#------------------------------------------------------------------------------
#$Date: 2025-08-21 03:19:08 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301842 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/50/51/4505116.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_4505116
loop_
_publ_author_name
'Kawai, Hidetoshi'
'Takeda, Takashi'
'Fujiwara, Kenshu'
'Inabe, Tamotsu'
'Suzuki, Takanori'
_publ_section_title
;
 Exceptionally Large Difference in Bond Length among Conformational
 Isomorphs of a Hexaphenylethane Derivative with a Dispiropyracene
 Skeleton†
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2256
_journal_paper_doi               10.1021/cg050064r
_journal_volume                  5
_journal_year                    2005
_chemical_formula_moiety         'C40 H30 N2 '
_chemical_formula_sum            'C40 H30 N2'
_chemical_formula_weight         538.69
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.183(2)
_cell_angle_beta                 93.828(1)
_cell_angle_gamma                102.130(2)
_cell_formula_units_Z            8
_cell_length_a                   17.699(3)
_cell_length_b                   18.111(3)
_cell_length_c                   18.844(3)
_cell_measurement_reflns_used    17317
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      3.0
_cell_volume                     5438.6(16)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9602
_diffrn_measured_fraction_theta_max 0.9602
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            48752
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2272.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.721
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1633
_refine_ls_number_reflns         23025
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo² + 3.0000σ(Fo²) + 0.5000]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1200
_reflns_number_gt                16581
_reflns_number_total             23025
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            cg050064rsi20050402_024010.cif
_cod_data_source_block           '__-180pyracene'
_cod_original_cell_volume        5438.5(14)
_cod_original_formula_sum        'C40 H30 N2 '
_cod_database_code               4505116
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-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
N(1) N 0.47885(8) 0.38344(9) 0.05771(8) 0.0210(4) Uani 1.00 1 d .
N(2) N 0.46380(9) 0.19183(10) 0.00935(9) 0.0271(4) Uani 1.00 1 d .
N(3) N 0.48463(8) 0.38971(9) 0.55386(8) 0.0217(4) Uani 1.00 1 d .
N(4) N 0.43166(10) 0.20480(10) 0.54022(8) 0.0293(4) Uani 1.00 1 d .
N(5) N 0.87556(8) 0.09135(8) 0.05655(8) 0.0196(4) Uani 1.00 1 d .
N(6) N 0.69769(8) 0.11415(8) 0.08287(8) 0.0193(4) Uani 1.00 1 d .
N(7) N 0.87501(8) 0.09724(9) 0.56797(8) 0.0222(4) Uani 1.00 1 d .
N(8) N 0.69284(8) 0.11185(8) 0.57623(8) 0.0196(4) Uani 1.00 1 d .
C(1) C 0.27865(9) 0.31885(10) -0.11208(9) 0.0167(4) Uani 1.00 1 d .
C(2) C 0.25557(10) 0.37862(11) -0.13110(9) 0.0211(4) Uani 1.00 1 d .
C(3) C 0.18763(10) 0.35845(11) -0.18690(9) 0.0214(5) Uani 1.00 1 d .
C(4) C 0.14344(10) 0.27898(11) -0.22287(9) 0.0200(4) Uani 1.00 1 d .
C(5) C 0.16818(9) 0.21925(11) -0.20337(9) 0.0191(4) Uani 1.00 1 d .
C(6) C 0.12676(10) 0.13824(11) -0.24659(9) 0.0206(4) Uani 1.00 1 d .
C(7) C 0.15385(10) 0.07738(11) -0.23371(10) 0.0227(4) Uani 1.00 1 d .
C(8) C 0.22121(10) 0.09724(11) -0.17741(10) 0.0208(4) Uani 1.00 1 d .
C(9) C 0.26111(9) 0.17787(10) -0.13492(9) 0.0170(4) Uani 1.00 1 d .
C(10) C 0.23370(9) 0.23837(10) -0.14983(9) 0.0171(4) Uani 1.00 1 d .
C(11) C 0.07094(10) 0.23454(11) -0.28399(10) 0.0261(5) Uani 1.00 1 d .
C(12) C 0.06284(10) 0.14097(11) -0.30277(10) 0.0257(5) Uani 1.00 1 d .
C(13) C 0.34694(9) 0.32103(10) -0.05722(9) 0.0162(4) Uani 1.00 1 d .
C(14) C 0.42531(10) 0.35798(10) -0.07264(9) 0.0178(4) Uani 1.00 1 d .
C(15) C 0.43663(10) 0.36169(10) -0.14397(10) 0.0208(4) Uani 1.00 1 d .
C(16) C 0.51022(10) 0.39158(11) -0.15802(10) 0.0238(5) Uani 1.00 1 d .
C(17) C 0.57379(10) 0.41893(11) -0.10020(10) 0.0235(5) Uani 1.00 1 d .
C(18) C 0.56425(10) 0.41667(10) -0.02898(10) 0.0225(5) Uani 1.00 1 d .
C(19) C 0.49007(10) 0.38597(10) -0.01425(9) 0.0183(4) Uani 1.00 1 d .
C(20) C 0.40673(10) 0.38970(10) 0.08223(9) 0.0198(4) Uani 1.00 1 d .
C(21) C 0.39883(11) 0.41965(11) 0.16050(10) 0.0242(5) Uani 1.00 1 d .
C(22) C 0.32729(11) 0.42866(11) 0.18238(10) 0.0271(5) Uani 1.00 1 d .
C(23) C 0.26255(11) 0.41037(11) 0.12767(10) 0.0269(5) Uani 1.00 1 d .
C(24) C 0.26968(10) 0.37861(11) 0.05042(10) 0.0226(5) Uani 1.00 1 d .
C(25) C 0.34021(10) 0.36572(10) 0.02637(9) 0.0173(4) Uani 1.00 1 d .
C(26) C 0.54667(11) 0.40015(13) 0.11428(11) 0.0321(5) Uani 1.00 1 d .
C(27) C 0.33624(9) 0.21579(10) -0.07682(9) 0.0158(4) Uani 1.00 1 d .
C(28) C 0.32863(10) 0.19938(10) -0.00400(9) 0.0200(4) Uani 1.00 1 d .
C(29) C 0.25881(11) 0.19775(11) 0.02561(10) 0.0240(5) Uani 1.00 1 d .
C(30) C 0.25269(12) 0.19397(11) 0.09744(10) 0.0291(5) Uani 1.00 1 d .
C(31) C 0.31723(12) 0.18981(11) 0.13921(11) 0.0308(5) Uani 1.00 1 d .
C(32) C 0.38675(12) 0.18831(11) 0.11088(10) 0.0283(5) Uani 1.00 1 d .
C(33) C 0.39458(11) 0.19374(10) 0.03923(9) 0.0221(5) Uani 1.00 1 d .
C(34) C 0.46426(10) 0.17355(11) -0.06901(10) 0.0240(5) Uani 1.00 1 d .
C(35) C 0.52427(11) 0.14178(12) -0.10605(11) 0.0302(5) Uani 1.00 1 d .
C(36) C 0.52344(12) 0.12422(13) -0.18324(12) 0.0347(6) Uani 1.00 1 d .
C(37) C 0.46570(12) 0.13692(13) -0.22633(11) 0.0323(6) Uani 1.00 1 d .
C(38) C 0.40661(11) 0.16667(11) -0.19056(10) 0.0257(5) Uani 1.00 1 d .
C(39) C 0.40343(9) 0.18495(10) -0.11245(10) 0.0190(4) Uani 1.00 1 d .
C(40) C 0.53199(12) 0.1897(1) 0.05541(12) 0.0387(6) Uani 1.00 1 d .
C(41) C 0.27886(9) 0.32007(10) 0.38763(9) 0.0163(4) Uani 1.00 1 d .
C(42) C 0.25259(10) 0.38168(10) 0.37507(9) 0.0194(4) Uani 1.00 1 d .
C(43) C 0.18854(10) 0.36349(11) 0.31583(9) 0.0212(5) Uani 1.00 1 d .
C(44) C 0.15132(10) 0.28375(11) 0.26928(9) 0.0202(4) Uani 1.00 1 d .
C(45) C 0.17923(10) 0.22220(11) 0.28192(9) 0.0201(4) Uani 1.00 1 d .
C(46) C 0.14192(10) 0.14158(11) 0.23223(10) 0.0232(5) Uani 1.00 1 d .
C(47) C 0.16978(10) 0.07959(11) 0.24172(10) 0.0254(5) Uani 1.00 1 d .
C(48) C 0.23362(10) 0.09805(11) 0.30143(10) 0.0224(4) Uani 1.00 1 d .
C(49) C 0.26892(9) 0.17759(10) 0.35039(9) 0.0174(4) Uani 1.00 1 d .
C(50) C 0.24108(9) 0.23964(10) 0.33913(9) 0.0174(4) Uani 1.00 1 d .
C(51) C 0.08310(11) 0.24109(12) 0.20302(11) 0.0288(5) Uani 1.00 1 d .
C(52) C 0.07727(11) 0.14694(12) 0.17853(10) 0.0282(5) Uani 1.00 1 d .
C(53) C 0.34672(9) 0.32009(10) 0.44206(9) 0.0158(4) Uani 1.00 1 d .
C(54) C 0.42445(9) 0.35387(10) 0.42253(9) 0.0173(4) Uani 1.00 1 d .
C(55) C 0.43269(10) 0.35062(11) 0.34842(10) 0.0218(5) Uani 1.00 1 d .
C(56) C 0.50469(11) 0.37771(12) 0.32986(10) 0.0261(5) Uani 1.00 1 d .
C(57) C 0.57002(11) 0.41048(11) 0.38661(11) 0.0261(5) Uani 1.00 1 d .
C(58) C 0.56384(10) 0.41486(11) 0.46020(10) 0.0236(5) Uani 1.00 1 d .
C(59) C 0.49146(10) 0.38570(10) 0.47914(9) 0.0185(4) Uani 1.00 1 d .
C(60) C 0.41319(10) 0.39356(10) 0.58032(9) 0.0192(4) Uani 1.00 1 d .
C(61) C 0.40827(11) 0.42494(11) 0.65931(10) 0.0247(5) Uani 1.00 1 d .
C(62) C 0.33721(12) 0.43029(11) 0.68407(10) 0.0274(5) Uani 1.00 1 d .
C(63) C 0.26997(11) 0.40756(11) 0.63155(10) 0.0264(5) Uani 1.00 1 d .
C(64) C 0.27445(10) 0.37549(10) 0.55342(10) 0.0213(4) Uani 1.00 1 d .
C(65) C 0.34439(10) 0.36589(10) 0.52646(9) 0.0169(4) Uani 1.00 1 d .
C(66) C 0.55570(11) 0.41244(13) 0.60863(11) 0.0327(5) Uani 1.00 1 d .
C(67) C 0.33234(9) 0.21488(10) 0.42110(9) 0.0166(4) Uani 1.00 1 d .
C(68) C 0.30121(11) 0.19677(10) 0.48734(9) 0.0218(4) Uani 1.00 1 d .
C(69) C 0.22189(11) 0.18746(11) 0.49424(11) 0.0286(5) Uani 1.00 1 d .
C(70) C 0.19386(13) 0.18237(12) 0.55929(12) 0.0359(6) Uani 1.00 1 d .
C(71) C 0.2457(1) 0.18524(12) 0.61823(12) 0.0403(6) Uani 1.00 1 d .
C(72) C 0.3240(1) 0.19150(12) 0.61349(11) 0.0363(6) Uani 1.00 1 d .
C(73) C 0.35308(12) 0.19764(11) 0.54699(10) 0.0265(5) Uani 1.00 1 d .
C(74) C 0.45432(10) 0.18339(11) 0.46696(11) 0.0256(5) Uani 1.00 1 d .
C(75) C 0.52322(12) 0.15874(13) 0.45364(13) 0.0359(6) Uani 1.00 1 d .
C(76) C 0.54397(12) 0.13665(13) 0.38122(13) 0.0403(6) Uani 1.00 1 d .
C(77) C 0.49719(12) 0.13809(13) 0.32019(12) 0.0371(6) Uani 1.00 1 d .
C(78) C 0.42797(11) 0.16301(11) 0.33341(10) 0.0262(5) Uani 1.00 1 d .
C(79) C 0.40600(10) 0.18593(10) 0.40594(10) 0.0190(4) Uani 1.00 1 d .
C(80) C 0.4875(1) 0.2149(1) 0.60534(12) 0.0445(7) Uani 1.00 1 d .
C(81) C 0.91359(9) 0.34826(10) 0.11362(9) 0.0165(4) Uani 1.00 1 d .
C(82) C 0.98545(10) 0.39910(10) 0.15331(9) 0.0185(4) Uani 1.00 1 d .
C(83) C 1.01169(10) 0.47872(10) 0.15134(9) 0.0197(4) Uani 1.00 1 d .
C(84) C 0.96594(10) 0.50563(10) 0.10821(9) 0.0185(4) Uani 1.00 1 d .
C(85) C 0.89309(9) 0.45371(10) 0.06962(9) 0.0174(4) Uani 1.00 1 d .
C(86) C 0.85080(10) 0.48061(10) 0.02264(9) 0.0196(4) Uani 1.00 1 d .
C(87) C 0.78030(10) 0.42879(11) -0.01904(10) 0.0218(5) Uani 1.00 1 d .
C(88) C 0.75157(10) 0.35057(10) -0.01355(9) 0.0198(4) Uani 1.00 1 d .
C(89) C 0.79537(9) 0.32466(10) 0.03180(9) 0.0169(4) Uani 1.00 1 d .
C(90) C 0.86706(9) 0.37817(10) 0.07310(9) 0.0165(4) Uani 1.00 1 d .
C(91) C 0.97595(10) 0.58031(10) 0.08725(10) 0.0222(5) Uani 1.00 1 d .
C(92) C 0.90031(10) 0.56290(11) 0.02955(10) 0.0224(5) Uani 1.00 1 d .
C(93) C 0.87668(9) 0.25700(10) 0.08924(9) 0.0165(4) Uani 1.00 1 d .
C(94) C 0.91813(9) 0.21024(10) 0.02525(9) 0.0174(4) Uani 1.00 1 d .
C(95) C 0.96149(10) 0.24641(11) -0.01806(9) 0.0200(4) Uani 1.00 1 d .
C(96) C 0.99859(10) 0.20275(11) -0.07549(10) 0.0240(5) Uani 1.00 1 d .
C(97) C 0.99203(10) 0.12071(11) -0.09125(10) 0.0255(5) Uani 1.00 1 d .
C(98) C 0.95020(10) 0.08345(11) -0.04889(10) 0.0236(5) Uani 1.00 1 d .
C(99) C 0.91366(9) 0.12750(10) 0.01032(9) 0.0186(4) Uani 1.00 1 d .
C(100) C 0.87624(9) 0.14171(10) 0.13333(9) 0.0183(4) Uani 1.00 1 d .
C(101) C 0.87547(10) 0.11062(11) 0.19126(10) 0.0230(5) Uani 1.00 1 d .
C(102) C 0.87793(10) 0.16145(12) 0.26689(10) 0.0271(5) Uani 1.00 1 d .
C(103) C 0.88030(10) 0.24328(12) 0.28619(10) 0.0264(5) Uani 1.00 1 d .
C(104) C 0.88155(9) 0.27454(11) 0.22913(9) 0.0209(4) Uani 1.00 1 d .
C(105) C 0.87946(9) 0.22490(10) 0.15250(9) 0.0171(4) Uani 1.00 1 d .
C(106) C 0.85665(11) 0.00313(10) 0.03211(11) 0.0270(5) Uani 1.00 1 d .
C(107) C 0.78296(9) 0.25009(10) 0.05394(9) 0.0169(4) Uani 1.00 1 d .
C(108) C 0.73610(9) 0.26173(10) 0.12061(9) 0.0181(4) Uani 1.00 1 d .
C(109) C 0.73220(10) 0.33895(11) 0.17100(10) 0.0217(4) Uani 1.00 1 d .
C(110) C 0.69693(11) 0.34934(11) 0.23635(10) 0.0267(5) Uani 1.00 1 d .
C(111) C 0.66485(11) 0.28150(12) 0.25212(10) 0.0267(5) Uani 1.00 1 d .
C(112) C 0.66566(10) 0.20397(11) 0.20224(10) 0.0233(5) Uani 1.00 1 d .
C(113) C 0.70002(9) 0.19284(10) 0.13555(9) 0.0179(4) Uani 1.00 1 d .
C(114) C 0.70410(9) 0.10308(10) 0.00637(9) 0.0186(4) Uani 1.00 1 d .
C(115) C 0.67066(10) 0.02730(11) -0.05386(10) 0.0237(5) Uani 1.00 1 d .
C(116) C 0.67634(11) 0.01689(11) -0.12950(10) 0.0271(5) Uani 1.00 1 d .
C(117) C 0.71434(10) 0.08165(11) -0.14670(10) 0.0252(5) Uani 1.00 1 d .
C(118) C 0.74777(10) 0.15698(11) -0.08730(9) 0.0210(4) Uani 1.00 1 d .
C(119) C 0.74414(9) 0.16906(10) -0.01063(9) 0.0173(4) Uani 1.00 1 d .
C(120) C 0.66689(11) 0.04398(11) 0.10221(10) 0.0247(5) Uani 1.00 1 d .
C(121) C 0.90981(9) 0.35193(10) 0.61597(9) 0.0166(4) Uani 1.00 1 d .
C(122) C 0.97992(10) 0.40484(10) 0.65762(9) 0.0195(4) Uani 1.00 1 d .
C(123) C 1.00556(10) 0.48366(10) 0.65404(9) 0.0200(4) Uani 1.00 1 d .
C(124) C 0.96148(10) 0.50781(10) 0.60721(9) 0.0195(4) Uani 1.00 1 d .
C(125) C 0.88984(10) 0.45367(10) 0.56630(9) 0.0179(4) Uani 1.00 1 d .
C(126) C 0.84893(10) 0.47742(10) 0.51577(9) 0.0194(4) Uani 1.00 1 d .
C(127) C 0.77987(10) 0.42358(11) 0.47250(10) 0.0215(5) Uani 1.00 1 d .
C(128) C 0.75177(10) 0.34646(10) 0.47951(9) 0.0199(4) Uani 1.00 1 d .
C(129) C 0.79421(9) 0.32332(10) 0.52822(9) 0.0168(4) Uani 1.00 1 d .
C(130) C 0.86408(9) 0.37872(10) 0.57144(9) 0.0172(4) Uani 1.00 1 d .
C(131) C 0.97146(10) 0.58109(10) 0.58404(10) 0.0225(5) Uani 1.00 1 d .
