#------------------------------------------------------------------------------
#$Date: 2025-08-21 03:19:08 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301842 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/50/51/4505117.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_4505117
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                111.270(2)
_cell_angle_beta                 93.800(2)
_cell_angle_gamma                102.006(2)
_cell_formula_units_Z            8
_cell_length_a                   17.719(2)
_cell_length_b                   18.116(2)
_cell_length_c                   18.852(3)
_cell_measurement_reflns_used    16374
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      3.0
_cell_volume                     5448.8(12)
_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    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9655
_diffrn_measured_fraction_theta_max 0.9655
_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  0.034
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49868
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2272.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.53
_refine_ls_extinction_coef       156.1(21)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.576
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1634
_refine_ls_number_reflns         23197
_refine_ls_R_factor_gt           0.0590
_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         0.1250
_reflns_number_gt                14221
_reflns_number_total             23197
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            cg050064rsi20050402_024010.cif
_cod_data_source_block           '__-150pyracene'
_cod_original_cell_volume        5449.0(12)
_cod_original_formula_sum        'C40 H30 N2 '
_cod_database_code               4505117
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 0.47878(10) 0.38302(11) 0.05776(9) 0.0243(5) Uani 1.00 1 d .
N(2) N 0.46410(11) 0.19172(11) 0.00856(10) 0.0277(5) Uani 1.00 1 d .
N(3) N 0.48489(10) 0.38986(11) 0.55367(9) 0.0245(5) Uani 1.00 1 d .
N(4) N 0.43192(11) 0.20505(11) 0.54004(10) 0.0299(6) Uani 1.00 1 d .
N(5) N 0.87550(10) 0.09109(10) 0.05575(10) 0.0219(5) Uani 1.00 1 d .
N(6) N 0.69820(10) 0.11428(10) 0.08281(10) 0.0218(5) Uani 1.00 1 d .
N(7) N 0.87511(10) 0.09758(11) 0.56795(10) 0.0244(5) Uani 1.00 1 d .
N(8) N 0.69324(10) 0.11204(10) 0.57587(10) 0.0221(5) Uani 1.00 1 d .
C(1) C 0.27893(12) 0.31890(13) -0.11229(11) 0.0193(6) Uani 1.00 1 d .
C(2) C 0.25616(12) 0.3786(1) -0.13115(12) 0.0241(6) Uani 1.00 1 d .
C(3) C 0.18821(13) 0.3583(1) -0.18696(12) 0.0258(6) Uani 1.00 1 d .
C(4) C 0.14382(12) 0.2791(1) -0.22254(11) 0.0232(6) Uani 1.00 1 d .
C(5) C 0.16846(12) 0.21935(13) -0.20317(11) 0.0203(6) Uani 1.00 1 d .
C(6) C 0.12686(12) 0.13886(13) -0.24590(11) 0.0218(6) Uani 1.00 1 d .
C(7) C 0.15403(12) 0.07801(13) -0.23317(12) 0.0238(6) Uani 1.00 1 d .
C(8) C 0.22113(12) 0.09778(13) -0.17691(11) 0.0232(6) Uani 1.00 1 d .
C(9) C 0.26116(12) 0.17824(13) -0.13446(11) 0.0184(6) Uani 1.00 1 d .
C(10) C 0.23389(12) 0.23850(13) -0.14949(11) 0.0188(6) Uani 1.00 1 d .
C(11) C 0.07157(13) 0.2349(1) -0.28373(12) 0.0290(7) Uani 1.00 1 d .
C(12) C 0.06321(13) 0.1415(1) -0.30222(12) 0.0288(6) Uani 1.00 1 d .
C(13) C 0.34729(12) 0.32103(12) -0.05722(11) 0.0187(6) Uani 1.00 1 d .
C(14) C 0.42552(12) 0.35790(12) -0.07250(11) 0.0191(6) Uani 1.00 1 d .
C(15) C 0.43708(13) 0.36183(13) -0.14342(12) 0.0233(6) Uani 1.00 1 d .
C(16) C 0.51037(13) 0.39170(13) -0.15747(13) 0.0266(6) Uani 1.00 1 d .
C(17) C 0.57378(13) 0.41901(13) -0.09966(12) 0.0261(6) Uani 1.00 1 d .
C(18) C 0.56422(12) 0.41669(13) -0.02837(12) 0.0249(6) Uani 1.00 1 d .
C(19) C 0.49019(12) 0.38596(12) -0.01407(11) 0.0211(6) Uani 1.00 1 d .
C(20) C 0.40647(13) 0.38940(12) 0.08184(12) 0.0224(6) Uani 1.00 1 d .
C(21) C 0.3985(1) 0.41894(13) 0.16003(12) 0.0268(6) Uani 1.00 1 d .
C(22) C 0.3272(1) 0.42838(13) 0.18190(13) 0.0305(7) Uani 1.00 1 d .
C(23) C 0.2628(1) 0.4101(1) 0.12744(12) 0.0301(7) Uani 1.00 1 d .
C(24) C 0.26994(13) 0.37851(13) 0.05014(12) 0.0253(6) Uani 1.00 1 d .
C(25) C 0.34046(12) 0.36554(12) 0.02593(11) 0.0206(6) Uani 1.00 1 d .
