(3) . .
N2 K1 Sm1 N4 -174.7(2) . .
C7 K1 Sm1 N4 -169.2(2) . .
N3 K1 Sm1 N4 -44.6(2) . .
C72 K1 Sm1 N4 120.4(3) . .
C64 K1 Sm1 N4 5.2(2) . .
C71 K1 Sm1 N4 78.5(7) . .
C73 K1 Sm1 N4 105.9(3) . .
N1 K1 Sm1 N4 141.1(2) . .
C76 K1 Sm1 N4 40.7(3) . .
C16 K1 Sm1 N4 -92.8(3) 2_665 .
C74 K1 Sm1 N4 80.1(4) . .
N4 K1 Sm1 N6 74.1(2) . .
N2 K1 Sm1 N6 -100.7(2) . .
C7 K1 Sm1 N6 -95.1(2) . .
N3 K1 Sm1 N6 29.4(2) . .
C72 K1 Sm1 N6 -165.5(3) . .
C64 K1 Sm1 N6 79.2(2) . .
C71 K1 Sm1 N6 152.5(7) . .
C73 K1 Sm1 N6 180.0(3) . .
N1 K1 Sm1 N6 -144.8(2) . .
C76 K1 Sm1 N6 114.8(3) . .
C16 K1 Sm1 N6 -18.7(3) 2_665 .
C74 K1 Sm1 N6 154.2(4) . .
N4 K1 Sm1 N8 -150.9(3) . .
N2 K1 Sm1 N8 34.3(3) . .
C7 K1 Sm1 N8 39.9(3) . .
N3 K1 Sm1 N8 164.4(3) . .
C72 K1 Sm1 N8 -30.5(4) . .
C64 K1 Sm1 N8 -145.8(3) . .
C71 K1 Sm1 N8 -72.5(7) . .
C73 K1 Sm1 N8 -45.0(4) . .
N1 K1 Sm1 N8 -9.8(3) . .
C76 K1 Sm1 N8 -110.2(4) . .
C16 K1 Sm1 N8 116.3(3) 2_665 .
C74 K1 Sm1 N8 -70.8(4) . .
N4 K1 Sm1 N1 -141.1(2) . .
N2 K1 Sm1 N1 44.1(2) . .
C7 K1 Sm1 N1 49.7(2) . .
N3 K1 Sm1 N1 174.2(2) . .
C72 K1 Sm1 N1 -20.7(3) . .
C64 K1 Sm1 N1 -136.0(2) . .
C71 K1 Sm1 N1 -62.7(7) . .
C73 K1 Sm1 N1 -35.2(3) . .
C76 K1 Sm1 N1 -100.4(3) . .
C16 K1 Sm1 N1 126.1(3) 2_665 .
C74 K1 Sm1 N1 -61.0(4) . .
N4 K1 Sm1 N7 -164.9(2) . .
N2 K1 Sm1 N7 20.4(2) . .
C7 K1 Sm1 N7 25.9(2) . .
N3 K1 Sm1 N7 150.5(2) . .
C72 K1 Sm1 N7 -44.5(3) . .
C64 K1 Sm1 N7 -159.7(2) . .
C71 K1 Sm1 N7 -86.4(7) . .
C73 K1 Sm1 N7 -58.9(3) . .
N1 K1 Sm1 N7 -23.7(2) . .
C76 K1 Sm1 N7 -124.2(3) . .
C16 K1 Sm1 N7 102.4(2) 2_665 .
C74 K1 Sm1 N7 -84.7(4) . .
N4 K1 Sm1 N3 44.6(2) . .
N2 K1 Sm1 N3 -130.1(2) . .
C7 K1 Sm1 N3 -124.6(2) . .
C72 K1 Sm1 N3 165.0(3) . .
C64 K1 Sm1 N3 49.8(2) . .
C71 K1 Sm1 N3 123.1(7) . .
C73 K1 Sm1 N3 150.5(3) . .
N1 K1 Sm1 N3 -174.2(2) . .
C76 K1 Sm1 N3 85.3(3) . .
C16 K1 Sm1 N3 -48.1(2) 2_665 .
C74 K1 Sm1 N3 124.8(4) . .