C(132) C 0.89791(10) 0.56039(11) 0.52238(10) 0.0233(5) Uani 1.00 1 d .
C(133) C 0.87444(9) 0.26079(10) 0.59339(9) 0.0164(4) Uani 1.00 1 d .
C(134) C 0.87336(9) 0.23120(10) 0.65869(9) 0.0172(4) Uani 1.00 1 d .
C(135) C 0.87098(10) 0.28248(11) 0.73377(10) 0.0211(4) Uani 1.00 1 d .
C(136) C 0.86448(10) 0.25321(12) 0.79246(10) 0.0261(5) Uani 1.00 1 d .
C(137) C 0.86090(10) 0.17158(12) 0.77580(11) 0.0276(5) Uani 1.00 1 d .
C(138) C 0.86332(10) 0.11928(11) 0.70190(11) 0.0248(5) Uani 1.00 1 d .
C(139) C 0.87006(9) 0.14838(11) 0.64249(10) 0.0199(4) Uani 1.00 1 d .
C(140) C 0.91491(10) 0.13130(10) 0.52137(10) 0.0199(4) Uani 1.00 1 d .
C(141) C 0.95209(10) 0.08567(11) 0.46394(10) 0.0254(5) Uani 1.00 1 d .
C(142) C 0.99449(11) 0.12136(12) 0.42054(10) 0.0273(5) Uani 1.00 1 d .
C(143) C 1.00165(10) 0.20323(12) 0.43376(10) 0.0247(5) Uani 1.00 1 d .
C(144) C 0.96371(10) 0.24815(11) 0.49003(9) 0.0205(4) Uani 1.00 1 d .
C(145) C 0.91939(9) 0.21371(10) 0.53388(9) 0.0177(4) Uani 1.00 1 d .
C(146) C 0.85655(11) 0.00906(11) 0.54560(11) 0.0290(5) Uani 1.00 1 d .
C(147) C 0.78155(9) 0.24950(10) 0.55176(9) 0.0165(4) Uani 1.00 1 d .
C(148) C 0.74908(9) 0.16747(10) 0.48669(9) 0.0172(4) Uani 1.00 1 d .
C(149) C 0.76216(10) 0.15489(11) 0.41162(9) 0.0210(4) Uani 1.00 1 d .
C(150) C 0.73706(11) 0.07808(11) 0.35227(10) 0.0267(5) Uani 1.00 1 d .
C(151) C 0.69822(11) 0.01266(12) 0.36788(11) 0.0302(5) Uani 1.00 1 d .
C(152) C 0.68235(10) 0.02334(11) 0.44116(10) 0.0259(5) Uani 1.00 1 d .
C(153) C 0.70763(9) 0.10046(10) 0.50155(9) 0.0189(4) Uani 1.00 1 d .
C(154) C 0.69235(9) 0.19008(10) 0.62762(9) 0.0182(4) Uani 1.00 1 d .
C(155) C 0.65453(10) 0.20043(11) 0.69206(10) 0.0230(5) Uani 1.00 1 d .
C(156) C 0.65234(10) 0.27765(12) 0.74205(10) 0.0254(5) Uani 1.00 1 d .
C(157) C 0.68578(10) 0.34596(11) 0.72773(10) 0.0244(5) Uani 1.00 1 d .
C(158) C 0.72396(10) 0.33630(10) 0.66393(9) 0.0205(4) Uani 1.00 1 d .
C(159) C 0.72963(9) 0.25968(10) 0.61409(9) 0.0173(4) Uani 1.00 1 d .
C(160) C 0.66163(11) 0.04161(11) 0.59525(11) 0.0279(5) Uani 1.00 1 d .
H(1) H 0.2850 0.4339 -0.1067 0.025 Uiso 1.00 1 c R
H(2) H 0.1730 0.4003 -0.1995 0.028 Uiso 1.00 1 c R
H(3) H 0.1274 0.0217 -0.2623 0.025 Uiso 1.00 1 c R
H(4) H 0.2389 0.0547 -0.1687 0.025 Uiso 1.00 1 c R
H(5) H 0.0260 0.2508 -0.2653 0.030 Uiso 1.00 1 c R
H(6) H 0.0783 0.2455 -0.3290 0.030 Uiso 1.00 1 c R
H(7) H 0.0129 0.1169 -0.2944 0.030 Uiso 1.00 1 c R
H(8) H 0.0694 0.1129 -0.3545 0.029 Uiso 1.00 1 c R
H(9) H 0.3929 0.3432 -0.1836 0.025 Uiso 1.00 1 c R
H(10) H 0.5171 0.3932 -0.2071 0.030 Uiso 1.00 1 c R
H(11) H 0.6244 0.4400 -0.1094 0.028 Uiso 1.00 1 c R
H(12) H 0.6083 0.4358 0.0105 0.026 Uiso 1.00 1 c R
H(13) H 0.4431 0.4336 0.1986 0.028 Uiso 1.00 1 c R
H(14) H 0.3224 0.4474 0.2355 0.032 Uiso 1.00 1 c R
H(15) H 0.2143 0.4199 0.1429 0.033 Uiso 1.00 1 c R
H(16) H 0.2251 0.3645 0.0127 0.027 Uiso 1.00 1 c R
H(20) H 0.2142 0.1996 -0.0041 0.026 Uiso 1.00 1 c R
H(21) H 0.2047 0.1942 0.1171 0.034 Uiso 1.00 1 c R
H(22) H 0.3136 0.1875 0.1885 0.037 Uiso 1.00 1 c R
H(23) H 0.4305 0.1844 0.1401 0.033 Uiso 1.00 1 c R
H(24) H 0.5652 0.1334 -0.0768 0.038 Uiso 1.00 1 c R
H(25) H 0.5635 0.1019 -0.2074 0.045 Uiso 1.00 1 c R
H(26) H 0.4663 0.1255 -0.2796 0.042 Uiso 1.00 1 c R
H(27) H 0.3667 0.1760 -0.2200 0.032 Uiso 1.00 1 c R
H(31) H 0.2774 0.4372 0.4064 0.022 Uiso 1.00 1 c R
H(32) H 0.1715 0.4069 0.3084 0.027 Uiso 1.00 1 c R
H(33) H 0.1467 0.0244 0.2082 0.027 Uiso 1.00 1 c R
H(34) H 0.2520 0.0548 0.3079 0.026 Uiso 1.00 1 c R
H(35) H 0.0361 0.2542 0.2188 0.034 Uiso 1.00 1 c R
H(36) H 0.0942 0.2569 0.1611 0.033 Uiso 1.00 1 c R
H(37) H 0.0276 0.1203 0.1852 0.031 Uiso 1.00 1 c R
H(38) H 0.0843 0.1226 0.1264 0.031 Uiso 1.00 1 c R
H(39) H 0.3876 0.3295 0.3099 0.027 Uiso 1.00 1 c R
H(40) H 0.5094 0.3737 0.2788 0.035 Uiso 1.00 1 c R
H(41) H 0.6194 0.4306 0.3745 0.034 Uiso 1.00 1 c R
H(42) H 0.6090 0.4377 0.4987 0.028 Uiso 1.00 1 c R
H(43) H 0.4543 0.4424 0.6960 0.028 Uiso 1.00 1 c R
H(44) H 0.3346 0.4497 0.7377 0.032 Uiso 1.00 1 c R
H(45) H 0.2217 0.4145 0.6487 0.031 Uiso 1.00 1 c R
H(46) H 0.2280 0.3587 0.5172 0.025 Uiso 1.00 1 c R
H(50) H 0.1866 0.1846 0.4525 0.034 Uiso 1.00 1 c R
H(51) H 0.1399 0.1768 0.5631 0.042 Uiso 1.00 1 c R
H(52) H 0.2271 0.1831 0.6637 0.046 Uiso 1.00 1 c R
H(53) H 0.3585 0.1915 0.6544 0.042 Uiso 1.00 1 c R
H(54) H 0.5565 0.1579 0.4949 0.043 Uiso 1.00 1 c R
H(55) H 0.5912 0.1202 0.3727 0.048 Uiso 1.00 1 c R
H(56) H 0.5112 0.1215 0.2700 0.042 Uiso 1.00 1 c R
H(57) H 0.3961 0.1654 0.2921 0.029 Uiso 1.00 1 c R
H(61) H 1.0177 0.3808 0.1823 0.022 Uiso 1.00 1 c R
H(62) H 1.0608 0.5131 0.1801 0.022 Uiso 1.00 1 c R
H(63) H 0.7498 0.4449 -0.0515 0.028 Uiso 1.00 1 c R
H(64) H 0.7021 0.3164 -0.0415 0.023 Uiso 1.00 1 c R
H(65) H 1.0212 0.5869 0.0635 0.027 Uiso 1.00 1 c R
H(66) H 0.9800 0.6283 0.1318 0.027 Uiso 1.00 1 c R
H(67) H 0.9135 0.5607 -0.0191 0.029 Uiso 1.00 1 c R
H(68) H 0.8731 0.6042 0.0490 0.029 Uiso 1.00 1 c R
H(69) H 0.9655 0.3025 -0.0079 0.024 Uiso 1.00 1 c R
H(70) H 1.0286 0.2288 -0.1038 0.030 Uiso 1.00 1 c R
H(71) H 1.0163 0.0899 -0.1312 0.030 Uiso 1.00 1 c R
H(72) H 0.9457 0.0270 -0.0602 0.028 Uiso 1.00 1 c R
H(73) H 0.8736 0.0544 0.1784 0.029 Uiso 1.00 1 c R
H(74) H 0.8778 0.1396 0.3057 0.033 Uiso 1.00 1 c R
H(75) H 0.8817 0.2777 0.3383 0.029 Uiso 1.00 1 c R
H(76) H 0.8834 0.3308 0.2422 0.024 Uiso 1.00 1 c R
H(80) H 0.7542 0.3854 0.1600 0.026 Uiso 1.00 1 c R
H(81) H 0.6950 0.4024 0.2700 0.032 Uiso 1.00 1 c R
H(82) H 0.6422 0.2882 0.2977 0.033 Uiso 1.00 1 c R
H(83) H 0.6423 0.1576 0.2129 0.029 Uiso 1.00 1 c R
H(84) H 0.6443 -0.0174 -0.0423 0.027 Uiso 1.00 1 c R
H(85) H 0.6535 -0.0348 -0.1698 0.029 Uiso 1.00 1 c R
H(86) H 0.7179 0.0747 -0.1987 0.028 Uiso 1.00 1 c R
H(87) H 0.7738 0.2015 -0.0993 0.024 Uiso 1.00 1 c R
H(91) H 1.0113 0.3885 0.6892 0.023 Uiso 1.00 1 c R
H(92) H 1.0534 0.5196 0.6844 0.022 Uiso 1.00 1 c R
H(93) H 0.7502 0.4378 0.4378 0.028 Uiso 1.00 1 c R
H(94) H 0.7036 0.3107 0.4498 0.024 Uiso 1.00 1 c R
H(95) H 0.9729 0.6294 0.6273 0.027 Uiso 1.00 1 c R
H(96) H 1.0182 0.5883 0.5626 0.028 Uiso 1.00 1 c R
H(97) H 0.8692 0.6008 0.5387 0.030 Uiso 1.00 1 c R
H(98) H 0.9135 0.5572 0.4743 0.030 Uiso 1.00 1 c R
H(99) H 0.8740 0.3386 0.7446 0.024 Uiso 1.00 1 c R
H(100) H 0.8631 0.2890 0.8434 0.030 Uiso 1.00 1 c R
H(101) H 0.8559 0.1506 0.8152 0.035 Uiso 1.00 1 c R
H(102) H 0.8607 0.0633 0.6911 0.031 Uiso 1.00 1 c R
H(103) H 0.9477 0.0296 0.4545 0.030 Uiso 1.00 1 c R
H(104) H 1.0190 0.0896 0.3815 0.033 Uiso 1.00 1 c R
H(105) H 1.0323 0.2281 0.4051 0.031 Uiso 1.00 1 c R
H(106) H 0.9679 0.3040 0.4987 0.024 Uiso 1.00 1 c R
H(110) H 0.7888 0.2001 0.4010 0.024 Uiso 1.00 1 c R
H(111) H 0.7470 0.0708 0.3016 0.029 Uiso 1.00 1 c R
H(112) H 0.6818 -0.0402 0.3279 0.032 Uiso 1.00 1 c R
H(113) H 0.6546 -0.0218 0.4513 0.029 Uiso 1.00 1 c R
H(114) H 0.6302 0.1536 0.7015 0.029 Uiso 1.00 1 c R
H(115) H 0.6271 0.2835 0.7860 0.031 Uiso 1.00 1 c R
H(116) H 0.6830 0.3988 0.7611 0.029 Uiso 1.00 1 c R
H(117) H 0.7472 0.3832 0.6541 0.024 Uiso 1.00 1 c R
H(17) H 0.5647 0.4574 0.1429 0.039 Uiso 1.00 1 c R
H(18) H 0.5326 0.3733 0.1482 0.038 Uiso 1.00 1 c R
H(58) H 0.5385 0.2401 0.6002 0.052 Uiso 1.00 1 c R
H(60) H 0.4733 0.2485 0.6516 0.053 Uiso 1.00 1 c R
H(47) H 0.5748 0.4703 0.6301 0.039 Uiso 1.00 1 c R
H(49) H 0.5445 0.3935 0.6486 0.038 Uiso 1.00 1 c R
H(29) H 0.5340 0.2235 0.1079 0.046 Uiso 1.00 1 c R
H(30) H 0.5286 0.1351 0.0508 0.047 Uiso 1.00 1 c R
H(28) H 0.5780 0.2091 0.0375 0.047 Uiso 1.00 1 c R
H(19) H 0.5871 0.3804 0.0886 0.038 Uiso 1.00 1 c R
H(48) H 0.5942 0.3885 0.5830 0.038 Uiso 1.00 1 c R
H(59) H 0.4869 0.1629 0.6069 0.052 Uiso 1.00 1 c R
H(77) H 0.9028 -0.0136 0.0401 0.033 Uiso 1.00 1 c R
H(78) H 0.8197 -0.0133 0.0612 0.033 Uiso 1.00 1 c R
H(79) H 0.8351 -0.0216 -0.0210 0.033 Uiso 1.00 1 c R
H(89) H 0.6114 0.0326 0.0959 0.030 Uiso 1.00 1 c R
H(90) H 0.6822 -0.0022 0.0692 0.030 Uiso 1.00 1 c R
H(88) H 0.6870 0.0558 0.1542 0.030 Uiso 1.00 1 c R
H(107) H 0.9019 -0.0065 0.5585 0.035 Uiso 1.00 1 c R
H(108) H 0.8164 -0.0069 0.5720 0.035 Uiso 1.00 1 c R
H(109) H 0.8393 -0.0171 0.4916 0.035 Uiso 1.00 1 c R
H(118) H 0.6784 0.0545 0.6482 0.034 Uiso 1.00 1 c R
H(119) H 0.6061 0.0280 0.5852 0.034 Uiso 1.00 1 c R
H(120) H 0.6799 -0.0036 0.5647 0.034 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, 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
N(1) C(19) C(14) 119.1(2)
N(1) C(19) C(18) 121.6(1)
C(20) N(1) C(19) 118.7(2)
C(26) N(1) C(19) 119.2(1)
N(1) C(20) C(21) 122.3(2)
N(1) C(20) C(25) 118.6(1)
C(26) N(1) C(20) 119.2(1)
N(2) C(33) C(28) 119.8(2)
N(2) C(33) C(32) 121.7(2)
C(34) N(2) C(33) 120.3(2)
C(40) N(2) C(33) 119.4(2)
N(2) C(34) C(35) 121.1(2)
N(2) C(34) C(39) 119.5(2)
C(40) N(2) C(34) 118.7(2)
N(3) C(59) C(54) 119.7(2)
N(3) C(59) C(58) 121.0(1)
C(60) N(3) C(59) 119.3(2)
C(66) N(3) C(59) 118.7(1)
N(3) C(60) C(61) 121.8(1)
N(3) C(60) C(65) 119.1(1)
C(66) N(3) C(60) 119.8(1)
C(74) N(4) C(73) 119.7(1)
N(4) C(73) C(68) 119.6(2)
N(4) C(73) C(72) 121.5(2)
C(80) N(4) C(73) 119.9(2)
N(4) C(74) C(75) 121.0(2)
N(4) C(74) C(79) 119.3(2)
C(80) N(4) C(74) 118.8(2)
N(5) C(99) C(94) 119.4(1)
N(5) C(99) C(98) 121.1(2)
C(100) N(5) C(99) 117.6(1)
C(106) N(5) C(99) 119.3(1)
N(5) C(100) C(101) 120.9(2)
N(5) C(100) C(105) 119.5(2)
C(106) N(5) C(100) 120.8(2)
C(114) N(6) C(113) 118.5(2)
N(6) C(113) C(108) 119.7(2)
N(6) C(113) C(112) 120.9(2)
C(120) N(6) C(113) 119.2(1)
N(6) C(114) C(119) 119.6(1)
N(6) C(114) C(115) 120.9(2)
C(120) N(6) C(114) 120.0(1)
N(7) C(139) C(134) 119.4(2)
N(7) C(139) C(138) 121.4(2)
C(140) N(7) C(139) 118.9(1)
C(146) N(7) C(139) 120.5(2)
N(7) C(140) C(141) 121.2(2)
N(7) C(140) C(145) 119.0(2)
C(146) N(7) C(140) 118.9(1)
N(8) C(153) C(148) 119.5(1)
N(8) C(153) C(152) 121.1(2)
C(154) N(8) C(153) 119.4(2)
C(160) N(8) C(153) 120.1(1)
N(8) C(154) C(155) 120.8(2)
N(8) C(154) C(159) 119.9(2)
C(160) N(8) C(154) 119.1(2)
C(13) C(1) C(2) 133.0(1)
C(1) C(2) C(3) 121.0(1)
C(10) C(1) C(2) 117.5(1)
C(13) C(1) C(10) 109.5(2)
C(1) C(10) C(5) 121.3(2)
C(1) C(10) C(9) 116.9(1)
C(1) C(13) C(14) 113.3(2)
C(1) C(13) C(25) 112.1(1)
C(1) C(13) C(27) 102.0(1)
C(2) C(3) C(4) 120.8(2)
C(3) C(4) C(5) 117.3(2)
C(3) C(4) C(11) 136.0(2)
C(4) C(5) C(10) 122.1(1)
C(11) C(4) C(5) 106.6(1)
C(4) C(5) C(6) 115.8(2)
C(4) C(11) C(12) 105.1(2)
C(10) C(5) C(6) 121.9(2)
C(5) C(6) C(12) 106.9(2)
C(5) C(6) C(7) 117.4(2)
C(5) C(10) C(9) 121.6(1)
C(12) C(6) C(7) 135.5(1)
C(6) C(7) C(8) 120.7(1)
C(6) C(12) C(11) 105.2(1)
C(7) C(8) C(9) 120.9(2)
C(8) C(9) C(27) 132.0(2)
C(8) C(9) C(10) 117.4(2)
C(27) C(9) C(10) 110.4(1)
C(9) C(27) C(13) 101.0(1)
C(9) C(27) C(28) 112.6(1)
C(9) C(27) C(39) 110.5(1)
C(13) C(14) C(19) 118.6(2)
C(25) C(13) C(14) 109.1(1)
C(27) C(13) C(14) 110.4(1)
C(13) C(14) C(15) 122.5(1)