C(26) C 0.5463(1) 0.3996(2) 0.11432(13) 0.0384(8) Uani 1.00 1 d .
C(27) C 0.33680(12) 0.21572(12) -0.07694(11) 0.0181(6) Uani 1.00 1 d .
C(28) C 0.32946(12) 0.19965(12) -0.00410(11) 0.0206(6) Uani 1.00 1 d .
C(29) C 0.25944(13) 0.19788(13) 0.02546(12) 0.0250(6) Uani 1.00 1 d .
C(30) C 0.2536(1) 0.1942(1) 0.09691(12) 0.0309(7) Uani 1.00 1 d .
C(31) C 0.3180(2) 0.1896(1) 0.13891(13) 0.0320(7) Uani 1.00 1 d .
C(32) C 0.3873(1) 0.18809(13) 0.11007(12) 0.0290(7) Uani 1.00 1 d .
C(33) C 0.39443(13) 0.19349(13) 0.03869(12) 0.0231(6) Uani 1.00 1 d .
C(34) C 0.46437(12) 0.17360(13) -0.06993(12) 0.0246(6) Uani 1.00 1 d .
C(35) C 0.52397(13) 0.1423(1) -0.10642(13) 0.0323(7) Uani 1.00 1 d .
C(36) C 0.5234(1) 0.1242(2) -0.1838(1) 0.0358(8) Uani 1.00 1 d .
C(37) C 0.4653(1) 0.1370(2) -0.22665(13) 0.0337(7) Uani 1.00 1 d .
C(38) C 0.40609(13) 0.16665(13) -0.19095(12) 0.0260(6) Uani 1.00 1 d .
C(39) C 0.40356(12) 0.18501(12) -0.11305(11) 0.0197(6) Uani 1.00 1 d .
C(40) C 0.5323(1) 0.1896(2) 0.05472(13) 0.0412(8) Uani 1.00 1 d .
C(41) C 0.27925(12) 0.32021(13) 0.38774(11) 0.0196(6) Uani 1.00 1 d .
C(42) C 0.25289(12) 0.38181(13) 0.37531(11) 0.0226(6) Uani 1.00 1 d .
C(43) C 0.18916(13) 0.36380(13) 0.31605(12) 0.0244(6) Uani 1.00 1 d .
C(44) C 0.15211(12) 0.2841(1) 0.26918(11) 0.0233(6) Uani 1.00 1 d .
C(45) C 0.17993(12) 0.22245(13) 0.28185(11) 0.0220(6) Uani 1.00 1 d .
C(46) C 0.14252(12) 0.14232(13) 0.23230(12) 0.0234(6) Uani 1.00 1 d .
C(47) C 0.17053(13) 0.0803(1) 0.24172(12) 0.0279(6) Uani 1.00 1 d .
C(48) C 0.23386(12) 0.09859(13) 0.30140(12) 0.0252(6) Uani 1.00 1 d .
C(49) C 0.26950(12) 0.17787(13) 0.35016(11) 0.0194(6) Uani 1.00 1 d .
C(50) C 0.24170(12) 0.24027(13) 0.33915(11) 0.0195(6) Uani 1.00 1 d .
C(51) C 0.08412(13) 0.2417(1) 0.20311(13) 0.0324(7) Uani 1.00 1 d .
C(52) C 0.07791(13) 0.1478(1) 0.17839(13) 0.0321(7) Uani 1.00 1 d .
C(53) C 0.34712(12) 0.32017(12) 0.44213(11) 0.0186(6) Uani 1.00 1 d .
C(54) C 0.42471(12) 0.35365(12) 0.42246(11) 0.0200(6) Uani 1.00 1 d .
C(55) C 0.43289(13) 0.35013(13) 0.34848(12) 0.0252(6) Uani 1.00 1 d .
C(56) C 0.50464(13) 0.3772(1) 0.32968(13) 0.0287(7) Uani 1.00 1 d .
C(57) C 0.56994(13) 0.4101(1) 0.38622(13) 0.0286(7) Uani 1.00 1 d .
C(58) C 0.56347(13) 0.41427(13) 0.45973(13) 0.0261(6) Uani 1.00 1 d .
C(59) C 0.49142(12) 0.38564(13) 0.47889(12) 0.0215(6) Uani 1.00 1 d .
C(60) C 0.41315(13) 0.39355(13) 0.58008(11) 0.0215(6) Uani 1.00 1 d .
C(61) C 0.4087(1) 0.42493(13) 0.65884(12) 0.0274(6) Uani 1.00 1 d .
C(62) C 0.3377(1) 0.4304(1) 0.68378(12) 0.0313(7) Uani 1.00 1 d .
C(63) C 0.2707(1) 0.4074(1) 0.63140(12) 0.0307(7) Uani 1.00 1 d .
C(64) C 0.27496(13) 0.37562(13) 0.55350(12) 0.0251(6) Uani 1.00 1 d .
C(65) C 0.34473(12) 0.36588(12) 0.52632(11) 0.0198(6) Uani 1.00 1 d .
C(66) C 0.55574(13) 0.4124(2) 0.60825(13) 0.0366(7) Uani 1.00 1 d .
C(67) C 0.33242(12) 0.21491(12) 0.42096(11) 0.0189(6) Uani 1.00 1 d .
C(68) C 0.30136(13) 0.19670(13) 0.48704(11) 0.0224(6) Uani 1.00 1 d .
C(69) C 0.2223(1) 0.18736(13) 0.49411(13) 0.0301(7) Uani 1.00 1 d .
C(70) C 0.1945(2) 0.1823(1) 0.5591(1) 0.0384(8) Uani 1.00 1 d .
C(71) C 0.2467(2) 0.1851(1) 0.6183(1) 0.0420(8) Uani 1.00 1 d .
C(72) C 0.3247(2) 0.1918(1) 0.61282(13) 0.0374(8) Uani 1.00 1 d .
C(73) C 0.3531(1) 0.19779(13) 0.54698(12) 0.0271(6) Uani 1.00 1 d .
C(74) C 0.45432(13) 0.18344(13) 0.46673(13) 0.0261(6) Uani 1.00 1 d .
C(75) C 0.5234(1) 0.1587(2) 0.4532(2) 0.0381(8) Uani 1.00 1 d .
C(76) C 0.5438(2) 0.1364(2) 0.3807(2) 0.0444(8) Uani 1.00 1 d .
C(77) C 0.4968(1) 0.1380(2) 0.3203(2) 0.0405(8) Uani 1.00 1 d .
C(78) C 0.42821(13) 0.1628(1) 0.33363(12) 0.0286(6) Uani 1.00 1 d .
C(79) C 0.40585(12) 0.18569(13) 0.40615(12) 0.0217(6) Uani 1.00 1 d .
C(80) C 0.4876(2) 0.2148(2) 0.6051(1) 0.0493(9) Uani 1.00 1 d .
C(81) C 0.91364(12) 0.34781(13) 0.11337(11) 0.0184(6) Uani 1.00 1 d .
C(82) C 0.98533(12) 0.39883(13) 0.15284(11) 0.0207(6) Uani 1.00 1 d .
C(83) C 1.01161(13) 0.47838(13) 0.15111(11) 0.0234(6) Uani 1.00 1 d .
C(84) C 0.96600(12) 0.50518(13) 0.10823(12) 0.0219(6) Uani 1.00 1 d .
C(85) C 0.89318(12) 0.45330(13) 0.06974(11) 0.0200(6) Uani 1.00 1 d .
C(86) C 0.85066(13) 0.48069(13) 0.02310(12) 0.0226(6) Uani 1.00 1 d .
C(87) C 0.78029(13) 0.42863(13) -0.01845(12) 0.0248(6) Uani 1.00 1 d .
C(88) C 0.75169(13) 0.35052(13) -0.01325(12) 0.0244(6) Uani 1.00 1 d .
C(89) C 0.79564(12) 0.32472(12) 0.03197(11) 0.0195(6) Uani 1.00 1 d .
C(90) C 0.86707(12) 0.37780(12) 0.07304(11) 0.0189(6) Uani 1.00 1 d .
C(91) C 0.97573(12) 0.57965(13) 0.08719(12) 0.0258(6) Uani 1.00 1 d .
C(92) C 0.90029(13) 0.56281(13) 0.02976(12) 0.0264(6) Uani 1.00 1 d .
C(93) C 0.87693(12) 0.25675(12) 0.08890(11) 0.0186(6) Uani 1.00 1 d .
C(94) C 0.91806(12) 0.20988(13) 0.02486(11) 0.0191(6) Uani 1.00 1 d .
C(95) C 0.96132(12) 0.24614(13) -0.01839(11) 0.0225(6) Uani 1.00 1 d .
C(96) C 0.99852(13) 0.2027(1) -0.07570(12) 0.0271(7) Uani 1.00 1 d .
C(97) C 0.99200(13) 0.1208(1) -0.09154(12) 0.0288(7) Uani 1.00 1 d .
C(98) C 0.94994(13) 0.0833(1) -0.04949(12) 0.0271(6) Uani 1.00 1 d .
C(99) C 0.91384(12) 0.12746(13) 0.00971(11) 0.0209(6) Uani 1.00 1 d .
C(100) C 0.87645(12) 0.14103(13) 0.13238(12) 0.0209(6) Uani 1.00 1 d .
C(101) C 0.87612(12) 0.1102(1) 0.19049(12) 0.0258(6) Uani 1.00 1 d .
C(102) C 0.87877(13) 0.1610(1) 0.26609(13) 0.0284(7) Uani 1.00 1 d .
C(103) C 0.88118(13) 0.2429(1) 0.28561(12) 0.0280(6) Uani 1.00 1 d .
C(104) C 0.88238(12) 0.27389(13) 0.22871(11) 0.0230(6) Uani 1.00 1 d .
C(105) C 0.87981(11) 0.22415(13) 0.15197(11) 0.0186(6) Uani 1.00 1 d .
C(106) C 0.85675(13) 0.00292(13) 0.03131(13) 0.0315(7) Uani 1.00 1 d .
C(107) C 0.78320(12) 0.25002(13) 0.05391(11) 0.0190(6) Uani 1.00 1 d .
C(108) C 0.73653(12) 0.26170(13) 0.12072(11) 0.0200(6) Uani 1.00 1 d .
C(109) C 0.73276(12) 0.33867(13) 0.17100(12) 0.0254(6) Uani 1.00 1 d .
C(110) C 0.69759(13) 0.3491(1) 0.23610(12) 0.0300(7) Uani 1.00 1 d .