C(13) C(25) C(20) 118.3(2)
C(27) C(13) C(25) 109.8(1)
C(13) C(25) C(24) 122.7(1)
C(13) C(27) C(28) 110.5(1)
C(13) C(27) C(39) 112.5(1)
C(19) C(14) C(15) 118.9(2)
C(14) C(15) C(16) 121.3(2)
C(14) C(19) C(18) 119.3(2)
C(15) C(16) C(17) 119.5(2)
C(16) C(17) C(18) 120.5(2)
C(17) C(18) C(19) 120.5(2)
C(25) C(20) C(21) 119.1(2)
C(20) C(21) C(22) 120.5(2)
C(20) C(25) C(24) 118.8(1)
C(21) C(22) C(23) 120.7(2)
C(22) C(23) C(24) 118.9(2)
C(23) C(24) C(25) 121.8(2)
C(27) C(28) C(33) 120.7(2)
C(39) C(27) C(28) 109.6(2)
C(27) C(28) C(29) 120.1(2)
C(27) C(39) C(34) 121.9(2)
C(27) C(39) C(38) 120.5(2)
C(33) C(28) C(29) 118.8(2)
C(28) C(29) C(30) 121.8(2)
C(28) C(33) C(32) 118.5(2)
C(29) C(30) C(31) 118.8(2)
C(30) C(31) C(32) 121.3(2)
C(31) C(32) C(33) 120.7(2)
C(39) C(34) C(35) 119.4(2)
C(34) C(35) C(36) 120.0(2)
C(34) C(39) C(38) 117.6(2)
C(35) C(36) C(37) 121.5(2)
C(36) C(37) C(38) 118.5(2)
C(37) C(38) C(39) 122.9(2)
C(53) C(41) C(42) 133.2(1)
C(41) C(42) C(43) 121.3(1)
C(50) C(41) C(42) 117.1(1)
C(53) C(41) C(50) 109.6(2)
C(41) C(50) C(45) 121.6(2)
C(41) C(50) C(49) 117.1(1)
C(41) C(53) C(54) 111.1(2)
C(41) C(53) C(65) 114.0(1)
C(41) C(53) C(67) 101.3(1)
C(42) C(43) C(44) 120.8(2)
C(43) C(44) C(45) 117.3(2)
C(43) C(44) C(51) 136.0(2)
C(44) C(45) C(46) 116.2(2)
C(44) C(45) C(50) 122.0(1)
C(51) C(44) C(45) 106.7(1)
C(44) C(51) C(52) 105.1(2)
C(50) C(45) C(46) 121.8(2)
C(45) C(46) C(52) 106.5(2)
C(45) C(46) C(47) 117.5(2)
C(45) C(50) C(49) 121.3(1)
C(52) C(46) C(47) 135.9(1)
C(46) C(47) C(48) 120.4(1)
C(46) C(52) C(51) 105.5(1)
C(47) C(48) C(49) 121.3(2)
C(48) C(49) C(67) 132.9(2)
C(48) C(49) C(50) 117.7(2)
C(67) C(49) C(50) 109.3(1)
C(49) C(67) C(53) 101.8(1)
C(49) C(67) C(68) 110.0(1)
C(49) C(67) C(79) 112.9(1)
C(53) C(54) C(59) 119.5(2)
C(65) C(53) C(54) 109.4(1)
C(67) C(53) C(54) 110.4(1)
C(53) C(54) C(55) 121.8(1)
C(53) C(65) C(60) 119.7(2)
C(67) C(53) C(65) 110.5(1)
C(53) C(65) C(64) 121.6(1)
C(53) C(67) C(68) 108.7(1)
C(53) C(67) C(79) 112.9(1)
C(59) C(54) C(55) 118.6(2)
C(54) C(55) C(56) 121.6(2)
C(54) C(59) C(58) 119.3(2)
C(55) C(56) C(57) 119.2(2)
C(56) C(57) C(58) 120.7(2)
C(57) C(58) C(59) 120.6(2)
C(65) C(60) C(61) 119.1(2)
C(60) C(61) C(62) 120.7(2)
C(60) C(65) C(64) 118.5(1)
C(61) C(62) C(63) 120.5(2)
C(62) C(63) C(64) 118.8(2)
C(63) C(64) C(65) 122.1(2)
C(67) C(68) C(73) 119.8(2)
C(79) C(67) C(68) 110.3(2)
C(67) C(68) C(69) 121.0(2)
C(67) C(79) C(74) 119.5(2)
C(67) C(79) C(78) 121.6(2)
C(73) C(68) C(69) 118.9(2)
C(68) C(69) C(70) 122.1(2)
C(68) C(73) C(72) 118.9(2)
C(69) C(70) C(71) 118.4(2)
C(70) C(71) C(72) 122.0(2)
C(71) C(72) C(73) 119.7(2)
C(79) C(74) C(75) 119.7(2)
C(74) C(75) C(76) 120.3(2)
C(74) C(79) C(78) 118.9(2)
C(75) C(76) C(77) 121.1(2)
C(76) C(77) C(78) 118.7(2)
C(77) C(78) C(79) 121.2(2)
C(93) C(81) C(82) 133.7(2)
C(81) C(82) C(83) 120.9(2)
C(90) C(81) C(82) 117.5(2)
C(93) C(81) C(90) 107.5(1)
C(81) C(90) C(85) 121.5(1)
C(81) C(90) C(89) 116.3(2)
C(81) C(93) C(94) 108.0(1)
C(81) C(93) C(105) 115.5(1)
C(81) C(93) C(107) 101.2(1)
C(82) C(83) C(84) 120.5(1)
C(83) C(84) C(85) 117.5(2)
C(83) C(84) C(91) 135.6(1)
C(84) C(85) C(90) 122.0(2)
C(91) C(84) C(85) 106.9(2)
C(84) C(85) C(86) 115.8(2)
C(84) C(91) C(92) 105.1(1)
C(90) C(85) C(86) 122.0(1)
C(85) C(86) C(92) 106.7(1)
C(85) C(86) C(87) 117.1(2)
C(85) C(90) C(89) 122.0(2)
C(92) C(86) C(87) 136.1(2)
C(86) C(87) C(88) 121.0(2)
C(86) C(92) C(91) 105.4(2)
C(87) C(88) C(89) 120.7(1)
C(88) C(89) C(107) 135.1(1)
C(88) C(89) C(90) 117.1(2)
C(107) C(89) C(90) 107.6(2)
C(89) C(107) C(93) 100.8(1)
C(89) C(107) C(119) 115.4(1)
C(89) C(107) C(108) 110.5(1)
C(93) C(94) C(99) 118.7(2)
C(105) C(93) C(94) 109.1(2)
C(107) C(93) C(94) 111.1(1)
C(93) C(94) C(95) 123.0(2)
C(93) C(105) C(100) 119.2(1)
C(107) C(93) C(105) 111.8(1)
C(93) C(105) C(104) 121.8(2)
C(93) C(107) C(119) 113.6(1)
C(93) C(107) C(108) 107.3(1)
C(99) C(94) C(95) 118.2(2)
C(94) C(95) C(96) 121.9(2)
C(94) C(99) C(98) 119.5(2)
C(95) C(96) C(97) 119.5(2)
C(96) C(97) C(98) 119.9(2)
C(97) C(98) C(99) 121.0(2)
C(105) C(100) C(101) 119.6(1)
C(100) C(101) C(102) 120.2(2)
C(100) C(105) C(104) 119.0(2)
C(101) C(102) C(103) 120.6(2)
C(102) C(103) C(104) 119.4(2)
C(103) C(104) C(105) 121.2(2)
C(119) C(107) C(108) 108.8(1)
C(107) C(108) C(113) 119.1(1)
C(107) C(108) C(109) 122.4(2)
C(107) C(119) C(114) 119.9(2)
C(107) C(119) C(118) 121.6(2)
C(113) C(108) C(109) 118.4(2)
C(108) C(109) C(110) 121.7(2)
C(108) C(113) C(112) 119.4(1)
C(109) C(110) C(111) 119.2(2)
C(110) C(111) C(112) 120.5(2)
C(111) C(112) C(113) 120.6(2)
C(119) C(114) C(115) 119.4(2)
C(114) C(115) C(116) 120.7(2)
C(114) C(119) C(118) 118.4(1)
C(115) C(116) C(117) 120.2(1)
C(116) C(117) C(118) 119.5(2)
C(117) C(118) C(119) 121.7(2)
C(133) C(121) C(122) 133.8(2)
C(121) C(122) C(123) 120.9(2)
C(130) C(121) C(122) 117.7(2)
C(133) C(121) C(130) 107.4(1)
C(121) C(130) C(125) 121.3(1)
C(121) C(130) C(129) 116.6(2)
C(121) C(133) C(134) 115.7(1)
C(121) C(133) C(145) 108.2(1)
C(121) C(133) C(147) 101.6(1)
C(122) C(123) C(124) 120.7(1)
C(123) C(124) C(125) 117.4(2)
C(123) C(124) C(131) 135.9(1)
C(124) C(125) C(130) 121.9(2)
C(131) C(124) C(125) 106.7(2)
C(124) C(125) C(126) 116.1(2)
C(124) C(131) C(132) 105.3(1)
C(130) C(125) C(126) 121.9(1)
C(125) C(126) C(132) 106.6(1)
C(125) C(126) C(127) 117.1(2)
C(125) C(130) C(129) 121.9(2)
C(132) C(126) C(127) 136.2(2)
C(126) C(127) C(128) 121.0(2)
C(126) C(132) C(131) 105.3(2)
C(127) C(128) C(129) 120.9(1)
C(128) C(129) C(147) 134.9(1)
C(128) C(129) C(130) 117.2(2)
C(147) C(129) C(130) 107.8(2)
C(129) C(147) C(133) 100.7(1)
C(129) C(147) C(148) 115.2(1)
C(129) C(147) C(159) 110.4(1)
C(133) C(134) C(139) 119.0(1)
C(145) C(133) C(134) 109.2(2)
C(147) C(133) C(134) 111.3(1)
C(133) C(134) C(135) 121.8(2)
C(133) C(145) C(140) 118.9(2)
C(147) C(133) C(145) 110.6(1)
C(133) C(145) C(144) 122.9(2)
C(133) C(147) C(148) 112.7(1)
C(133) C(147) C(159) 107.8(1)
C(139) C(134) C(135) 119.0(2)
C(134) C(135) C(136) 121.4(2)
C(134) C(139) C(138) 119.2(2)
C(135) C(136) C(137) 119.1(2)
C(136) C(137) C(138) 120.8(2)
C(137) C(138) C(139) 120.4(2)
C(145) C(140) C(141) 119.8(2)
C(140) C(141) C(142) 120.5(2)
C(140) C(145) C(144) 118.2(2)
C(141) C(142) C(143) 120.5(2)
C(142) C(143) C(144) 118.9(2)
C(143) C(144) C(145) 122.1(2)
C(147) C(148) C(153) 120.2(2)
C(159) C(147) C(148) 109.6(1)
C(147) C(148) C(149) 121.3(2)
C(147) C(159) C(154) 119.0(1)
C(147) C(159) C(158) 122.4(2)
C(153) C(148) C(149) 118.5(1)
C(148) C(149) C(150) 121.6(2)
C(148) C(153) C(152) 119.4(2)
C(149) C(150) C(151) 119.4(2)
C(150) C(151) C(152) 120.6(2)
C(151) C(152) C(153) 120.5(2)
C(159) C(154) C(155) 119.2(1)
C(154) C(155) C(156) 121.0(2)
C(154) C(159) C(158) 118.3(2)
C(155) C(156) C(157) 120.3(2)
C(156) C(157) C(158) 119.1(2)
C(157) C(158) C(159) 122.0(2)
N(1) C(26) H(17) 109.6970
N(1) C(26) H(18) 109.4004
N(1) C(26) H(19) 109.3118
N(2) C(40) H(29) 109.6138
N(2) C(40) H(30) 109.4689
N(2) C(40) H(28) 109.3289
N(3) C(66) H(47) 109.4206
N(3) C(66) H(49) 109.4694
N(3) C(66) H(48) 109.5224
N(4) C(80) H(58) 109.6222
N(4) C(80) H(60) 109.1023
N(4) C(80) H(59) 109.6750
N(5) C(106) H(77) 109.4354
N(5) C(106) H(78) 109.5344
N(5) C(106) H(79) 109.4446
N(6) C(120) H(90) 109.5029
N(6) C(120) H(89) 109.4751
N(6) C(120) H(88) 109.4402
N(7) C(146) H(107) 109.4906
N(7) C(146) H(108) 109.4469
N(7) C(146) H(109) 109.4731
N(8) C(160) H(120) 109.4459
N(8) C(160) H(118) 109.5084
N(8) C(160) H(119) 109.4459
C(1) C(2) H(1) 119.5575
H(1) C(2) C(3) 119.4349
C(2) C(3) H(2) 119.7760
H(2) C(3) C(4) 119.4318
C(4) C(11) H(5) 110.9444
C(4) C(11) H(6) 110.2063
C(6) C(7) H(3) 119.7083
C(6) C(12) H(7) 110.1746
C(6) C(12) H(8) 110.7914
H(3) C(7) C(8) 119.5435
C(7) C(8) H(4) 119.8633
H(4) C(8) C(9) 119.2004
H(5) C(11) C(12) 111.3921
H(6) C(11) C(12) 109.6639
C(11) C(12) H(7) 109.7127
C(11) C(12) H(8) 111.4200
H(6) C(11) H(5) 109.4515
H(8) C(12) H(7) 109.4537
C(14) C(15) H(9) 119.1951
H(9) C(15) C(16) 119.5326
C(15) C(16) H(10) 120.2731
H(10) C(16) C(17) 120.2397
C(16) C(17) H(11) 119.7800
C(17) C(18) H(12) 119.8866
H(11) C(17) C(18) 119.7142
H(12) C(18) C(19) 119.5923
C(20) C(21) H(13) 119.6189
H(13) C(21) C(22) 119.8984
C(21) C(22) H(14) 119.5642
H(14) C(22) C(23) 119.7380
C(22) C(23) H(15) 120.5724
C(23) C(24) H(16) 119.1544
H(15) C(23) C(24) 120.5743
H(16) C(24) C(25) 119.0083
H(18) C(26) H(17) 109.4791
H(19) C(26) H(17) 109.4690
H(19) C(26) H(18) 109.4697
C(28) C(29) H(20) 118.8243
H(20) C(29) C(30) 119.3879
C(29) C(30) H(21) 120.4402
H(21) C(30) C(31) 120.7594
C(30) C(31) H(22) 119.2715
C(31) C(32) H(23) 120.2565
H(22) C(31) C(32) 119.4009
H(23) C(32) C(33) 119.0059
C(34) C(35) H(24) 119.5069
H(24) C(35) C(36) 120.4974
C(35) C(36) H(25) 118.9603
H(25) C(36) C(37) 119.4869
C(36) C(37) H(26) 120.7616
C(37) C(38) H(27) 118.8807
H(26) C(37) C(38) 120.7500
H(27) C(38) C(39) 118.2031
H(30) C(40) H(29) 109.4713
H(28) C(40) H(29) 109.4706
H(28) C(40) H(30) 109.4738
C(41) C(42) H(31) 119.4260
H(31) C(42) C(43) 119.3157
C(42) C(43) H(32) 119.7295
H(32) C(43) C(44) 119.4521
C(44) C(51) H(36) 109.9189
C(44) C(51) H(35) 111.0732
C(46) C(47) H(33) 119.6967
C(46) C(52) H(38) 110.5804
C(46) C(52) H(37) 110.4534
H(33) C(47) C(48) 119.9287
C(47) C(48) H(34) 119.7014
H(34) C(48) C(49) 119.0159
H(36) C(51) C(52) 109.7016
C(51) C(52) H(38) 111.3348
H(35) C(51) C(52) 111.5429
C(51) C(52) H(37) 109.4930
H(36) C(51) H(35) 109.4456
H(38) C(52) H(37) 109.4585
C(54) C(55) H(39) 119.1516
C(55) C(56) H(40) 120.3937
H(39) C(55) C(56) 119.2906
H(40) C(56) C(57) 120.4019
C(56) C(57) H(41) 119.4827
C(57) C(58) H(42) 119.8795
H(41) C(57) C(58) 119.8473
H(42) C(58) C(59) 119.5455
C(60) C(61) H(43) 119.5632
H(43) C(61) C(62) 119.7077
C(61) C(62) H(44) 119.6816
H(44) C(62) C(63) 119.7886
C(62) C(63) H(45) 120.4736
C(63) C(64) H(46) 118.9258
H(45) C(63) C(64) 120.6857
H(46) C(64) C(65) 118.9355
H(49) C(66) H(47) 109.4705
H(48) C(66) H(47) 109.4691
H(48) C(66) H(49) 109.4753
C(68) C(69) H(50) 118.3596
H(50) C(69) C(70) 119.5431
C(69) C(70) H(51) 120.7936
H(51) C(70) C(71) 120.7719
C(70) C(71) H(52) 118.9755
C(71) C(72) H(53) 120.4292
H(52) C(71) C(72) 119.0644
H(53) C(72) C(73) 119.9044
C(74) C(75) H(54) 119.8838
H(54) C(75) C(76) 119.7820
C(75) C(76) H(55) 119.7555
H(55) C(76) C(77) 119.1332
C(76) C(77) H(56) 120.6757
C(77) C(78) H(57) 119.2599
H(56) C(77) C(78) 120.5993
H(57) C(78) C(79) 119.4787
H(60) C(80) H(58) 109.4749
H(59) C(80) H(58) 109.4794
H(59) C(80) H(60) 109.4729
C(81) C(82) H(61) 119.2170
H(61) C(82) C(83) 119.8526
C(82) C(83) H(62) 119.4347
H(62) C(83) C(84) 120.0635
C(84) C(91) H(65) 110.6939
C(84) C(91) H(66) 110.6489
C(86) C(87) H(63) 119.6017
C(86) C(92) H(67) 110.5866
C(86) C(92) H(68) 110.4168
H(63) C(87) C(88) 119.3657
C(87) C(88) H(64) 119.8182
H(64) C(88) C(89) 119.4733