C(111) C 0.66589(13) 0.2815(2) 0.25207(12) 0.0299(7) Uani 1.00 1 d .
C(112) C 0.66639(12) 0.2041(1) 0.20226(12) 0.0252(6) Uani 1.00 1 d .
C(113) C 0.70055(12) 0.19290(13) 0.13551(11) 0.0199(6) Uani 1.00 1 d .
C(114) C 0.70454(12) 0.10329(13) 0.00605(11) 0.0207(6) Uani 1.00 1 d .
C(115) C 0.67057(12) 0.02789(13) -0.05391(12) 0.0256(6) Uani 1.00 1 d .
C(116) C 0.67597(13) 0.0177(1) -0.12942(12) 0.0293(7) Uani 1.00 1 d .
C(117) C 0.71402(13) 0.0820(1) -0.14688(12) 0.0266(6) Uani 1.00 1 d .
C(118) C 0.74728(12) 0.15718(13) -0.08735(11) 0.0237(6) Uani 1.00 1 d .
C(119) C 0.74422(12) 0.16918(12) -0.01072(11) 0.0188(6) Uani 1.00 1 d .
C(120) C 0.66749(13) 0.04421(13) 0.10203(13) 0.0284(7) Uani 1.00 1 d .
C(121) C 0.90976(12) 0.35201(12) 0.61587(11) 0.0189(6) Uani 1.00 1 d .
C(122) C 0.97956(12) 0.40487(13) 0.65757(11) 0.0220(6) Uani 1.00 1 d .
C(123) C 1.00519(13) 0.48342(13) 0.65378(12) 0.0235(6) Uani 1.00 1 d .
C(124) C 0.96096(12) 0.50760(13) 0.60722(12) 0.0216(6) Uani 1.00 1 d .
C(125) C 0.88984(12) 0.45357(13) 0.56626(11) 0.0205(6) Uani 1.00 1 d .
C(126) C 0.84869(13) 0.47722(13) 0.51577(12) 0.0226(6) Uani 1.00 1 d .
C(127) C 0.78002(13) 0.42350(13) 0.47256(12) 0.0252(6) Uani 1.00 1 d .
C(128) C 0.75207(13) 0.34659(13) 0.47959(12) 0.0247(6) Uani 1.00 1 d .
C(129) C 0.79455(12) 0.32327(12) 0.52813(11) 0.0194(6) Uani 1.00 1 d .
C(130) C 0.86414(12) 0.37879(12) 0.57126(11) 0.0195(6) Uani 1.00 1 d .
C(131) C 0.97113(13) 0.58102(13) 0.58399(12) 0.0277(7) Uani 1.00 1 d .
C(132) C 0.89762(13) 0.55987(13) 0.52213(12) 0.0281(7) Uani 1.00 1 d .
C(133) C 0.87437(12) 0.26087(12) 0.59333(11) 0.0186(6) Uani 1.00 1 d .
C(134) C 0.87336(11) 0.23144(13) 0.65863(11) 0.0194(6) Uani 1.00 1 d .
C(135) C 0.87100(12) 0.2826(1) 0.73368(11) 0.0238(6) Uani 1.00 1 d .
C(136) C 0.86452(12) 0.2536(2) 0.79202(12) 0.0281(6) Uani 1.00 1 d .
C(137) C 0.86095(13) 0.1717(2) 0.77519(13) 0.0310(7) Uani 1.00 1 d .
C(138) C 0.86333(12) 0.1196(1) 0.70151(13) 0.0267(7) Uani 1.00 1 d .
C(139) C 0.87008(12) 0.14874(13) 0.64255(12) 0.0219(6) Uani 1.00 1 d .
C(140) C 0.91509(12) 0.13176(13) 0.52124(12) 0.0216(6) Uani 1.00 1 d .
C(141) C 0.95213(13) 0.0863(1) 0.46405(12) 0.0287(7) Uani 1.00 1 d .
C(142) C 0.99453(13) 0.1216(2) 0.42083(12) 0.0307(7) Uani 1.00 1 d .
C(143) C 1.00163(13) 0.2033(1) 0.43422(12) 0.0283(7) Uani 1.00 1 d .
C(144) C 0.96382(12) 0.24816(13) 0.49024(11) 0.0236(6) Uani 1.00 1 d .
C(145) C 0.91959(12) 0.21379(13) 0.53393(11) 0.0195(6) Uani 1.00 1 d .
C(146) C 0.8570(1) 0.00967(13) 0.54556(13) 0.0326(7) Uani 1.00 1 d .
C(147) C 0.78169(12) 0.24969(13) 0.55162(11) 0.0200(6) Uani 1.00 1 d .
C(148) C 0.74976(12) 0.16762(12) 0.48653(11) 0.0194(6) Uani 1.00 1 d .
C(149) C 0.76247(12) 0.15497(13) 0.41137(11) 0.0232(6) Uani 1.00 1 d .
C(150) C 0.73786(13) 0.0783(1) 0.35204(12) 0.0288(6) Uani 1.00 1 d .
C(151) C 0.69885(13) 0.0130(1) 0.36752(13) 0.0317(7) Uani 1.00 1 d .
C(152) C 0.68337(13) 0.0239(1) 0.44108(12) 0.0285(7) Uani 1.00 1 d .
C(153) C 0.70807(12) 0.10071(13) 0.50128(12) 0.0215(6) Uani 1.00 1 d .
C(154) C 0.69257(12) 0.19044(13) 0.62709(11) 0.0211(6) Uani 1.00 1 d .
C(155) C 0.65481(13) 0.2006(1) 0.69172(12) 0.0260(6) Uani 1.00 1 d .
C(156) C 0.65258(13) 0.2777(1) 0.74143(12) 0.0285(7) Uani 1.00 1 d .
C(157) C 0.68615(13) 0.3460(1) 0.72725(12) 0.0277(6) Uani 1.00 1 d .
C(158) C 0.72407(12) 0.33621(13) 0.66374(11) 0.0237(6) Uani 1.00 1 d .
C(159) C 0.72999(12) 0.25956(13) 0.61391(11) 0.0198(6) Uani 1.00 1 d .
C(160) C 0.6618(1) 0.04177(13) 0.59452(13) 0.0322(7) Uani 1.00 1 d .
H(1) H 0.2858 0.4338 -0.1069 0.029 Uiso 1.00 1 c R
H(2) H 0.1733 0.4000 -0.1995 0.033 Uiso 1.00 1 c R
H(3) H 0.1277 0.0224 -0.2621 0.026 Uiso 1.00 1 c R
H(4) H 0.2386 0.0552 -0.1683 0.028 Uiso 1.00 1 c R
H(5) H 0.0269 0.2510 -0.2642 0.034 Uiso 1.00 1 c R
H(6) H 0.0781 0.2464 -0.3286 0.034 Uiso 1.00 1 c R
H(7) H 0.0706 0.1140 -0.3538 0.033 Uiso 1.00 1 c R
H(8) H 0.0133 0.1167 -0.2946 0.033 Uiso 1.00 1 c R
H(9) H 0.3932 0.3433 -0.1828 0.027 Uiso 1.00 1 c R
H(10) H 0.5169 0.3931 -0.2066 0.033 Uiso 1.00 1 c R
H(11) H 0.6242 0.4400 -0.1090 0.031 Uiso 1.00 1 c R
H(12) H 0.6080 0.4359 0.0112 0.028 Uiso 1.00 1 c R
H(13) H 0.4426 0.4329 0.1981 0.032 Uiso 1.00 1 c R
H(14) H 0.3222 0.4471 0.2350 0.036 Uiso 1.00 1 c R
H(15) H 0.2146 0.4197 0.1428 0.037 Uiso 1.00 1 c R
H(16) H 0.2258 0.3654 0.0124 0.031 Uiso 1.00 1 c R
H(17) H 0.2148 0.1993 -0.0044 0.028 Uiso 1.00 1 c R
H(18) H 0.2058 0.1951 0.1168 0.038 Uiso 1.00 1 c R
H(19) H 0.3145 0.1875 0.1882 0.039 Uiso 1.00 1 c R
H(20) H 0.4309 0.1832 0.1387 0.034 Uiso 1.00 1 c R
H(21) H 0.5646 0.1337 -0.0771 0.041 Uiso 1.00 1 c R
H(22) H 0.5637 0.1027 -0.2081 0.047 Uiso 1.00 1 c R
H(23) H 0.4658 0.1254 -0.2799 0.043 Uiso 1.00 1 c R
H(24) H 0.3656 0.1752 -0.2204 0.032 Uiso 1.00 1 c R
H(25) H 0.2777 0.4371 0.4070 0.027 Uiso 1.00 1 c R
H(26) H 0.1721 0.4073 0.3088 0.032 Uiso 1.00 1 c R
H(27) H 0.1473 0.0251 0.2083 0.029 Uiso 1.00 1 c R
H(28) H 0.2520 0.0552 0.3077 0.029 Uiso 1.00 1 c R
H(29) H 0.0372 0.2547 0.2194 0.039 Uiso 1.00 1 c R
H(30) H 0.0948 0.2580 0.1615 0.039 Uiso 1.00 1 c R
H(31) H 0.0854 0.1237 0.1263 0.036 Uiso 1.00 1 c R
H(32) H 0.0285 0.1206 0.1848 0.036 Uiso 1.00 1 c R
H(33) H 0.3878 0.3276 0.3100 0.031 Uiso 1.00 1 c R
H(34) H 0.5091 0.3740 0.2788 0.038 Uiso 1.00 1 c R
H(35) H 0.6194 0.4292 0.3739 0.036 Uiso 1.00 1 c R
H(36) H 0.6086 0.4370 0.4981 0.030 Uiso 1.00 1 c R
H(37) H 0.4548 0.4423 0.6954 0.031 Uiso 1.00 1 c R
H(38) H 0.3353 0.4506 0.7374 0.036 Uiso 1.00 1 c R
H(39) H 0.2221 0.4126 0.6487 0.036 Uiso 1.00 1 c R
H(40) H 0.2290 0.3604 0.5172 0.029 Uiso 1.00 1 c R
H(41) H 0.1869 0.1849 0.4527 0.036 Uiso 1.00 1 c R
H(42) H 0.1405 0.1765 0.5629 0.046 Uiso 1.00 1 c R
H(43) H 0.2281 0.1821 0.6635 0.049 Uiso 1.00 1 c R
H(44) H 0.3597 0.1929 0.6538 0.044 Uiso 1.00 1 c R