H(65) C(91) C(92) 110.5479
H(66) C(91) C(92) 110.2893
C(91) C(92) H(67) 110.3146
C(91) C(92) H(68) 110.5846
H(66) C(91) H(65) 109.4648
H(68) C(92) H(67) 109.4726
C(94) C(95) H(69) 118.8701
H(69) C(95) C(96) 119.2547
C(95) C(96) H(70) 120.4850
H(70) C(96) C(97) 120.0106
C(96) C(97) H(71) 120.2285
C(97) C(98) H(72) 119.5394
H(71) C(97) C(98) 119.8218
H(72) C(98) C(99) 119.4924
C(100) C(101) H(73) 119.6233
H(73) C(101) C(102) 120.2078
C(101) C(102) H(74) 119.2409
H(74) C(102) C(103) 120.1138
C(102) C(103) H(75) 120.0753
C(103) C(104) H(76) 119.7444
H(75) C(103) C(104) 120.4715
H(76) C(104) C(105) 119.0627
H(78) C(106) H(77) 109.4675
H(79) C(106) H(77) 109.4730
H(79) C(106) H(78) 109.4724
C(108) C(109) H(80) 118.8875
C(109) C(110) H(81) 120.4449
H(80) C(109) C(110) 119.3690
C(110) C(111) H(82) 119.7638
H(81) C(110) C(111) 120.3720
C(111) C(112) H(83) 119.9277
H(82) C(111) C(112) 119.7104
H(83) C(112) C(113) 119.4404
C(114) C(115) H(84) 119.3686
H(84) C(115) C(116) 119.9134
C(115) C(116) H(85) 119.8996
H(85) C(116) C(117) 119.9354
C(116) C(117) H(86) 120.2498
C(117) C(118) H(87) 119.3643
H(86) C(117) C(118) 120.2640
H(87) C(118) C(119) 118.8969
H(90) C(120) H(89) 109.4670
H(88) C(120) H(89) 109.4686
H(88) C(120) H(90) 109.4735
C(121) C(122) H(91) 119.1374
H(91) C(122) C(123) 119.9230
C(122) C(123) H(92) 119.3880
H(92) C(123) C(124) 119.8682
C(124) C(131) H(95) 110.6579
C(124) C(131) H(96) 110.4651
C(126) C(127) H(93) 119.5726
C(126) C(132) H(97) 110.5912
C(126) C(132) H(98) 110.4449
H(93) C(127) C(128) 119.4417
C(127) C(128) H(94) 119.6485
H(94) C(128) C(129) 119.4750
H(95) C(131) C(132) 110.2693
H(96) C(131) C(132) 110.6246
C(131) C(132) H(97) 110.6808
C(131) C(132) H(98) 110.3167
H(96) C(131) H(95) 109.4546
H(98) C(132) H(97) 109.4642
C(134) C(135) H(99) 118.7163
H(99) C(135) C(136) 119.8889
C(135) C(136) H(100) 120.4262
H(100) C(136) C(137) 120.4899
C(136) C(137) H(101) 120.0579
C(137) C(138) H(102) 120.1110
H(101) C(137) C(138) 119.1040
H(102) C(138) C(139) 119.4754
C(140) C(141) H(103) 119.7090
H(103) C(141) C(142) 119.7451
C(141) C(142) H(104) 119.6400
C(142) C(143) H(105) 120.3599
H(104) C(142) C(143) 119.8726
H(105) C(143) C(144) 120.7447
C(143) C(144) H(106) 119.0638
H(106) C(144) C(145) 118.8490
H(108) C(146) H(107) 109.4686
H(109) C(146) H(107) 109.4754
H(109) C(146) H(108) 109.4728
C(148) C(149) H(110) 118.8180
C(149) C(150) H(111) 120.1488
H(110) C(149) C(150) 119.5751
H(111) C(150) C(151) 120.4883
C(150) C(151) H(112) 119.8897
C(151) C(152) H(113) 120.1364
H(112) C(151) C(152) 119.5292
H(113) C(152) C(153) 119.3098
C(154) C(155) H(114) 119.1149
H(114) C(155) C(156) 119.8780
C(155) C(156) H(115) 119.7250
H(115) C(156) C(157) 119.9480
C(156) C(157) H(116) 120.4644
C(157) C(158) H(117) 119.2076
H(116) C(157) C(158) 120.4829
H(117) C(158) C(159) 118.8230
H(120) C(160) H(118) 109.4838
H(119) C(160) H(118) 109.4644
H(120) C(160) H(119) 109.4789
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) C(19) 1.399(2)
N(1) C(20) 1.399(2)
N(1) C(26) 1.453(2)
N(2) C(33) 1.384(3)
N(2) C(34) 1.393(3)
N(2) C(40) 1.454(3)
N(3) C(59) 1.398(2)
N(3) C(60) 1.396(2)
N(3) C(66) 1.456(2)
N(4) C(73) 1.388(3)
N(4) C(74) 1.403(3)
N(4) C(80) 1.455(3)
N(5) C(99) 1.395(2)
N(5) C(100) 1.402(2)
N(5) C(106) 1.449(2)
N(6) C(113) 1.402(2)
N(6) C(114) 1.398(2)
N(6) C(120) 1.454(3)
N(7) C(139) 1.396(2)
N(7) C(140) 1.393(3)
N(7) C(146) 1.453(2)
N(8) C(153) 1.398(2)
N(8) C(154) 1.400(2)
N(8) C(160) 1.453(3)
C(1) C(2) 1.383(3)
C(1) C(10) 1.397(2)
C(1) C(13) 1.521(2)
C(2) C(3) 1.433(2)
C(3) C(4) 1.376(2)
C(4) C(5) 1.401(3)
C(4) C(11) 1.523(2)
C(5) C(6) 1.399(2)
C(5) C(10) 1.380(2)
C(6) C(7) 1.380(3)
C(6) C(12) 1.518(3)
C(7) C(8) 1.432(2)
C(8) C(9) 1.385(2)
C(9) C(10) 1.394(3)
C(9) C(27) 1.522(2)
C(11) C(12) 1.573(3)
C(13) C(14) 1.503(2)
C(13) C(25) 1.515(2)
C(13) C(27) 1.771(3)
C(14) C(15) 1.395(3)
C(14) C(19) 1.402(2)
C(15) C(16) 1.383(3)
C(16) C(17) 1.382(2)
C(17) C(18) 1.378(3)
C(18) C(19) 1.401(2)
C(20) C(21) 1.404(2)
C(20) C(25) 1.404(2)
C(21) C(22) 1.381(3)
C(22) C(23) 1.386(3)
C(23) C(24) 1.384(3)
C(24) C(25) 1.393(3)
C(27) C(28) 1.514(3)
C(27) C(39) 1.514(2)
C(28) C(29) 1.388(3)
C(28) C(33) 1.421(3)
C(29) C(30) 1.390(3)
C(30) C(31) 1.374(3)
C(31) C(32) 1.375(3)
C(32) C(33) 1.403(3)
C(34) C(35) 1.418(3)
C(34) C(39) 1.403(3)
C(35) C(36) 1.370(3)
C(36) C(37) 1.371(3)
C(37) C(38) 1.381(3)
C(38) C(39) 1.395(3)
C(41) C(42) 1.383(3)
C(41) C(50) 1.397(2)
C(41) C(53) 1.526(2)
C(42) C(43) 1.431(2)
C(43) C(44) 1.377(2)
C(44) C(45) 1.397(3)
C(44) C(51) 1.524(2)
C(45) C(46) 1.403(2)
C(45) C(50) 1.383(2)
C(46) C(47) 1.379(3)
C(46) C(52) 1.518(3)
C(47) C(48) 1.433(3)
C(48) C(49) 1.379(2)
C(49) C(50) 1.393(3)
C(49) C(67) 1.524(2)
C(51) C(52) 1.575(3)
C(53) C(54) 1.510(2)
C(53) C(65) 1.513(2)
C(53) C(67) 1.758(3)
C(54) C(55) 1.395(3)
C(54) C(59) 1.406(2)
C(55) C(56) 1.381(3)
C(56) C(57) 1.386(2)
C(57) C(58) 1.373(3)
C(58) C(59) 1.400(3)
C(60) C(61) 1.405(2)
C(60) C(65) 1.405(2)
C(61) C(62) 1.380(3)
C(62) C(63) 1.381(3)
C(63) C(64) 1.389(3)
C(64) C(65) 1.390(3)
C(67) C(68) 1.510(3)
C(67) C(79) 1.512(3)
C(68) C(69) 1.399(3)
C(68) C(73) 1.396(3)
C(69) C(70) 1.379(3)
C(70) C(71) 1.371(3)
C(71) C(72) 1.378(4)
C(72) C(73) 1.418(3)
C(74) C(75) 1.392(3)
C(74) C(79) 1.407(3)
C(75) C(76) 1.375(3)
C(76) C(77) 1.383(3)
C(77) C(78) 1.399(3)
C(78) C(79) 1.386(3)
C(81) C(82) 1.381(2)
C(81) C(90) 1.399(3)
C(81) C(93) 1.525(2)
C(82) C(83) 1.434(3)
C(83) C(84) 1.385(3)
C(84) C(85) 1.395(2)
C(84) C(91) 1.520(3)
C(85) C(86) 1.399(3)
C(85) C(90) 1.376(3)
C(86) C(87) 1.378(2)
C(86) C(92) 1.517(3)
C(87) C(88) 1.444(3)
C(88) C(89) 1.380(3)
C(89) C(90) 1.400(2)
C(89) C(107) 1.530(3)
C(91) C(92) 1.567(3)
C(93) C(94) 1.533(2)
C(93) C(105) 1.505(3)
C(93) C(107) 1.707(2)
C(94) C(95) 1.394(3)
C(94) C(99) 1.405(3)
C(95) C(96) 1.386(2)
C(96) C(97) 1.383(3)
C(97) C(98) 1.378(3)
C(98) C(99) 1.403(2)
C(100) C(101) 1.397(3)
C(100) C(105) 1.404(3)
C(101) C(102) 1.381(2)
C(102) C(103) 1.383(3)
C(103) C(104) 1.384(3)
C(104) C(105) 1.391(2)
C(107) C(108) 1.527(2)
C(107) C(119) 1.510(2)
C(108) C(109) 1.397(2)
C(108) C(113) 1.410(3)
C(109) C(110) 1.388(3)
C(110) C(111) 1.383(3)
C(111) C(112) 1.383(3)
C(112) C(113) 1.400(3)
C(114) C(115) 1.402(2)
C(114) C(119) 1.408(3)
C(115) C(116) 1.382(3)
C(116) C(117) 1.380(3)
C(117) C(118) 1.390(2)
C(118) C(119) 1.389(2)
C(121) C(122) 1.379(2)
C(121) C(130) 1.401(3)
C(121) C(133) 1.523(2)
C(122) C(123) 1.432(3)
C(123) C(124) 1.382(3)
C(124) C(125) 1.401(2)
C(124) C(131) 1.521(3)
C(125) C(126) 1.397(3)
C(125) C(130) 1.379(3)
C(126) C(127) 1.379(2)
C(126) C(132) 1.526(3)
C(127) C(128) 1.437(3)
C(128) C(129) 1.379(3)
C(129) C(130) 1.397(2)
C(129) C(147) 1.533(3)
C(131) C(132) 1.570(2)
C(133) C(134) 1.509(3)
C(133) C(145) 1.527(2)
C(133) C(147) 1.712(2)
C(134) C(135) 1.393(2)
C(134) C(139) 1.406(3)
C(135) C(136) 1.390(3)
C(136) C(137) 1.382(3)
C(137) C(138) 1.382(3)
C(138) C(139) 1.401(3)
C(140) C(141) 1.402(3)
C(140) C(145) 1.408(3)
C(141) C(142) 1.382(3)
C(142) C(143) 1.388(3)
C(143) C(144) 1.392(3)
C(144) C(145) 1.393(3)
C(147) C(148) 1.507(2)
C(147) C(159) 1.522(2)
C(148) C(149) 1.393(2)
C(148) C(153) 1.410(3)
C(149) C(150) 1.390(2)
C(150) C(151) 1.378(3)
C(151) C(152) 1.380(3)
C(152) C(153) 1.402(2)
C(154) C(155) 1.398(3)
C(154) C(159) 1.412(3)
C(155) C(156) 1.386(3)
C(156) C(157) 1.381(3)
C(157) C(158) 1.392(3)
C(158) C(159) 1.395(2)
C(2) H(1) 0.9500
C(3) H(2) 0.9499
C(7) H(3) 0.9499
C(8) H(4) 0.9500
C(11) H(5) 0.9499
C(11) H(6) 0.9500
C(12) H(7) 0.9499
C(12) H(8) 0.9500
C(15) H(9) 0.9500
C(16) H(10) 0.9500
C(17) H(11) 0.9501
C(18) H(12) 0.9500
C(21) H(13) 0.9500
C(22) H(14) 0.9499
C(23) H(15) 0.9501
C(24) H(16) 0.9500
C(26) H(17) 0.9500
C(26) H(18) 0.9500
C(26) H(19) 0.9500
C(29) H(20) 0.9500
C(30) H(21) 0.9501
C(31) H(22) 0.9499
C(32) H(23) 0.9501
C(35) H(24) 0.9499
C(36) H(25) 0.9500
C(37) H(26) 0.9501
C(38) H(27) 0.9500
C(40) H(29) 0.9500
C(40) H(30) 0.9501
C(40) H(28) 0.9499
C(42) H(31) 0.9500
C(43) H(32) 0.9500
C(47) H(33) 0.9500
C(48) H(34) 0.9501
C(51) H(35) 0.9501
C(51) H(36) 0.9500
C(52) H(37) 0.9501
C(52) H(38) 0.9500
C(55) H(39) 0.9500
C(56) H(40) 0.9500
C(57) H(41) 0.9499
C(58) H(42) 0.9500
C(61) H(43) 0.9500
C(62) H(44) 0.9500
C(63) H(45) 0.9500
C(64) H(46) 0.9500
C(66) H(47) 0.9500
C(66) H(49) 0.9499
C(66) H(48) 0.9500
C(69) H(50) 0.9500
C(70) H(51) 0.9499
C(71) H(52) 0.9500
C(72) H(53) 0.9500
C(75) H(54) 0.9500
C(76) H(55) 0.9500
C(77) H(56) 0.9499
C(78) H(57) 0.9499
C(80) H(58) 0.9500
C(80) H(60) 0.9501
C(80) H(59) 0.9500
C(82) H(61) 0.9499
C(83) H(62) 0.9499
C(87) H(63) 0.9500
C(88) H(64) 0.9500
C(91) H(65) 0.9500
C(91) H(66) 0.9500
C(92) H(67) 0.9500
C(92) H(68) 0.9501
C(95) H(69) 0.9500
C(96) H(70) 0.9500
C(97) H(71) 0.9500
C(98) H(72) 0.9500
C(101) H(73) 0.9499
C(102) H(74) 0.9501
C(103) H(75) 0.9499
C(104) H(76) 0.9501
C(106) H(77) 0.9499
C(106) H(78) 0.9500
C(106) H(79) 0.9500
C(109) H(80) 0.9499
C(110) H(81) 0.9500
C(111) H(82) 0.9500
C(112) H(83) 0.9499
C(115) H(84) 0.9500
C(116) H(85) 0.9501
C(117) H(86) 0.9499
C(118) H(87) 0.9500
C(120) H(89) 0.9500
C(120) H(90) 0.9500
C(120) H(88) 0.9499
C(122) H(91) 0.9500
C(123) H(92) 0.9500
C(127) H(93) 0.9499
C(128) H(94) 0.9500
C(131) H(95) 0.9500
C(131) H(96) 0.9500
C(132) H(97) 0.9499
C(132) H(98) 0.9499
C(135) H(99) 0.9500
C(136) H(100) 0.9499
C(137) H(101) 0.9498
C(138) H(102) 0.9499
C(141) H(103) 0.9500
C(142) H(104) 0.9501
C(143) H(105) 0.9500
C(144) H(106) 0.9500
C(146) H(107) 0.9500
C(146) H(108) 0.9501
C(146) H(109) 0.9501
C(149) H(110) 0.9499
C(150) H(111) 0.9500
C(151) H(112) 0.9500
C(152) H(113) 0.9500
C(155) H(114) 0.9500
C(156) H(115) 0.9500
C(157) H(116) 0.9500
C(158) H(117) 0.9499
C(160) H(118) 0.9499
C(160) H(119) 0.9500
C(160) H(120) 0.9500
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
N(1) N(2) 3.200(2) .
N(1) C(13) 2.805(2) .
N(1) C(14) 2.415(2) .
N(1) C(18) 2.444(3) .
N(1) C(21) 2.455(2) .
N(1) C(25) 2.411(2) .
N(1) C(27) 3.518(2) .
N(1) C(28) 3.549(2) .
N(1) C(33) 3.326(2) .
N(2) C(26) 3.492(2) .
N(2) C(27) 2.890(3) .
N(2) C(28) 2.426(2) .
N(2) C(32) 2.434(3) .
N(2) C(35) 2.447(3) .
N(2) C(39) 2.416(3) .
N(3) N(4) 3.192(2) .
N(3) C(53) 2.844(2) .
N(3) C(54) 2.424(2) .
N(3) C(58) 2.435(3) .
N(3) C(61) 2.447(2) .
N(3) C(65) 2.415(2) .
N(3) C(74) 3.398(2) .
N(4) C(60) 3.317(3) .
N(4) C(67) 2.840(3) .
N(4) C(68) 2.407(3) .
N(4) C(72) 2.448(3) .
N(4) C(75) 2.433(3) .
N(4) C(79) 2.425(2) .
N(5) N(6) 3.307(2) .
N(5) C(93) 2.832(2) .
N(5) C(94) 2.418(3) .
N(5) C(98) 2.437(2) .
N(5) C(101) 2.434(2) .
N(5) C(105) 2.424(2) .
N(5) C(114) 3.191(2) .
N(5) C(119) 3.356(3) .
N(6) C(40) 3.569(3) .
N(6) C(100) 3.120(2) .
N(6) C(105) 3.304(2) .
N(6) C(107) 2.856(2) .
N(6) C(108) 2.431(2) .
N(6) C(112) 2.437(2) .