H(45) H 0.5561 0.1574 0.4945 0.047 Uiso 1.00 1 c R
H(46) H 0.5907 0.1191 0.3719 0.054 Uiso 1.00 1 c R
H(47) H 0.5113 0.1230 0.2704 0.047 Uiso 1.00 1 c R
H(48) H 0.3952 0.1640 0.2925 0.033 Uiso 1.00 1 c R
H(49) H 1.0178 0.3806 0.1816 0.025 Uiso 1.00 1 c R
H(50) H 1.0605 0.5132 0.1796 0.026 Uiso 1.00 1 c R
H(51) H 0.7505 0.4445 -0.0516 0.032 Uiso 1.00 1 c R
H(52) H 0.7019 0.3169 -0.0403 0.029 Uiso 1.00 1 c R
H(53) H 0.9802 0.6276 0.1319 0.031 Uiso 1.00 1 c R
H(54) H 1.0209 0.5858 0.0633 0.031 Uiso 1.00 1 c R
H(55) H 0.9131 0.5600 -0.0191 0.034 Uiso 1.00 1 c R
H(56) H 0.8734 0.6045 0.0492 0.034 Uiso 1.00 1 c R
H(57) H 0.9651 0.3023 -0.0080 0.027 Uiso 1.00 1 c R
H(58) H 1.0283 0.2290 -0.1038 0.034 Uiso 1.00 1 c R
H(59) H 1.0168 0.0904 -0.1313 0.035 Uiso 1.00 1 c R
H(60) H 0.9456 0.0269 -0.0608 0.033 Uiso 1.00 1 c R
H(61) H 0.8739 0.0539 0.1776 0.033 Uiso 1.00 1 c R
H(62) H 0.8793 0.1398 0.3054 0.036 Uiso 1.00 1 c R
H(63) H 0.8822 0.2776 0.3376 0.033 Uiso 1.00 1 c R
H(64) H 0.8843 0.3302 0.2418 0.026 Uiso 1.00 1 c R
H(65) H 0.7546 0.3852 0.1602 0.030 Uiso 1.00 1 c R
H(66) H 0.6956 0.4021 0.2698 0.036 Uiso 1.00 1 c R
H(67) H 0.6431 0.2886 0.2976 0.037 Uiso 1.00 1 c R
H(68) H 0.6440 0.1580 0.2135 0.032 Uiso 1.00 1 c R
H(69) H 0.6434 -0.0165 -0.0425 0.029 Uiso 1.00 1 c R
H(70) H 0.6533 -0.0339 -0.1698 0.031 Uiso 1.00 1 c R
H(71) H 0.7173 0.0751 -0.1989 0.030 Uiso 1.00 1 c R
H(72) H 0.7733 0.2015 -0.0994 0.028 Uiso 1.00 1 c R
H(73) H 1.0109 0.3889 0.6894 0.026 Uiso 1.00 1 c R
H(74) H 1.0532 0.5194 0.6835 0.026 Uiso 1.00 1 c R
H(75) H 0.7511 0.4375 0.4372 0.033 Uiso 1.00 1 c R
H(76) H 0.7034 0.3113 0.4510 0.029 Uiso 1.00 1 c R
H(77) H 0.9724 0.6293 0.6273 0.034 Uiso 1.00 1 c R
H(78) H 1.0179 0.5883 0.5627 0.034 Uiso 1.00 1 c R
H(79) H 0.9130 0.5562 0.4739 0.037 Uiso 1.00 1 c R
H(80) H 0.8687 0.6001 0.5382 0.036 Uiso 1.00 1 c R
H(81) H 0.8740 0.3388 0.7448 0.027 Uiso 1.00 1 c R
H(82) H 0.8623 0.2891 0.8428 0.032 Uiso 1.00 1 c R
H(83) H 0.8569 0.1515 0.8151 0.039 Uiso 1.00 1 c R
H(84) H 0.8606 0.0635 0.6906 0.034 Uiso 1.00 1 c R
H(85) H 0.9483 0.0305 0.4556 0.034 Uiso 1.00 1 c R
H(86) H 1.0185 0.0897 0.3812 0.037 Uiso 1.00 1 c R
H(87) H 1.0322 0.2286 0.4058 0.036 Uiso 1.00 1 c R
H(88) H 0.9681 0.3040 0.4991 0.029 Uiso 1.00 1 c R
H(89) H 0.7889 0.2001 0.4007 0.027 Uiso 1.00 1 c R
H(90) H 0.7476 0.0709 0.3013 0.032 Uiso 1.00 1 c R
H(91) H 0.6826 -0.0398 0.3273 0.033 Uiso 1.00 1 c R
H(92) H 0.6553 -0.0212 0.4510 0.032 Uiso 1.00 1 c R
H(93) H 0.6304 0.1540 0.7014 0.032 Uiso 1.00 1 c R
H(94) H 0.6279 0.2838 0.7857 0.035 Uiso 1.00 1 c R
H(95) H 0.6830 0.3988 0.7604 0.032 Uiso 1.00 1 c R
H(96) H 0.7471 0.3830 0.6538 0.028 Uiso 1.00 1 c R
H(97) H 0.5855 0.3765 0.0891 0.045 Uiso 1.00 1 c R
H(99) H 0.5663 0.4571 0.1404 0.046 Uiso 1.00 1 c R
H(98) H 0.5314 0.3762 0.1505 0.045 Uiso 1.00 1 c R