N(6) C(115) 2.436(2) .
N(6) C(119) 2.426(3) .
N(7) N(8) 3.299(2) .
N(7) C(133) 2.827(3) .
N(7) C(134) 2.418(2) .
N(7) C(138) 2.439(3) .
N(7) C(141) 2.435(2) .
N(7) C(145) 2.414(3) .
N(7) C(147) 3.591(3) .
N(7) C(148) 3.328(3) .
N(7) C(153) 3.159(2) .
N(8) C(134) 3.362(2) .
N(8) C(139) 3.137(2) .
N(8) C(147) 2.859(2) .
N(8) C(148) 2.426(3) .
N(8) C(152) 2.438(2) .
N(8) C(155) 2.433(2) .
N(8) C(159) 2.434(2) .
C(1) C(3) 2.452(3) .
C(1) C(4) 2.850(2) .
C(1) C(5) 2.421(2) .
C(1) C(9) 2.378(3) .
C(1) C(14) 2.526(2) .
C(1) C(15) 2.904(2) .
C(1) C(24) 2.884(2) .
C(1) C(25) 2.519(2) .
C(1) C(27) 2.563(3) .
C(2) C(4) 2.443(2) .
C(2) C(5) 2.753(2) .
C(2) C(10) 2.376(3) .
C(2) C(13) 2.664(3) .
C(2) C(14) 3.272(3) .
C(2) C(15) 3.299(3) .
C(2) C(24) 3.413(3) .
C(2) C(25) 3.340(3) .
C(2) C(92) 3.587(3) 66502
C(3) C(5) 2.372(3) .
C(3) C(10) 2.766(3) .
C(3) C(11) 2.689(2) .
C(3) C(92) 3.426(2) 66502
C(4) C(6) 2.372(3) .
C(4) C(10) 2.433(3) .
C(4) C(12) 2.459(2) .
C(5) C(7) 2.374(3) .
C(5) C(8) 2.756(3) .
C(5) C(9) 2.422(3) .
C(5) C(11) 2.346(3) .
C(5) C(12) 2.345(2) .
C(6) C(8) 2.444(3) .
C(6) C(9) 2.850(2) .
C(6) C(10) 2.430(2) .
C(6) C(11) 2.456(3) .
C(7) C(9) 2.451(2) .
C(7) C(10) 2.763(2) .
C(7) C(12) 2.683(3) .
C(8) C(10) 2.375(3) .
C(8) C(27) 2.656(2) .
C(8) C(28) 3.322(2) .
C(8) C(29) 3.537(2) .
C(8) C(38) 3.318(3) .
C(8) C(39) 3.215(2) .
C(9) C(13) 2.545(2) .
C(9) C(25) 3.568(2) .
C(9) C(28) 2.526(2) .
C(9) C(29) 2.918(3) .
C(9) C(38) 2.863(3) .
C(9) C(39) 2.495(2) .
C(10) C(13) 2.385(2) .
C(10) C(14) 3.505(2) .
C(10) C(25) 3.421(2) .
C(10) C(27) 2.396(3) .
C(10) C(28) 3.487(3) .
C(10) C(38) 3.592(3) .
C(10) C(39) 3.448(3) .
C(11) C(134) 3.572(2) 45401
C(11) C(139) 3.528(2) 45401
C(12) C(138) 3.481(3) 45401
C(12) C(139) 3.542(3) 45401
C(13) C(15) 2.542(3) .
C(13) C(19) 2.498(2) .
C(13) C(20) 2.507(2) .
C(13) C(24) 2.552(2) .
C(13) C(28) 2.703(3) .
C(13) C(29) 3.352(3) .
C(13) C(38) 3.430(2) .
C(13) C(39) 2.734(3) .
C(14) C(16) 2.421(3) .
C(14) C(17) 2.788(3) .
C(14) C(18) 2.419(2) .
C(14) C(20) 2.820(2) .
C(14) C(25) 2.458(3) .
C(14) C(27) 2.693(2) .
C(14) C(34) 3.573(3) .
C(14) C(38) 3.303(2) .
C(14) C(39) 2.878(3) .
C(15) C(17) 2.389(2) .
C(15) C(18) 2.762(2) .
C(15) C(19) 2.409(3) .
C(15) C(27) 3.533(3) .
C(15) C(38) 3.230(3) .
C(15) C(39) 3.402(3) .
C(16) C(18) 2.396(3) .
C(16) C(19) 2.791(3) .
C(16) C(21) 3.478(3) 66502
C(17) C(19) 2.413(3) .
C(17) C(20) 3.298(3) 66502
C(17) C(21) 3.457(3) 66502
C(17) C(25) 3.573(2) 66502
C(18) C(26) 2.851(3) .
C(19) C(20) 2.408(3) .
C(19) C(25) 2.797(3) .
C(19) C(26) 2.460(3) .
C(19) C(27) 3.424(2) .
C(19) C(34) 3.522(3) .
C(19) C(39) 3.382(2) .
C(20) C(17) 3.298(3) 66502
C(20) C(22) 2.418(3) .
C(20) C(23) 2.801(3) .
C(20) C(24) 2.408(3) .
C(20) C(26) 2.461(3) .
C(20) C(27) 3.389(2) .
C(20) C(28) 3.175(2) .
C(20) C(33) 3.298(3) .
C(21) C(16) 3.478(3) 66502
C(21) C(17) 3.457(3) 66502
C(21) C(23) 2.405(3) .
C(21) C(24) 2.760(3) .
C(21) C(25) 2.420(2) .
C(21) C(26) 2.864(3) .
C(22) C(24) 2.385(2) .
C(22) C(25) 2.788(2) .
C(23) C(25) 2.427(3) .
C(24) C(27) 3.544(2) .
C(24) C(28) 3.441(3) .
C(24) C(29) 3.099(3) .
C(25) C(17) 3.573(2) 66502
C(25) C(27) 2.692(2) .
C(25) C(28) 2.815(3) .
C(25) C(29) 3.075(3) .
C(25) C(33) 3.530(3) .
C(26) C(40) 3.509(3) .
C(27) C(29) 2.516(3) .
C(27) C(33) 2.552(3) .
C(27) C(34) 2.551(3) .
C(27) C(38) 2.526(3) .
C(28) C(30) 2.428(3) .
C(28) C(31) 2.784(3) .
C(28) C(32) 2.426(3) .
C(28) C(34) 2.816(3) .
C(28) C(39) 2.473(3) .
C(29) C(31) 2.379(3) .
C(29) C(32) 2.759(3) .
C(29) C(33) 2.419(3) .
C(29) C(106) 3.509(2) 65502
C(30) C(32) 2.397(3) .
C(30) C(33) 2.807(3) .
C(30) C(46) 3.581(3) .
C(30) C(106) 3.552(2) 65502
C(31) C(33) 2.414(3) .
C(32) C(40) 2.838(3) .
C(32) C(115) 3.548(3) 65502
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C(153) C(159) 2.822(2) .
C(153) C(160) 2.471(3) .
C(154) C(156) 2.423(2) .
C(154) C(157) 2.804(2) .
C(154) C(158) 2.411(2) .
C(154) C(160) 2.460(3) .
C(155) C(157) 2.400(3) .
C(155) C(158) 2.758(3) .
C(155) C(159) 2.424(3) .
C(155) C(160) 2.830(2) .
C(156) C(158) 2.391(3) .
C(156) C(159) 2.802(3) .
C(157) C(159) 2.438(2) .
N(1) H(12) 2.6284 .
N(1) H(13) 2.6455 .
N(1) H(17) 1.9863 .
N(1) H(18) 1.9829 .
N(1) H(19) 1.9819 .
N(2) H(23) 2.6143 .
N(2) H(24) 2.6305 .
N(2) H(18) 3.2878 .
N(2) H(29) 1.9864 .
N(2) H(30) 1.9848 .
N(2) H(28) 1.9831 .
N(2) H(19) 3.3768 .
N(2) H(90) 3.5697 65502
N(3) H(42) 2.6150 .
N(3) H(43) 2.6336 .
N(3) H(58) 3.4210 .
N(3) H(47) 1.9852 .
N(3) H(49) 1.9857 .
N(3) H(48) 1.9864 .
N(4) H(53) 2.6414 .
N(4) H(54) 2.6166 .
N(4) H(113) 3.4103 65602
N(4) H(58) 1.9866 .
N(4) H(60) 1.9807 .
N(4) H(49) 3.3730 .
N(4) H(59) 1.9872 .
N(4) H(120) 3.5123 65602
N(5) H(37) 3.3178 65501
N(5) H(72) 2.6184 .
N(5) H(73) 2.6133 .
N(5) H(77) 1.9794 .
N(5) H(78) 1.9806 .
N(5) H(79) 1.9796 .
N(5) H(90) 3.5507 .
N(6) H(83) 2.6141 .
N(6) H(84) 2.6123 .
N(6) H(30) 3.1410 .
N(6) H(28) 3.2457 .
N(6) H(78) 3.4183 .
N(6) H(89) 1.9846 .
N(6) H(90) 1.9850 .
N(6) H(88) 1.9842 .
N(7) H(7) 3.3059 65601
N(7) H(8) 3.5589 65601
N(7) H(102) 2.6210 .
N(7) H(103) 2.6204 .
N(7) H(107) 1.9834 .
N(7) H(108) 1.9830 .
N(7) H(109) 1.9833 .
N(7) H(120) 3.5353 .
N(8) H(54) 3.1851 .
N(8) H(113) 2.6156 .
N(8) H(114) 2.6050 .
N(8) H(108) 3.3595 .
N(8) H(118) 1.9841 .
N(8) H(119) 1.9835 .
N(8) H(120) 1.9835 .
C(1) H(1) 2.0280 .
C(1) H(2) 3.3003 .
C(1) H(9) 2.5523 .
C(1) H(16) 2.5166 .
C(1) H(20) 3.5432 .
C(1) H(27) 3.4014 .
C(1) H(68) 3.3718 66502
C(2) H(2) 2.0757 .
C(2) H(9) 2.7947 .
C(2) H(12) 3.5517 66502
C(2) H(16) 2.8873 .
C(2) H(44) 3.4256 55401
C(2) H(68) 2.8451 66502
C(3) H(1) 2.0724 .
C(3) H(5) 3.0294 .
C(3) H(6) 2.9643 .
C(3) H(44) 3.4499 55401
C(3) H(66) 3.2360 66502
C(3) H(68) 2.7881 66502
C(4) H(1) 3.2896 .
C(4) H(2) 2.0201 .
C(4) H(5) 2.0630 .
C(4) H(6) 2.0546 .
C(4) H(7) 3.1063 .
C(4) H(8) 3.0710 .
C(4) H(52) 2.9318 55401
C(4) H(66) 3.2406 66502
C(4) H(68) 3.2675 66502
C(4) H(70) 3.3621 45501
C(5) H(2) 3.2360 .
C(5) H(3) 3.2397 .
C(5) H(5) 2.9517 .
C(5) H(6) 2.9993 .
C(5) H(7) 2.9776 .
C(5) H(8) 2.9718 .
C(5) H(52) 2.6901 55401
C(5) H(70) 3.1976 45501
C(6) H(3) 2.0261 .
C(6) H(4) 3.2945 .
C(6) H(5) 3.0691 .
C(6) H(6) 3.1033 .
C(6) H(7) 2.0497 .
C(6) H(8) 2.0569 .
C(6) H(52) 2.7301 55401
C(6) H(70) 3.4043 45501
C(6) H(71) 3.2467 45501
C(7) H(4) 2.0758 .
C(7) H(7) 3.0008 .
C(7) H(8) 2.9733 .
C(7) H(52) 3.3231 55401
C(7) H(71) 3.2022 45501
C(7) H(73) 2.8982 65502
C(7) H(74) 3.5653 65502
C(7) H(111) 3.4236 65502
C(7) H(112) 3.5651 65502
C(8) H(3) 2.0726 .
C(8) H(20) 3.1456 .
C(8) H(27) 2.9778 .
C(8) H(73) 2.8951 65502
C(8) H(111) 3.2873 65502
C(8) H(112) 3.3660 65502
C(8) H(78) 3.1276 65502
C(9) H(3) 3.2991 .
C(9) H(4) 2.0260 .
C(9) H(20) 2.5750 .
C(9) H(27) 2.5397 .
C(10) H(1) 3.2401 .
C(10) H(4) 3.2361 .
C(10) H(9) 3.2878 .
C(10) H(16) 3.1265 .
C(10) H(20) 3.0938 .
C(10) H(27) 3.0026 .
C(10) H(52) 3.2727 55401
C(11) H(2) 2.9478 .
C(11) H(7) 2.0942 .
C(11) H(8) 2.1141 .
C(11) H(51) 3.1164 55401
C(11) H(52) 3.2032 55401
C(11) H(66) 3.3691 66502
C(11) H(70) 3.5594 45501
C(11) H(91) 3.3654 45401
C(12) H(3) 2.9446 .
C(12) H(5) 2.1137 .
C(12) H(6) 2.0937 .
C(12) H(51) 3.1527 55401
C(12) H(52) 3.0154 55401
C(12) H(102) 3.5359 45401
C(12) H(103) 3.3249 65502
C(12) H(107) 3.5831 45401
C(13) H(1) 2.9037 .
C(13) H(9) 2.7026 .
C(13) H(16) 2.7112 .
C(13) H(20) 3.3299 .
C(13) H(27) 3.3371 .
C(14) H(1) 3.2135 .
C(14) H(9) 2.0353 .
C(14) H(10) 3.2774 .
C(14) H(12) 3.2764 .
C(14) H(27) 3.3488 .
C(15) H(1) 3.2352 .
C(15) H(10) 2.0347 .
C(15) H(11) 3.2466 .
C(15) H(27) 3.0701 .
C(15) H(17) 3.2738 66502
C(16) H(9) 2.0274 .
C(16) H(11) 2.0292 .
C(16) H(12) 3.2520 .
C(16) H(13) 3.4674 66502
C(16) H(43) 3.3520 55401
C(16) H(115) 3.1191 55401
C(16) H(116) 3.5058 55401
C(16) H(17) 3.2135 66502
C(16) H(60) 3.5030 55401
C(17) H(9) 3.2448 .
C(17) H(10) 2.0336 .
C(17) H(12) 2.0262 .
C(17) H(63) 3.0752 .
C(17) H(64) 3.5708 .
C(17) H(115) 2.9916 55401
C(17) H(116) 3.3141 55401
C(18) H(1) 3.4682 66502
C(18) H(10) 3.2534 .
C(18) H(11) 2.0246 .
C(18) H(63) 3.2959 .
C(18) H(64) 3.3072 .
C(18) H(17) 3.0507 .
C(18) H(19) 2.5577 .
C(19) H(9) 3.2653 .
C(19) H(11) 3.2688 .
C(19) H(12) 2.0447 .
C(19) H(17) 2.8603 .
C(19) H(18) 3.2040 .
C(19) H(19) 2.5454 .
C(20) H(11) 3.1128 66502
C(20) H(13) 2.0472 .
C(20) H(14) 3.2723 .
C(20) H(16) 3.2634 .
C(20) H(17) 2.7829 .
C(20) H(18) 2.6029 .
C(20) H(19) 3.2279 .
C(21) H(10) 3.1666 66502
C(21) H(11) 3.1163 66502
C(21) H(14) 2.0261 .
C(21) H(15) 3.2628 .
C(21) H(40) 3.3057 .
C(21) H(43) 3.4284 66602
C(21) H(17) 2.9396 .
C(21) H(18) 2.6710 .
C(22) H(11) 3.1537 66502
C(22) H(13) 2.0294 .
C(22) H(15) 2.0405 .
C(22) H(16) 3.2412 .
C(22) H(116) 2.9652 66602
C(22) H(47) 3.4660 66602
C(23) H(11) 3.1550 66502
C(23) H(13) 3.2600 .
C(23) H(14) 2.0323 .
C(23) H(16) 2.0247 .
C(23) H(20) 3.5998 .
C(23) H(63) 3.4488 66502
C(23) H(116) 3.2190 66602
C(24) H(1) 3.4607 .
C(24) H(11) 3.1684 66502
C(24) H(14) 3.2438 .
C(24) H(15) 2.0386 .
C(24) H(20) 2.9407 .
C(24) H(63) 3.2790 66502
C(24) H(68) 3.1796 66502
C(25) H(1) 3.3441 .
C(25) H(11) 3.1917 66502
C(25) H(13) 3.2779 .
C(25) H(15) 3.2824 .
C(25) H(16) 2.0311 .
C(25) H(20) 3.1799 .
C(26) H(12) 2.5169 .
C(26) H(13) 2.5330 .
C(26) H(40) 3.3885 .
C(26) H(44) 3.3056 66602
C(26) H(29) 3.1180 .
C(26) H(28) 3.4151 .
C(27) H(4) 2.8835 .
C(27) H(20) 2.6545 .
C(27) H(27) 2.6538 .
C(28) H(4) 3.2766 .
C(28) H(20) 2.0254 .
C(28) H(21) 3.2819 .
C(28) H(23) 3.2838 .
C(28) H(78) 3.5620 65502
C(28) H(90) 3.2869 65502
C(29) H(4) 3.5819 .
C(29) H(16) 3.2874 .
C(29) H(21) 2.0427 .
C(29) H(22) 3.2375 .
C(29) H(78) 3.0924 65502
C(29) H(79) 3.2404 65502
C(30) H(20) 2.0324 .
C(30) H(22) 2.0170 .
C(30) H(23) 3.2520 .
C(30) H(36) 3.3784 .
C(30) H(38) 3.1546 .
C(30) H(78) 3.4561 65502
C(30) H(79) 2.9404 65502
C(31) H(20) 3.2359 .
C(31) H(21) 2.0316 .
C(31) H(23) 2.0274 .
C(31) H(39) 3.2496 .
C(31) H(57) 3.3294 .
C(31) H(84) 3.2392 65502
C(31) H(85) 3.1969 65502
C(31) H(79) 3.5143 65502
C(32) H(21) 3.2551 .
C(32) H(22) 2.0189 .
C(32) H(57) 3.5826 .
C(32) H(84) 2.8029 65502
C(32) H(85) 3.3124 65502
C(32) H(18) 3.5783 .
C(32) H(29) 2.5596 .
C(32) H(30) 3.0202 .
C(33) H(20) 3.2747 .
C(33) H(22) 3.2676 .
C(33) H(23) 2.0401 .
C(33) H(84) 3.1456 65502
C(33) H(18) 3.4536 .
C(33) H(29) 2.5628 .
C(33) H(30) 2.8215 .
C(33) H(28) 3.2021 .
C(33) H(90) 3.2520 65502
C(34) H(24) 2.0595 .
C(34) H(25) 3.2696 .
C(34) H(27) 3.2483 .
C(34) H(29) 3.2029 .
C(34) H(30) 2.8300 .
C(34) H(28) 2.5442 .
C(34) H(89) 3.5253 65502
C(34) H(90) 3.5992 65502
C(35) H(25) 2.0103 .
C(35) H(26) 3.2499 .
C(35) H(30) 2.9986 .
C(35) H(28) 2.5478 .
C(36) H(24) 2.0253 .
C(36) H(26) 2.0284 .
C(36) H(27) 3.2197 .
C(36) H(114) 3.0871 55401
C(36) H(115) 3.3388 55401
C(37) H(24) 3.2482 .
C(37) H(25) 2.0160 .
C(37) H(27) 2.0190 .
C(37) H(53) 3.3853 55401
C(37) H(112) 2.9213 65502
C(37) H(114) 3.2977 55401
C(37) H(115) 3.3971 55401
C(37) H(60) 3.5602 55401
C(37) H(59) 3.3746 55401
C(38) H(4) 3.3660 .
C(38) H(9) 3.2138 .
C(38) H(25) 3.2247 .
C(38) H(26) 2.0374 .
C(38) H(53) 3.2012 55401
C(38) H(112) 2.8388 65502
C(39) H(4) 3.1721 .
C(39) H(24) 3.2913 .
C(39) H(26) 3.2922 .
C(39) H(27) 2.0251 .
C(40) H(23) 2.4902 .
C(40) H(24) 2.4910 .
C(40) H(18) 3.1456 .
C(40) H(19) 3.1964 .
C(41) H(31) 2.0259 .
C(41) H(32) 3.2999 .
C(41) H(39) 2.5099 .
C(41) H(46) 2.5664 .
C(41) H(50) 3.3060 .
C(41) H(97) 3.3873 66602
C(42) H(14) 3.4557 .
C(42) H(32) 2.0734 .
C(42) H(39) 2.9353 .
C(42) H(42) 3.5482 66602
C(42) H(46) 2.9023 .
C(42) H(97) 2.7871 66602
C(43) H(14) 3.2934 .
C(43) H(31) 2.0692 .
C(43) H(35) 3.0044 .
C(43) H(36) 2.9902 .
C(43) H(95) 3.1305 66602
C(43) H(97) 2.8889 66602
C(44) H(21) 3.0638 .
C(44) H(31) 3.2883 .
C(44) H(32) 2.0213 .
C(44) H(35) 2.0657 .
C(44) H(36) 2.0524 .
C(44) H(37) 3.0806 .
C(44) H(38) 3.1004 .
C(44) H(95) 3.3047 66602
C(44) H(97) 3.5530 66602
C(45) H(21) 3.0407 .
C(45) H(22) 3.0881 .
C(45) H(32) 3.2328 .
C(45) H(33) 3.2440 .
C(45) H(35) 2.9807 .
C(45) H(36) 2.9684 .
C(45) H(37) 2.9607 .
C(45) H(38) 2.9856 .
C(45) H(50) 3.5178 .
C(45) H(105) 3.5920 45501
C(46) H(21) 2.8660 .
C(46) H(22) 3.2201 .
C(46) H(33) 2.0253 .
C(46) H(34) 3.2903 .
C(46) H(35) 3.1063 .
C(46) H(36) 3.0787 .
C(46) H(37) 2.0534 .
C(46) H(38) 2.0548 .
C(46) H(72) 3.5252 65502
C(47) H(22) 3.3121 .
C(47) H(34) 2.0751 .
C(47) H(37) 3.0008 .
C(47) H(38) 2.9833 .
C(47) H(72) 3.4995 65502
C(47) H(102) 3.2342 65602
C(48) H(22) 3.3299 .
C(48) H(33) 2.0773 .
C(48) H(50) 2.9815 .
C(48) H(57) 2.9225 .
C(48) H(85) 3.3204 65502
C(48) H(86) 3.3536 65502
C(48) H(102) 3.1020 65602
C(48) H(108) 3.4214 65602
C(49) H(22) 3.2596 .
C(49) H(33) 3.2995 .
C(49) H(34) 2.0185 .
C(49) H(39) 3.4449 .
C(49) H(50) 2.4726 .
C(49) H(57) 2.5862 .
C(50) H(22) 3.1074 .
C(50) H(31) 3.2348 .
C(50) H(34) 3.2321 .
C(50) H(39) 2.9571 .
C(50) H(46) 3.3242 .
C(50) H(50) 2.8099 .
C(50) H(57) 3.3371 .
C(51) H(21) 2.8653 .
C(51) H(32) 2.9505 .
C(51) H(37) 2.0937 .
C(51) H(38) 2.1151 .
C(51) H(61) 3.1271 45501
C(51) H(95) 3.5627 66602
C(52) H(21) 2.7216 .
C(52) H(33) 2.9494 .
C(52) H(35) 2.1175 .
C(52) H(36) 2.0961 .
C(52) H(72) 3.0544 65502
C(53) H(31) 2.9092 .
C(53) H(39) 2.6925 .
C(53) H(46) 2.6846 .
C(53) H(50) 3.4044 .
C(53) H(57) 3.4978 .
C(54) H(31) 3.3187 .
C(54) H(39) 2.0347 .
C(54) H(40) 3.2788 .
C(54) H(42) 3.2786 .
C(54) H(57) 3.3156 .
C(55) H(22) 3.5153 .
C(55) H(31) 3.4892 .
C(55) H(40) 2.0342 .
C(55) H(41) 3.2430 .
C(55) H(57) 3.0359 .
C(55) H(47) 3.1527 66602
C(56) H(13) 3.2013 .
C(56) H(39) 2.0234 .
C(56) H(41) 2.0295 .
C(56) H(42) 3.2531 .
C(56) H(43) 3.4031 66602
C(56) H(82) 3.1723 .
C(56) H(18) 3.4658 .
C(56) H(47) 3.2239 66602
C(57) H(39) 3.2427 .
C(57) H(40) 2.0386 .
C(57) H(42) 2.0218 .
C(57) H(81) 3.2092 .
C(57) H(82) 2.8527 .
C(57) H(93) 3.1505 .
C(58) H(31) 3.5239 66602
C(58) H(40) 3.2544 .
C(58) H(41) 2.0215 .
C(58) H(93) 3.3115 .
C(58) H(94) 3.3876 .
C(58) H(47) 2.9682 .
C(58) H(48) 2.5711 .
C(59) H(39) 3.2660 .
C(59) H(41) 3.2653 .
C(59) H(42) 2.0432 .
C(59) H(47) 2.8208 .
C(59) H(49) 3.2117 .
C(59) H(48) 2.5596 .
C(60) H(41) 3.1746 66602
C(60) H(43) 2.0474 .
C(60) H(44) 3.2754 .
C(60) H(46) 3.2586 .
C(60) H(47) 2.8322 .
C(60) H(49) 2.5809 .
C(60) H(48) 3.2214 .
C(61) H(10) 3.3528 55601
C(61) H(13) 3.4532 66602
C(61) H(40) 3.3532 66602
C(61) H(41) 3.0315 66602
C(61) H(44) 2.0266 .
C(61) H(45) 3.2561 .
C(61) H(17) 3.4999 66602
C(61) H(60) 3.5772 .
C(61) H(47) 3.0314 .
C(61) H(49) 2.5962 .
C(62) H(9) 3.5838 55601
C(62) H(41) 3.0760 66602
C(62) H(43) 2.0268 .
C(62) H(45) 2.0349 .
C(62) H(46) 3.2385 .
C(62) H(81) 3.0253 66602
C(62) H(17) 3.2783 66602
C(63) H(41) 3.2087 66602
C(63) H(43) 3.2520 .
C(63) H(44) 2.0283 .
C(63) H(46) 2.0265 .
C(63) H(81) 3.1635 66602
C(63) H(93) 3.5613 66602
C(64) H(31) 3.3401 .
C(64) H(41) 3.3388 66602
C(64) H(44) 3.2445 .
C(64) H(45) 2.0438 .
C(64) H(50) 3.2530 .
C(64) H(93) 3.4466 66602
C(64) H(97) 3.1734 66602
C(65) H(31) 3.2534 .
C(65) H(41) 3.3700 66602
C(65) H(43) 3.2797 .
C(65) H(45) 3.2863 .
C(65) H(46) 2.0276 .
C(65) H(50) 3.5834 .
C(66) H(14) 3.3448 66602
C(66) H(42) 2.4816 .
C(66) H(43) 2.5266 .
C(66) H(58) 3.0167 .
C(66) H(60) 3.4171 .
C(67) H(34) 2.8930 .
C(67) H(39) 3.4958 .
C(67) H(46) 3.5402 .
C(67) H(50) 2.6730 .
C(67) H(57) 2.6841 .
C(68) H(34) 3.3445 .
C(68) H(46) 3.3312 .
C(68) H(50) 2.0303 .
C(68) H(51) 3.2875 .
C(68) H(53) 3.2822 .
C(68) H(108) 3.3629 65602
C(68) H(120) 3.3717 65602
C(69) H(46) 2.9496 .
C(69) H(51) 2.0357 .
C(69) H(52) 3.2195 .
C(69) H(107) 3.2967 65602
C(69) H(108) 2.9526 65602
C(69) H(109) 3.1610 65602
C(70) H(6) 3.1214 55601
C(70) H(8) 3.1411 55601
C(70) H(46) 3.5036 .
C(70) H(50) 2.0236 .
C(70) H(52) 2.0113 .
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C(152) H(119) 3.0937 .
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C(153) H(54) 3.0781 .
C(153) H(55) 3.2456 .
C(153) H(110) 3.2644 .
C(153) H(112) 3.2706 .
C(153) H(113) 2.0429 .
C(153) H(108) 3.5136 .
C(153) H(109) 3.4424 .
C(153) H(118) 3.2048 .
C(153) H(119) 2.8848 .
C(153) H(120) 2.5527 .
C(154) H(54) 3.1515 .
C(154) H(114) 2.0370 .
C(154) H(115) 3.2762 .
C(154) H(117) 3.2668 .
C(154) H(58) 3.1125 .
C(154) H(59) 3.5401 .
C(154) H(118) 2.5859 .
C(154) H(119) 2.8011 .
C(154) H(120) 3.2237 .
C(155) H(25) 3.3182 55601
C(155) H(26) 3.4763 55601
C(155) H(115) 2.0318 .
C(155) H(116) 3.2599 .
C(155) H(58) 2.9616 .
C(155) H(60) 3.5984 .
C(155) H(59) 3.0925 .
C(155) H(118) 2.6045 .
C(155) H(119) 2.9398 .
C(156) H(10) 3.4637 55601
C(156) H(11) 3.4015 55601
C(156) H(114) 2.0333 .
C(156) H(116) 2.0352 .
C(156) H(117) 3.2454 .
C(156) H(58) 3.0094 .
C(156) H(60) 3.3387 .
C(156) H(59) 3.4633 .
C(157) H(10) 3.4591 55601
C(157) H(11) 3.3079 55601
C(157) H(14) 3.5880 66602
C(157) H(99) 3.3608 .
C(157) H(114) 3.2558 .
C(157) H(115) 2.0301 .
C(157) H(117) 2.0327 .
C(157) H(58) 3.1591 .
C(157) H(49) 3.2480 .
C(157) H(48) 3.4805 .
C(158) H(99) 2.9556 .
C(158) H(115) 3.2516 .
C(158) H(116) 2.0453 .
C(158) H(58) 3.2882 .
C(158) H(49) 3.5662 .
C(158) H(48) 3.1595 .
C(159) H(54) 3.3984 .
C(159) H(94) 3.5637 .
C(159) H(99) 3.1156 .
C(159) H(114) 3.2796 .
C(159) H(116) 3.2921 .
C(159) H(117) 2.0315 .
C(159) H(58) 3.3089 .
C(160) H(34) 3.4318 65602
C(160) H(113) 2.5175 .
C(160) H(114) 2.4739 .
C(160) H(108) 3.0587 .
H(1) C(18) 3.4682 66502
H(1) C(86) 3.3142 66502
H(1) C(87) 3.2323 66502
H(2) C(84) 3.4811 66502
H(2) C(85) 3.3701 66502
H(2) C(86) 3.3638 66502
H(2) C(91) 3.4850 66502
H(2) C(92) 3.4297 66502
H(3) C(101) 3.1316 65502
H(3) C(102) 3.2669 65502
H(3) C(142) 3.3865 65502
H(3) C(150) 3.4703 65502
H(4) C(101) 3.1086 65502
H(4) C(106) 3.5169 65502
H(4) C(120) 3.1847 65502
H(4) C(150) 3.5421 65502
H(5) C(134) 2.8619 45401
H(5) C(135) 2.9197 45401
H(5) C(136) 3.1302 45401
H(5) C(137) 3.2472 45401
H(5) C(138) 3.1880 45401
H(5) C(139) 2.9927 45401
H(6) C(70) 3.1214 55401
H(6) C(71) 3.4544 55401
H(6) C(134) 3.5667 45401
H(6) C(140) 3.5735 45401
H(6) C(145) 3.4908 45401
H(7) N(7) 3.3059 45401
H(7) C(137) 3.2588 45401
H(7) C(138) 2.6537 45401
H(7) C(139) 2.9707 45401
H(7) C(146) 3.5940 45401
H(8) N(7) 3.5589 45401
H(8) C(70) 3.1411 55401
H(8) C(71) 3.2717 55401
H(8) C(141) 3.3612 65502
H(9) C(62) 3.5838 55401
H(10) C(21) 3.1666 66502
H(10) C(61) 3.3528 55401
H(10) C(156) 3.4637 55401
H(10) C(157) 3.4591 55401
H(11) C(20) 3.1128 66502
H(11) C(21) 3.1163 66502
H(11) C(22) 3.1537 66502
H(11) C(23) 3.1550 66502
H(11) C(24) 3.1684 66502
H(11) C(25) 3.1917 66502
H(11) C(156) 3.4015 55401
H(11) C(157) 3.3079 55401
H(12) C(2) 3.5517 66502
H(13) C(16) 3.4674 66502
H(13) C(61) 3.4532 66602
H(14) C(66) 3.3448 66602
H(14) C(157) 3.5880 66602
H(16) C(86) 3.5956 66502
H(16) C(92) 3.0057 66502
H(20) C(106) 3.4513 65502
H(21) C(106) 3.5434 65502
H(22) C(116) 3.5071 65502
H(23) C(115) 3.5732 65502
H(25) C(155) 3.3182 55401
H(26) C(80) 3.1388 55401
H(26) C(151) 3.2852 65502
H(26) C(155) 3.4763 55401
H(27) C(72) 3.3016 55401
H(27) C(151) 3.4352 65502
H(31) C(58) 3.5239 66602
H(31) C(126) 3.1302 66602
H(31) C(127) 3.1339 66602
H(31) C(132) 3.4648 66602
H(32) C(124) 3.2720 66602
H(32) C(125) 3.2121 66602
H(32) C(126) 3.3111 66602
H(32) C(131) 3.3398 66602
H(32) C(132) 3.3903 66602
H(33) C(97) 3.1897 65502
H(33) C(98) 3.0716 65502
H(33) C(117) 3.4398 65502
H(33) C(138) 3.5650 65602
H(34) C(116) 3.5643 65502
H(34) C(117) 3.3357 65502
H(34) C(138) 3.3116 65602
H(34) C(160) 3.4318 65602
H(35) C(82) 3.5204 45501
H(35) C(100) 3.0567 45501
H(35) C(101) 3.2910 45501
H(35) C(102) 3.3074 45501
H(35) C(103) 3.1101 45501
H(35) C(104) 2.8452 45501
H(35) C(105) 2.8222 45501
H(36) C(82) 3.5611 45501
H(37) N(5) 3.3178 45501
H(37) C(100) 2.9391 45501
H(37) C(101) 2.6732 45501
H(37) C(102) 3.2374 45501
H(38) C(98) 3.3793 65502
H(38) C(106) 3.4201 65502
H(40) C(61) 3.3532 66602
H(41) C(60) 3.1746 66602
H(41) C(61) 3.0315 66602
H(41) C(62) 3.0760 66602
H(41) C(63) 3.2087 66602
H(41) C(64) 3.3388 66602
H(41) C(65) 3.3700 66602
H(42) C(42) 3.5482 66602
H(43) C(16) 3.3520 55601
H(43) C(21) 3.4284 66602
H(43) C(56) 3.4031 66602
H(44) C(2) 3.4256 55601
H(44) C(3) 3.4499 55601
H(44) C(26) 3.3056 66602
H(46) C(132) 3.1006 66602
H(50) C(142) 3.2909 45501
H(50) C(143) 3.3696 45501
H(50) C(146) 3.4428 65602
H(51) C(11) 3.1164 55601
H(51) C(12) 3.1527 55601
H(51) C(141) 3.4494 45501
H(51) C(142) 3.2998 45501
H(51) C(143) 3.5632 45501
H(51) C(146) 3.2637 65602
H(52) C(4) 2.9318 55601
H(52) C(5) 2.6901 55601
H(52) C(6) 2.7301 55601
H(52) C(7) 3.3231 55601
H(52) C(10) 3.2727 55601
H(52) C(11) 3.2032 55601
H(52) C(12) 3.0154 55601
H(53) C(37) 3.3853 55601
H(53) C(38) 3.2012 55601
H(53) C(151) 3.4818 65602
H(53) C(152) 3.5340 65602
H(57) C(116) 3.5100 65502
H(61) C(51) 3.1271 65501
H(63) C(23) 3.4488 66502
H(63) C(24) 3.2790 66502
H(66) C(3) 3.2360 66502
H(66) C(4) 3.2406 66502
H(66) C(11) 3.3691 66502
H(68) C(1) 3.3718 66502
H(68) C(2) 2.8451 66502
H(68) C(3) 2.7881 66502
H(68) C(4) 3.2675 66502
H(68) C(24) 3.1796 66502
H(70) C(4) 3.3621 65501
H(70) C(5) 3.1976 65501
H(70) C(6) 3.4043 65501
H(70) C(11) 3.5594 65501
H(70) C(136) 3.5855 55401
H(70) C(137) 3.3373 55401
H(71) C(6) 3.2467 65501
H(71) C(7) 3.2022 65501
H(72) C(46) 3.5252 65502
H(72) C(47) 3.4995 65502
H(72) C(52) 3.0544 65502
H(73) C(7) 2.8982 65502
H(73) C(8) 2.8951 65502
H(74) C(7) 3.5653 65502
H(81) C(62) 3.0253 66602
H(81) C(63) 3.1635 66602
H(84) C(31) 3.2392 65502
H(84) C(32) 2.8029 65502
H(84) C(33) 3.1456 65502
H(85) C(31) 3.1969 65502
H(85) C(32) 3.3124 65502
H(85) C(48) 3.3204 65502
H(85) C(77) 3.4218 65502
H(85) C(78) 3.1309 65502
H(86) C(48) 3.3536 65502
H(86) C(137) 2.9363 55401
H(86) C(138) 3.4131 55401
H(87) C(136) 2.9670 55401
H(87) C(137) 2.8510 55401
H(91) C(11) 3.3654 65601
H(93) C(63) 3.5613 66602
H(93) C(64) 3.4466 66602
H(95) C(43) 3.1305 66602
H(95) C(44) 3.3047 66602
H(95) C(51) 3.5627 66602
H(97) C(41) 3.3873 66602
H(97) C(42) 2.7871 66602
H(97) C(43) 2.8889 66602
H(97) C(44) 3.5530 66602
H(97) C(64) 3.1734 66602
H(100) C(87) 3.5500 55601
H(100) C(88) 3.4453 55601
H(100) C(95) 3.4424 55601
H(100) C(118) 3.4852 55601
H(101) C(95) 3.2077 55601
H(101) C(96) 2.8996 55601
H(101) C(97) 3.1420 55601
H(101) C(117) 2.8157 55601
H(101) C(118) 2.7322 55601
H(102) C(12) 3.5359 65601
H(102) C(47) 3.2342 65602
H(102) C(48) 3.1020 65602
H(103) C(12) 3.3249 65502
H(105) C(45) 3.5920 65501
H(111) C(7) 3.4236 65502
H(111) C(8) 3.2873 65502
H(112) C(7) 3.5651 65502
H(112) C(8) 3.3660 65502
H(112) C(37) 2.9213 65502
H(112) C(38) 2.8388 65502
H(112) C(71) 3.5697 65602
H(112) C(72) 3.2895 65602
H(113) N(4) 3.4103 65602
H(113) C(72) 2.9861 65602
H(113) C(73) 3.1707 65602
H(113) C(80) 3.5973 65602
H(114) C(36) 3.0871 55601
H(114) C(37) 3.2977 55601
H(115) C(16) 3.1191 55601
H(115) C(17) 2.9916 55601
H(115) C(36) 3.3388 55601
H(115) C(37) 3.3971 55601
H(116) C(16) 3.5058 55601
H(116) C(17) 3.3141 55601
H(116) C(22) 2.9652 66602
H(116) C(23) 3.2190 66602
H(17) C(15) 3.2738 66502
H(17) C(16) 3.2135 66502
H(17) C(61) 3.4999 66602
H(17) C(62) 3.2783 66602
H(60) C(16) 3.5030 55601
H(60) C(37) 3.5602 55601
H(47) C(22) 3.4660 66602
H(47) C(55) 3.1527 66602
H(47) C(56) 3.2239 66602
H(59) C(37) 3.3746 55601
H(78) C(8) 3.1276 65502
H(78) C(28) 3.5620 65502
H(78) C(29) 3.0924 65502
H(78) C(30) 3.4561 65502
H(79) C(29) 3.2404 65502
H(79) C(30) 2.9404 65502
H(79) C(31) 3.5143 65502
H(89) C(34) 3.5253 65502
H(90) N(2) 3.5697 65502
H(90) C(28) 3.2869 65502
H(90) C(33) 3.2520 65502
H(90) C(34) 3.5992 65502
H(107) C(12) 3.5831 65601
H(107) C(69) 3.2967 65602
H(107) C(70) 3.1729 65602
H(108) C(48) 3.4214 65602
H(108) C(68) 3.3629 65602
H(108) C(69) 2.9526 65602
H(108) C(70) 3.2050 65602
H(109) C(69) 3.1610 65602
H(109) C(70) 2.7084 65602
H(109) C(71) 2.9871 65602
H(119) C(74) 3.4904 65602
H(119) C(75) 3.4559 65602
H(120) N(4) 3.5123 65602
H(120) C(68) 3.3717 65602
H(120) C(73) 3.2785 65602
H(120) C(74) 3.4295 65602
H(120) C(79) 3.5844 65602
N(1) N(2) 3.200(2) .