H(100) H 0.5782 0.2077 0.0361 0.050 Uiso 1.00 1 c R
H(101) H 0.5348 0.2244 0.1070 0.050 Uiso 1.00 1 c R
H(102) H 0.5283 0.1352 0.0511 0.050 Uiso 1.00 1 c R
H(104) H 0.5755 0.4701 0.6288 0.043 Uiso 1.00 1 c R
H(105) H 0.5443 0.3946 0.6488 0.043 Uiso 1.00 1 c R
H(103) H 0.5937 0.3872 0.5828 0.043 Uiso 1.00 1 c R
H(106) H 0.4869 0.1627 0.6064 0.058 Uiso 1.00 1 c R
H(107) H 0.5385 0.2398 0.6000 0.058 Uiso 1.00 1 c R
H(108) H 0.4735 0.2483 0.6515 0.058 Uiso 1.00 1 c R
H(109) H 0.8373 -0.0218 -0.0223 0.038 Uiso 1.00 1 c R
H(110) H 0.9025 -0.0136 0.0412 0.038 Uiso 1.00 1 c R
H(111) H 0.8182 -0.0136 0.0589 0.038 Uiso 1.00 1 c R
H(113) H 0.6874 0.0560 0.1540 0.035 Uiso 1.00 1 c R
H(114) H 0.6121 0.0329 0.0957 0.035 Uiso 1.00 1 c R
H(112) H 0.6828 -0.0020 0.0690 0.035 Uiso 1.00 1 c R
H(116) H 0.8395 -0.0164 0.4916 0.039 Uiso 1.00 1 c R
H(117) H 0.9024 -0.0059 0.5582 0.039 Uiso 1.00 1 c R
H(115) H 0.8171 -0.0063 0.5722 0.039 Uiso 1.00 1 c R
H(118) H 0.6782 0.0546 0.6475 0.039 Uiso 1.00 1 c R
H(119) H 0.6064 0.0282 0.5841 0.039 Uiso 1.00 1 c R
H(120) H 0.6803 -0.0034 0.5641 0.039 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) 118.9(2)
N(1) C(19) C(18) 121.5(2)
C(20) N(1) C(19) 118.3(2)
C(26) N(1) C(19) 119.2(2)
N(1) C(20) C(21) 121.9(2)
N(1) C(20) C(25) 118.8(2)
C(26) N(1) C(20) 119.6(2)
N(2) C(33) C(28) 119.5(2)
N(2) C(33) C(32) 121.3(2)
C(34) N(2) C(33) 120.2(2)
C(40) N(2) C(33) 119.2(2)
N(2) C(34) C(35) 120.7(2)
N(2) C(34) C(39) 119.6(2)
C(40) N(2) C(34) 119.0(2)
N(3) C(59) C(54) 119.8(2)
N(3) C(59) C(58) 120.9(2)
C(60) N(3) C(59) 119.0(2)
C(66) N(3) C(59) 118.8(2)
N(3) C(60) C(61) 121.3(2)
N(3) C(60) C(65) 119.2(2)
C(66) N(3) C(60) 120.0(2)
C(74) N(4) C(73) 119.6(2)
N(4) C(73) C(68) 119.3(2)
N(4) C(73) C(72) 121.4(2)
C(80) N(4) C(73) 119.7(2)
N(4) C(74) C(75) 121.0(2)
N(4) C(74) C(79) 119.2(2)
C(80) N(4) C(74) 118.9(2)
N(5) C(99) C(94) 119.3(2)
N(5) C(99) C(98) 120.9(2)
C(100) N(5) C(99) 117.5(2)
C(106) N(5) C(99) 119.5(2)
N(5) C(100) C(101) 121.3(2)
N(5) C(100) C(105) 119.5(2)
C(106) N(5) C(100) 120.5(2)
C(114) N(6) C(113) 118.3(2)
N(6) C(113) C(108) 119.8(2)
N(6) C(113) C(112) 120.8(2)
C(120) N(6) C(113) 119.2(2)
N(6) C(114) C(119) 119.6(2)
N(6) C(114) C(115) 120.6(2)
C(120) N(6) C(114) 120.0(2)
N(7) C(139) C(134) 119.2(2)
N(7) C(139) C(138) 121.3(2)
C(140) N(7) C(139) 118.9(2)
C(146) N(7) C(139) 120.5(2)
N(7) C(140) C(141) 121.1(2)
N(7) C(140) C(145) 119.0(2)
C(146) N(7) C(140) 118.9(2)
N(8) C(153) C(148) 119.6(2)
N(8) C(153) C(152) 121.1(2)
C(154) N(8) C(153) 119.1(2)
C(160) N(8) C(153) 120.0(2)
N(8) C(154) C(155) 120.4(2)
N(8) C(154) C(159) 120.0(2)
C(160) N(8) C(154) 119.4(2)
C(13) C(1) C(2) 132.9(2)
C(1) C(2) C(3) 120.7(2)
C(10) C(1) C(2) 117.8(2)
C(13) C(1) C(10) 109.4(2)
C(1) C(10) C(5) 121.2(2)
C(1) C(10) C(9) 117.0(2)
C(1) C(13) C(14) 113.3(2)