N(3) N(4) 3.192(2) .
N(5) N(6) 3.307(2) .
N(7) N(8) 3.299(2) .
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
C(20) N(1) C(19) C(14) -28.7(2)
C(20) N(1) C(19) C(18) 150.6(2)
C(26) N(1) C(19) C(14) 170.5(2)
C(26) N(1) C(19) C(18) -10.3(3)
C(19) N(1) C(20) C(21) -154.2(2)
C(19) N(1) C(20) C(25) 25.3(2)
C(26) N(1) C(20) C(21) 6.7(3)
C(26) N(1) C(20) C(25) -173.9(2)
C(34) N(2) C(33) C(28) -17.2(3)
C(34) N(2) C(33) C(32) 161.3(2)
C(40) N(2) C(33) C(28) 177.3(1)
C(40) N(2) C(33) C(32) -4.2(2)
C(33) N(2) C(34) C(35) -156.4(2)
C(33) N(2) C(34) C(39) 22.1(3)
C(40) N(2) C(34) C(35) 9.2(3)
C(40) N(2) C(34) C(39) -172.2(2)
C(60) N(3) C(59) C(54) -25.0(2)
C(60) N(3) C(59) C(58) 153.4(2)
C(66) N(3) C(59) C(54) 171.8(2)
C(66) N(3) C(59) C(58) -9.8(3)
C(59) N(3) C(60) C(61) -157.9(2)
C(59) N(3) C(60) C(65) 21.6(2)
C(66) N(3) C(60) C(61) 5.0(3)
C(66) N(3) C(60) C(65) -175.5(2)
C(74) N(4) C(73) C(68) -21.7(3)
C(74) N(4) C(73) C(72) 158.6(2)
C(80) N(4) C(73) C(68) 173.2(2)
C(80) N(4) C(73) C(72) -6.5(3)
C(73) N(4) C(74) C(75) -154.5(2)
C(73) N(4) C(74) C(79) 24.6(3)
C(80) N(4) C(74) C(75) 10.7(3)
C(80) N(4) C(74) C(79) -170.1(2)
C(100) N(5) C(99) C(94) -29.8(2)
C(100) N(5) C(99) C(98) 147.7(2)
C(106) N(5) C(99) C(94) 167.3(1)
C(106) N(5) C(99) C(98) -15.2(2)
C(99) N(5) C(100) C(101) -148.9(2)
C(99) N(5) C(100) C(105) 29.7(2)
C(106) N(5) C(100) C(101) 13.8(2)
C(106) N(5) C(100) C(105) -167.6(1)
C(114) N(6) C(113) C(108) -23.2(2)
C(114) N(6) C(113) C(112) 155.6(2)
C(120) N(6) C(113) C(108) 174.3(1)
C(120) N(6) C(113) C(112) -6.9(2)
C(113) N(6) C(114) C(115) -152.7(2)
C(113) N(6) C(114) C(119) 26.8(2)
C(120) N(6) C(114) C(115) 9.6(2)
C(120) N(6) C(114) C(119) -170.9(2)
C(140) N(7) C(139) C(134) 27.2(2)
C(140) N(7) C(139) C(138) -151.6(2)
C(146) N(7) C(139) C(134) -167.9(1)
C(146) N(7) C(139) C(138) 13.3(2)
C(139) N(7) C(140) C(141) 151.1(2)
C(139) N(7) C(140) C(145) -27.2(2)
C(146) N(7) C(140) C(141) -14.1(2)
C(146) N(7) C(140) C(145) 167.6(1)
C(154) N(8) C(153) C(148) 23.3(2)
C(154) N(8) C(153) C(152) -157.1(2)
C(160) N(8) C(153) C(148) -170.1(2)
C(160) N(8) C(153) C(152) 9.5(2)
C(153) N(8) C(154) C(155) 159.4(2)
C(153) N(8) C(154) C(159) -19.8(2)
C(160) N(8) C(154) C(155) -7.3(2)
C(160) N(8) C(154) C(159) 173.5(1)
C(10) C(1) C(2) C(3) 0.6(3)
C(13) C(1) C(2) C(3) 179.1(2)
C(2) C(1) C(10) C(5) -0.8(3)
C(2) C(1) C(10) C(9) 174.9(2)
C(13) C(1) C(10) C(5) -179.6(2)
C(13) C(1) C(10) C(9) -3.9(2)
C(2) C(1) C(13) C(14) -55.6(2)
C(2) C(1) C(13) C(25) 68.4(2)
C(2) C(1) C(13) C(27) -174.3(2)
C(10) C(1) C(13) C(14) 122.9(2)
C(10) C(1) C(13) C(25) -113.1(2)
C(10) C(1) C(13) C(27) 4.3(2)
C(1) C(2) C(3) C(4) 0.2(3)
C(2) C(3) C(4) C(5) -0.8(3)
C(2) C(3) C(4) C(11) -178.7(2)
C(3) C(4) C(5) C(6) -173.7(2)
C(3) C(4) C(5) C(10) 0.6(3)
C(11) C(4) C(5) C(6) 4.8(2)
C(11) C(4) C(5) C(10) 179.1(2)
C(3) C(4) C(11) C(12) 172.4(2)
C(5) C(4) C(11) C(12) -5.6(2)
C(4) C(5) C(6) C(7) 174.3(2)
C(4) C(5) C(6) C(12) -1.7(2)
C(10) C(5) C(6) C(7) 0.1(2)
C(10) C(5) C(6) C(12) -175.9(2)
C(4) C(5) C(10) C(1) 0.2(3)
C(4) C(5) C(10) C(9) -175.2(2)
C(6) C(5) C(10) C(1) 174.1(2)
C(6) C(5) C(10) C(9) -1.3(3)
C(5) C(6) C(7) C(8) 0.8(3)
C(12) C(6) C(7) C(8) 175.3(2)
C(5) C(6) C(12) C(11) -2.1(2)
C(7) C(6) C(12) C(11) -177.0(2)
C(6) C(7) C(8) C(9) -0.4(3)
C(7) C(8) C(9) C(10) -0.8(3)
C(7) C(8) C(9) C(27) -174.9(2)
C(8) C(9) C(10) C(1) -174.0(2)
C(8) C(9) C(10) C(5) 1.6(3)
C(27) C(9) C(10) C(1) 1.3(2)
C(27) C(9) C(10) C(5) 177.0(2)
C(8) C(9) C(27) C(13) 175.9(2)
C(8) C(9) C(27) C(28) -66.2(2)
C(8) C(9) C(27) C(39) 56.7(3)
C(10) C(9) C(27) C(13) 1.5(2)
C(10) C(9) C(27) C(28) 119.3(2)
C(10) C(9) C(27) C(39) -117.8(2)
C(4) C(11) C(12) C(6) 4.7(2)
C(1) C(13) C(14) C(15) -22.1(2)
C(1) C(13) C(14) C(19) 161.2(2)
C(25) C(13) C(14) C(15) -147.7(2)
C(25) C(13) C(14) C(19) 35.5(2)
C(27) C(13) C(14) C(15) 91.5(2)
C(27) C(13) C(14) C(19) -85.2(2)
C(1) C(13) C(25) C(20) -165.0(2)
C(1) C(13) C(25) C(24) 19.7(3)
C(14) C(13) C(25) C(20) -38.8(2)
C(14) C(13) C(25) C(24) 146.0(2)
C(27) C(13) C(25) C(20) 82.4(2)
C(27) C(13) C(25) C(24) -92.9(2)
C(1) C(13) C(27) C(9) -3.4(2)
C(1) C(13) C(27) C(28) -122.8(1)
C(1) C(13) C(27) C(39) 114.4(1)
C(14) C(13) C(27) C(9) -124.0(1)
C(14) C(13) C(27) C(28) 116.6(1)
C(14) C(13) C(27) C(39) -6.2(2)
C(25) C(13) C(27) C(9) 115.7(1)
C(25) C(13) C(27) C(28) -3.7(2)
C(25) C(13) C(27) C(39) -126.5(1)
C(13) C(14) C(15) C(16) -176.1(2)
C(19) C(14) C(15) C(16) 0.6(3)
C(13) C(14) C(19) N(1) -4.0(3)
C(13) C(14) C(19) C(18) 176.7(2)
C(15) C(14) C(19) N(1) 179.1(2)
C(15) C(14) C(19) C(18) -0.1(2)
C(14) C(15) C(16) C(17) -0.5(3)
C(15) C(16) C(17) C(18) -0.1(2)
C(16) C(17) C(18) C(19) 0.5(3)
C(17) C(18) C(19) N(1) -179.7(2)
C(17) C(18) C(19) C(14) -0.4(3)
N(1) C(20) C(21) C(22) 176.8(2)
C(25) C(20) C(21) C(22) -2.7(3)
N(1) C(20) C(25) C(13) 10.2(3)
N(1) C(20) C(25) C(24) -174.3(2)
C(21) C(20) C(25) C(13) -170.3(2)
C(21) C(20) C(25) C(24) 5.2(3)
C(20) C(21) C(22) C(23) -1.7(3)
C(21) C(22) C(23) C(24) 3.5(3)
C(22) C(23) C(24) C(25) -0.9(3)
C(23) C(24) C(25) C(13) 171.8(2)
C(23) C(24) C(25) C(20) -3.4(3)
C(9) C(27) C(28) C(29) -36.3(2)
C(9) C(27) C(28) C(33) 150.2(1)
C(13) C(27) C(28) C(29) 75.8(2)
C(13) C(27) C(28) C(33) -97.7(2)
C(39) C(27) C(28) C(29) -159.7(1)
C(39) C(27) C(28) C(33) 26.8(2)
C(9) C(27) C(39) C(34) -146.7(2)
C(9) C(27) C(39) C(38) 33.2(2)
C(13) C(27) C(39) C(34) 101.3(2)
C(13) C(27) C(39) C(38) -78.8(2)
C(28) C(27) C(39) C(34) -22.0(2)
C(28) C(27) C(39) C(38) 157.9(1)
C(27) C(28) C(29) C(30) -171.1(2)
C(33) C(28) C(29) C(30) 2.5(3)
C(27) C(28) C(33) N(2) -9.0(2)
C(27) C(28) C(33) C(32) 172.4(1)
C(29) C(28) C(33) N(2) 177.3(1)
C(29) C(28) C(33) C(32) -1.2(2)
C(28) C(29) C(30) C(31) -1.6(3)
C(29) C(30) C(31) C(32) -0.8(3)
C(30) C(31) C(32) C(33) 2.1(3)
C(31) C(32) C(33) N(2) -179.6(2)
C(31) C(32) C(33) C(28) -1.1(2)
N(2) C(34) C(35) C(36) 180.0(1)
C(39) C(34) C(35) C(36) 1.4(3)
N(2) C(34) C(39) C(27) -0.7(3)
N(2) C(34) C(39) C(38) 179.4(2)
C(35) C(34) C(39) C(27) 177.8(2)
C(35) C(34) C(39) C(38) -2.1(3)
C(34) C(35) C(36) C(37) 0.3(3)
C(35) C(36) C(37) C(38) -1.2(3)
C(36) C(37) C(38) C(39) 0.5(3)
C(37) C(38) C(39) C(27) -178.7(2)
C(37) C(38) C(39) C(34) 1.2(3)
C(50) C(41) C(42) C(43) 1.1(3)
C(53) C(41) C(42) C(43) 176.3(2)
C(42) C(41) C(50) C(45) -1.1(3)
C(42) C(41) C(50) C(49) 178.3(2)
C(53) C(41) C(50) C(45) -177.4(2)
C(53) C(41) C(50) C(49) 2.0(2)
C(42) C(41) C(53) C(54) -65.3(2)
C(42) C(41) C(53) C(65) 58.8(3)
C(42) C(41) C(53) C(67) 177.5(2)
C(50) C(41) C(53) C(54) 110.1(2)
C(50) C(41) C(53) C(65) -125.7(2)
C(50) C(41) C(53) C(67) -7.1(2)
C(41) C(42) C(43) C(44) -0.3(3)
C(42) C(43) C(44) C(45) -0.7(3)
C(42) C(43) C(44) C(51) 179.3(2)
C(43) C(44) C(45) C(46) -178.1(2)
C(43) C(44) C(45) C(50) 0.7(3)
C(51) C(44) C(45) C(46) 1.9(2)
C(51) C(44) C(45) C(50) -179.3(2)
C(43) C(44) C(51) C(52) 178.8(2)
C(45) C(44) C(51) C(52) -1.2(2)
C(44) C(45) C(46) C(47) 178.0(2)
C(44) C(45) C(46) C(52) -1.8(2)
C(50) C(45) C(46) C(47) -0.8(3)
C(50) C(45) C(46) C(52) 179.4(2)
C(44) C(45) C(50) C(41) 0.2(3)
C(44) C(45) C(50) C(49) -179.2(2)
C(46) C(45) C(50) C(41) 178.9(2)
C(46) C(45) C(50) C(49) -0.4(3)
C(45) C(46) C(47) C(48) 1.1(3)
C(52) C(46) C(47) C(48) -179.2(2)
C(45) C(46) C(52) C(51) 0.8(2)
C(47) C(46) C(52) C(51) -178.9(2)
C(46) C(47) C(48) C(49) -0.3(3)
C(47) C(48) C(49) C(50) -0.9(3)
C(47) C(48) C(49) C(67) 174.8(2)
C(48) C(49) C(50) C(41) -178.1(2)
C(48) C(49) C(50) C(45) 1.3(3)
C(67) C(49) C(50) C(41) 5.2(2)
C(67) C(49) C(50) C(45) -175.4(2)
C(48) C(49) C(67) C(53) 175.2(2)
C(48) C(49) C(67) C(68) -69.6(2)
C(48) C(49) C(67) C(79) 54.0(3)
C(50) C(49) C(67) C(53) -8.8(2)
C(50) C(49) C(67) C(68) 106.4(2)
C(50) C(49) C(67) C(79) -130.0(2)
C(44) C(51) C(52) C(46) 0.2(2)
C(41) C(53) C(54) C(55) -25.7(2)
C(41) C(53) C(54) C(59) 157.7(2)
C(65) C(53) C(54) C(55) -152.4(2)
C(65) C(53) C(54) C(59) 31.0(2)
C(67) C(53) C(54) C(55) 85.9(2)
C(67) C(53) C(54) C(59) -90.8(2)
C(41) C(53) C(65) C(60) -159.5(2)
C(41) C(53) C(65) C(64) 26.1(3)
C(54) C(53) C(65) C(60) -34.4(2)
C(54) C(53) C(65) C(64) 151.1(2)
C(67) C(53) C(65) C(60) 87.2(2)
C(67) C(53) C(65) C(64) -87.2(2)
C(41) C(53) C(67) C(49) 9.4(2)
C(41) C(53) C(67) C(68) -106.7(1)
C(41) C(53) C(67) C(79) 130.6(1)
C(54) C(53) C(67) C(49) -108.3(1)
C(54) C(53) C(67) C(68) 135.6(1)
C(54) C(53) C(67) C(79) 12.9(2)
C(65) C(53) C(67) C(49) 130.6(1)
C(65) C(53) C(67) C(68) 14.5(2)
C(65) C(53) C(67) C(79) -108.2(2)
C(53) C(54) C(55) C(56) -176.6(2)
C(59) C(54) C(55) C(56) 0.1(2)
C(53) C(54) C(59) N(3) -3.4(3)
C(53) C(54) C(59) C(58) 178.2(2)
C(55) C(54) C(59) N(3) 179.9(2)
C(55) C(54) C(59) C(58) 1.5(3)
C(54) C(55) C(56) C(57) -1.4(3)
C(55) C(56) C(57) C(58) 1.1(3)
C(56) C(57) C(58) C(59) 0.5(3)
C(57) C(58) C(59) N(3) 179.8(2)
C(57) C(58) C(59) C(54) -1.8(3)
N(3) C(60) C(61) C(62) 178.1(2)
C(65) C(60) C(61) C(62) -1.4(3)
N(3) C(60) C(65) C(53) 10.0(3)
N(3) C(60) C(65) C(64) -175.4(2)
C(61) C(60) C(65) C(53) -170.5(2)
C(61) C(60) C(65) C(64) 4.1(3)
C(60) C(61) C(62) C(63) -2.3(3)
C(61) C(62) C(63) C(64) 3.1(3)
C(62) C(63) C(64) C(65) -0.3(3)
C(63) C(64) C(65) C(53) 171.2(2)
C(63) C(64) C(65) C(60) -3.3(3)
C(49) C(67) C(68) C(69) -29.9(2)
C(49) C(67) C(68) C(73) 156.8(2)
C(53) C(67) C(68) C(69) 80.8(2)
C(53) C(67) C(68) C(73) -92.5(2)
C(79) C(67) C(68) C(69) -155.0(1)
C(79) C(67) C(68) C(73) 31.7(2)
C(49) C(67) C(79) C(74) -152.1(2)
C(49) C(67) C(79) C(78) 29.0(2)
C(53) C(67) C(79) C(74) 93.2(2)
C(53) C(67) C(79) C(78) -85.7(2)
C(68) C(67) C(79) C(74) -28.6(2)
C(68) C(67) C(79) C(78) 152.5(2)
C(67) C(68) C(69) C(70) -170.7(2)
C(73) C(68) C(69) C(70) 2.6(3)
C(67) C(68) C(73) N(4) -8.2(2)
C(67) C(68) C(73) C(72) 171.6(2)
C(69) C(68) C(73) N(4) 178.4(2)
C(69) C(68) C(73) C(72) -1.8(3)
C(68) C(69) C(70) C(71) -1.1(3)
C(69) C(70) C(71) C(72) -1.2(3)
C(70) C(71) C(72) C(73) 1.9(3)
C(71) C(72) C(73) N(4) 179.4(2)
C(71) C(72) C(73) C(68) -0.3(3)
N(4) C(74) C(75) C(76) 178.9(2)
C(79) C(74) C(75) C(76) -0.2(3)
N(4) C(74) C(79) C(67) 2.4(2)
N(4) C(74) C(79) C(78) -178.6(2)
C(75) C(74) C(79) C(67) -178.4(2)
C(75) C(74) C(79) C(78) 0.5(3)
C(74) C(75) C(76) C(77) -0.2(3)
C(75) C(76) C(77) C(78) 0.3(3)
C(76) C(77) C(78) C(79) -0.0(3)
C(77) C(78) C(79) C(67) 178.5(2)
C(77) C(78) C(79) C(74) -0.4(3)
C(90) C(81) C(82) C(83) -1.4(2)
C(93) C(81) C(82) C(83) 164.1(2)
C(82) C(81) C(90) C(85) 3.1(2)
C(82) C(81) C(90) C(89) 178.5(2)
C(93) C(81) C(90) C(85) -165.9(1)
C(93) C(81) C(90) C(89) 9.4(2)
C(82) C(81) C(93) C(94) -70.6(2)
C(82) C(81) C(93) C(105) 51.7(3)
C(82) C(81) C(93) C(107) 172.6(2)
C(90) C(81) C(93) C(94) 95.9(2)
C(90) C(81) C(93) C(105) -141.8(2)
C(90) C(81) C(93) C(107) -20.9(2)
C(81) C(82) C(83) C(84) -1.3(3)
C(82) C(83) C(84) C(85) 2.2(2)
C(82) C(83) C(84) C(91) -174.2(2)
C(83) C(84) C(85) C(86) -175.9(2)
C(83) C(84) C(85) C(90) -0.6(2)
C(91) C(84) C(85) C(86) 1.4(2)
C(91) C(84) C(85) C(90) 176.8(2)
C(83) C(84) C(91) C(92) 175.0(2)
C(85) C(84) C(91) C(92) -1.7(2)
C(84) C(85) C(86) C(87) 177.0(2)
C(84) C(85) C(86) C(92) -0.5(2)
C(90) C(85) C(86) C(87) 1.6(3)
C(90) C(85) C(86) C(92) -175.9(2)
C(84) C(85) C(90) C(81) -2.2(3)
C(84) C(85) C(90) C(89) -177.3(2)
C(86) C(85) C(90) C(81) 172.9(2)
C(86) C(85) C(90) C(89) -2.2(3)
C(85) C(86) C(87) C(88) 0.5(3)
C(92) C(86) C(87) C(88) 177.0(2)
C(85) C(86) C(92) C(91) -0.7(2)
C(87) C(86) C(92) C(91) -177.4(2)
C(86) C(87) C(88) C(89) -2.1(3)
C(87) C(88) C(89) C(90) 1.6(2)
C(87) C(88) C(89) C(107) 176.7(2)
C(88) C(89) C(90) C(81) -174.9(2)
C(88) C(89) C(90) C(85) 0.5(2)
C(107) C(89) C(90) C(81) 8.7(2)
C(107) C(89) C(90) C(85) -175.9(1)
C(88) C(89) C(107) C(93) 164.1(2)
C(88) C(89) C(107) C(108) -82.7(2)
C(88) C(89) C(107) C(119) 41.3(3)
C(90) C(89) C(107) C(93) -20.4(2)
C(90) C(89) C(107) C(108) 92.8(2)
C(90) C(89) C(107) C(119) -143.2(1)
C(84) C(91) C(92) C(86) 1.4(2)
C(81) C(93) C(94) C(95) -19.2(2)
C(81) C(93) C(94) C(99) 159.6(1)
C(105) C(93) C(94) C(95) -145.3(2)
C(105) C(93) C(94) C(99) 33.4(2)
C(107) C(93) C(94) C(95) 91.0(2)
C(107) C(93) C(94) C(99) -90.3(2)
C(81) C(93) C(105) C(100) -155.3(1)
C(81) C(93) C(105) C(104) 27.6(2)
C(94) C(93) C(105) C(100) -33.6(2)
C(94) C(93) C(105) C(104) 149.4(1)
C(107) C(93) C(105) C(100) 89.7(2)
C(107) C(93) C(105) C(104) -87.3(2)
C(81) C(93) C(107) C(89) 24.7(1)
C(81) C(93) C(107) C(108) -91.0(2)
C(81) C(93) C(107) C(119) 148.7(2)
C(94) C(93) C(107) C(89) -89.8(2)
C(94) C(93) C(107) C(108) 154.6(1)
C(94) C(93) C(107) C(119) 34.3(2)
C(105) C(93) C(107) C(89) 148.1(1)
C(105) C(93) C(107) C(108) 32.5(2)
C(105) C(93) C(107) C(119) -87.8(2)
C(93) C(94) C(95) C(96) 179.8(2)
C(99) C(94) C(95) C(96) 1.1(2)
C(93) C(94) C(99) N(5) -3.5(2)
C(93) C(94) C(99) C(98) 179.0(1)
C(95) C(94) C(99) N(5) 175.3(1)
C(95) C(94) C(99) C(98) -2.2(2)
C(94) C(95) C(96) C(97) 0.7(3)
C(95) C(96) C(97) C(98) -1.3(3)
C(96) C(97) C(98) C(99) 0.2(3)
C(97) C(98) C(99) N(5) -175.8(2)
C(97) C(98) C(99) C(94) 1.7(2)
N(5) C(100) C(101) C(102) 178.5(2)
C(105) C(100) C(101) C(102) -0.1(2)
N(5) C(100) C(105) C(93) 4.1(2)
N(5) C(100) C(105) C(104) -178.8(1)
C(101) C(100) C(105) C(93) -177.3(1)
C(101) C(100) C(105) C(104) -0.2(2)
C(100) C(101) C(102) C(103) 0.7(3)
C(101) C(102) C(103) C(104) -1.1(3)
C(102) C(103) C(104) C(105) 0.8(2)
C(103) C(104) C(105) C(93) 176.9(1)
C(103) C(104) C(105) C(100) -0.2(2)
C(89) C(107) C(108) C(109) -22.2(2)
C(89) C(107) C(108) C(113) 162.5(1)
C(93) C(107) C(108) C(109) 86.9(2)
C(93) C(107) C(108) C(113) -88.4(2)
C(119) C(107) C(108) C(109) -149.9(2)
C(119) C(107) C(108) C(113) 34.8(2)
C(89) C(107) C(119) C(114) -156.4(2)
C(89) C(107) C(119) C(118) 24.6(2)
C(93) C(107) C(119) C(114) 87.9(2)
C(93) C(107) C(119) C(118) -91.1(2)
C(108) C(107) C(119) C(114) -31.6(2)
C(108) C(107) C(119) C(118) 149.5(2)
C(107) C(108) C(109) C(110) -172.5(2)
C(113) C(108) C(109) C(110) 2.8(3)
C(107) C(108) C(113) N(6) -9.4(2)
C(107) C(108) C(113) C(112) 171.8(2)
C(109) C(108) C(113) N(6) 175.1(2)
C(109) C(108) C(113) C(112) -3.7(2)
C(108) C(109) C(110) C(111) 0.1(2)
C(109) C(110) C(111) C(112) -2.0(3)
C(110) C(111) C(112) C(113) 1.0(3)
C(111) C(112) C(113) N(6) -176.9(2)
C(111) C(112) C(113) C(108) 1.9(3)
N(6) C(114) C(115) C(116) 179.2(2)
C(119) C(114) C(115) C(116) -0.3(3)
N(6) C(114) C(119) C(107) 2.8(3)
N(6) C(114) C(119) C(118) -178.3(2)
C(115) C(114) C(119) C(107) -177.7(2)
C(115) C(114) C(119) C(118) 1.2(3)
C(114) C(115) C(116) C(117) -0.8(3)
C(115) C(116) C(117) C(118) 0.9(3)
C(116) C(117) C(118) C(119) 0.1(2)
C(117) C(118) C(119) C(107) 177.8(2)
C(117) C(118) C(119) C(114) -1.2(3)
C(130) C(121) C(122) C(123) -1.3(2)
C(133) C(121) C(122) C(123) 164.5(2)
C(122) C(121) C(130) C(125) 3.1(2)
C(122) C(121) C(130) C(129) 178.5(2)
C(133) C(121) C(130) C(125) -166.1(2)
C(133) C(121) C(130) C(129) 9.2(2)
C(122) C(121) C(133) C(134) 52.6(3)
C(122) C(121) C(133) C(145) -70.2(2)
C(122) C(121) C(133) C(147) 173.3(2)
C(130) C(121) C(133) C(134) -140.6(2)
C(130) C(121) C(133) C(145) 96.5(2)
C(130) C(121) C(133) C(147) -19.9(2)
C(121) C(122) C(123) C(124) -1.6(3)
C(122) C(123) C(124) C(125) 2.5(2)
C(122) C(123) C(124) C(131) -174.6(2)
C(123) C(124) C(125) C(126) -176.1(2)
C(123) C(124) C(125) C(130) -0.7(3)
C(131) C(124) C(125) C(126) 1.8(2)
C(131) C(124) C(125) C(130) 177.2(2)
C(123) C(124) C(131) C(132) 175.3(2)
C(125) C(124) C(131) C(132) -2.1(2)
C(124) C(125) C(126) C(127) 177.4(2)
C(124) C(125) C(126) C(132) -0.7(2)
C(130) C(125) C(126) C(127) 2.0(3)
C(130) C(125) C(126) C(132) -176.1(2)
C(124) C(125) C(130) C(121) -2.2(3)
C(124) C(125) C(130) C(129) -177.3(2)
C(126) C(125) C(130) C(121) 172.9(2)
C(126) C(125) C(130) C(129) -2.1(3)
C(125) C(126) C(127) C(128) -0.1(2)
C(132) C(126) C(127) C(128) 177.3(2)
C(125) C(126) C(132) C(131) -0.7(2)
C(127) C(126) C(132) C(131) -178.2(2)
C(126) C(127) C(128) C(129) -1.7(3)
C(127) C(128) C(129) C(130) 1.6(2)
C(127) C(128) C(129) C(147) 177.5(2)
C(128) C(129) C(130) C(121) -175.0(2)
C(128) C(129) C(130) C(125) 0.3(2)
C(147) C(129) C(130) C(121) 8.1(2)
C(147) C(129) C(130) C(125) -176.7(2)
C(128) C(129) C(147) C(133) 164.6(2)
C(128) C(129) C(147) C(148) 43.1(3)
C(128) C(129) C(147) C(159) -81.7(2)
C(130) C(129) C(147) C(133) -19.2(2)
C(130) C(129) C(147) C(148) -140.7(1)
C(130) C(129) C(147) C(159) 94.5(2)
C(124) C(131) C(132) C(126) 1.7(2)
C(121) C(133) C(134) C(135) 27.3(2)
C(121) C(133) C(134) C(139) -156.5(1)
C(145) C(133) C(134) C(135) 149.6(1)
C(145) C(133) C(134) C(139) -34.1(2)
C(147) C(133) C(134) C(135) -88.0(2)
C(147) C(133) C(134) C(139) 88.2(2)
C(121) C(133) C(145) C(140) 160.7(1)
C(121) C(133) C(145) C(144) -20.6(2)
C(134) C(133) C(145) C(140) 34.0(2)
C(134) C(133) C(145) C(144) -147.3(1)
C(147) C(133) C(145) C(140) -88.8(2)
C(147) C(133) C(145) C(144) 89.9(2)
C(121) C(133) C(147) C(129) 23.4(1)
C(121) C(133) C(147) C(148) 146.7(2)
C(121) C(133) C(147) C(159) -92.3(2)
C(134) C(133) C(147) C(129) 147.1(1)
C(134) C(133) C(147) C(148) -89.6(2)
C(134) C(133) C(147) C(159) 31.5(2)
C(145) C(133) C(147) C(129) -91.3(2)
C(145) C(133) C(147) C(148) 32.0(2)
C(145) C(133) C(147) C(159) 153.0(2)
C(133) C(134) C(135) C(136) 175.4(2)
C(139) C(134) C(135) C(136) -0.8(2)
C(133) C(134) C(139) N(7) 5.8(2)
C(133) C(134) C(139) C(138) -175.4(1)
C(135) C(134) C(139) N(7) -177.9(1)
C(135) C(134) C(139) C(138) 0.9(2)
C(134) C(135) C(136) C(137) 0.5(3)
C(135) C(136) C(137) C(138) -0.3(3)
C(136) C(137) C(138) C(139) 0.5(3)
C(137) C(138) C(139) N(7) 178.0(2)
C(137) C(138) C(139) C(134) -0.8(2)
N(7) C(140) C(141) C(142) -177.0(2)
C(145) C(140) C(141) C(142) 1.4(3)
N(7) C(140) C(145) C(133) -5.2(2)
N(7) C(140) C(145) C(144) 176.0(2)
C(141) C(140) C(145) C(133) 176.4(1)
C(141) C(140) C(145) C(144) -2.4(2)
C(140) C(141) C(142) C(143) 0.7(3)
C(141) C(142) C(143) C(144) -1.7(3)
C(142) C(143) C(144) C(145) 0.6(3)
C(143) C(144) C(145) C(133) -177.3(1)
C(143) C(144) C(145) C(140) 1.5(2)
C(129) C(147) C(148) C(149) 27.3(2)
C(129) C(147) C(148) C(153) -155.7(2)
C(133) C(147) C(148) C(149) -87.5(2)
C(133) C(147) C(148) C(153) 89.5(2)
C(159) C(147) C(148) C(149) 152.5(2)
C(159) C(147) C(148) C(153) -30.5(2)
C(129) C(147) C(159) C(154) 161.6(1)
C(129) C(147) C(159) C(158) -25.4(2)
C(133) C(147) C(159) C(154) -89.3(2)
C(133) C(147) C(159) C(158) 83.7(2)
C(148) C(147) C(159) C(154) 33.7(2)
C(148) C(147) C(159) C(158) -153.3(2)
C(147) C(148) C(149) C(150) 175.5(2)
C(153) C(148) C(149) C(150) -1.5(3)
C(147) C(148) C(153) N(8) 3.8(3)
C(147) C(148) C(153) C(152) -175.8(2)
C(149) C(148) C(153) N(8) -179.1(2)
C(149) C(148) C(153) C(152) 1.3(3)
C(148) C(149) C(150) C(151) 0.0(2)
C(149) C(150) C(151) C(152) 1.8(3)
C(150) C(151) C(152) C(153) -2.0(3)
C(151) C(152) C(153) N(8) -179.1(2)
C(151) C(152) C(153) C(148) 0.5(3)
N(8) C(154) C(155) C(156) -178.5(2)
C(159) C(154) C(155) C(156) 0.8(3)
N(8) C(154) C(159) C(147) -10.5(2)
N(8) C(154) C(159) C(158) 176.2(2)
C(155) C(154) C(159) C(147) 170.3(2)
C(155) C(154) C(159) C(158) -3.0(2)
C(154) C(155) C(156) C(157) 1.9(3)
C(155) C(156) C(157) C(158) -2.2(3)
C(156) C(157) C(158) C(159) -0.2(3)
C(157) C(158) C(159) C(147) -170.3(2)
C(157) C(158) C(159) C(154) 2.8(3)
loop_
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1 PubChem 139145728