C(1) C(13) C(25) 112.1(2)
C(1) C(13) C(27) 102.0(1)
C(2) C(3) C(4) 121.0(3)
C(3) C(4) C(5) 117.3(2)
C(3) C(4) C(11) 135.9(3)
C(4) C(5) C(10) 122.0(2)
C(11) C(4) C(5) 106.7(2)
C(4) C(5) C(6) 115.7(2)
C(4) C(11) C(12) 105.0(2)
C(10) C(5) C(6) 122.1(2)
C(5) C(6) C(12) 107.1(2)
C(5) C(6) C(7) 117.2(2)
C(5) C(10) C(9) 121.6(2)
C(12) C(6) C(7) 135.4(2)
C(6) C(7) C(8) 120.8(2)
C(6) C(12) C(11) 105.1(2)
C(7) C(8) C(9) 121.1(2)
C(8) C(9) C(27) 131.8(2)
C(8) C(9) C(10) 117.2(2)
C(27) C(9) C(10) 110.7(2)
C(9) C(27) C(13) 100.7(2)
C(9) C(27) C(28) 112.4(2)
C(9) C(27) C(39) 110.8(1)
C(13) C(14) C(19) 118.7(2)
C(25) C(13) C(14) 109.0(1)
C(27) C(13) C(14) 110.4(2)
C(13) C(14) C(15) 122.6(2)
C(13) C(25) C(20) 118.5(2)
C(27) C(13) C(25) 109.8(2)
C(13) C(25) C(24) 122.8(2)
C(13) C(27) C(28) 110.3(1)
C(13) C(27) C(39) 112.3(2)
C(19) C(14) C(15) 118.7(2)
C(14) C(15) C(16) 121.5(2)
C(14) C(19) C(18) 119.6(2)
C(15) C(16) C(17) 119.4(2)
C(16) C(17) C(18) 120.5(2)
C(17) C(18) C(19) 120.2(2)
C(25) C(20) C(21) 119.3(2)
C(20) C(21) C(22) 120.4(2)
C(20) C(25) C(24) 118.5(2)
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) 121.1(2)
C(39) C(27) C(28) 109.9(2)
C(27) C(28) C(29) 120.0(2)
C(27) C(39) C(34) 121.7(2)
C(27) C(39) C(38) 120.5(2)
C(33) C(28) C(29) 118.7(2)
C(28) C(29) C(30) 121.6(2)
C(28) C(33) C(32) 119.2(2)
C(29) C(30) C(31) 119.2(2)
C(30) C(31) C(32) 120.7(2)
C(31) C(32) C(33) 120.6(2)
C(39) C(34) C(35) 119.8(2)
C(34) C(35) C(36) 120.2(2)
C(34) C(39) C(38) 117.9(2)
C(35) C(36) C(37) 120.9(2)
C(36) C(37) C(38) 118.9(2)
C(37) C(38) C(39) 122.4(2)
C(53) C(41) C(42) 133.2(2)
C(41) C(42) C(43) 121.3(2)
C(50) C(41) C(42) 116.8(2)
C(53) C(41) C(50) 109.8(2)
C(41) C(50) C(45) 122.1(2)
C(41) C(50) C(49) 117.0(2)
C(41) C(53) C(54) 111.1(2)
C(41) C(53) C(65) 114.0(2)
C(41) C(53) C(67) 101.0(1)
C(42) C(43) C(44) 120.9(2)
C(43) C(44) C(45) 117.2(2)
C(43) C(44) C(51) 136.1(3)
C(44) C(45) C(46) 115.9(2)
C(44) C(45) C(50) 121.7(2)
C(51) C(44) C(45) 106.8(2)
C(44) C(51) C(52) 105.3(2)
C(50) C(45) C(46) 122.4(2)
C(45) C(46) C(52) 106.8(2)
C(45) C(46) C(47) 117.2(2)
C(45) C(50) C(49) 120.9(2)
C(52) C(46) C(47) 136.0(2)
C(46) C(47) C(48) 120.4(2)
C(46) C(52) C(51) 105.2(2)
C(47) C(48) C(49) 121.5(2)
C(48) C(49) C(67) 133.1(2)
C(48) C(49) C(50) 117.6(2)
C(67) C(49) C(50) 109.2(2)
C(49) C(67) C(53) 101.9(2)
C(49) C(67) C(68) 110.2(2)
C(49) C(67) C(79) 112.9(2)
C(53) C(54) C(59) 119.5(2)
C(65) C(53) C(54) 109.5(1)
C(67) C(53) C(54) 110.4(2)
C(53) C(54) C(55) 121.8(2)
C(53) C(65) C(60) 119.8(2)
C(67) C(53) C(65) 110.5(2)
C(53) C(65) C(64) 121.7(2)
C(53) C(67) C(68) 108.9(2)
C(53) C(67) C(79) 112.8(2)
C(59) C(54) C(55) 118.6(2)
C(54) C(55) C(56) 121.7(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) 120.3(2)
C(57) C(58) C(59) 120.9(2)
C(65) C(60) C(61) 119.5(2)
C(60) C(61) C(62) 120.5(2)
C(60) C(65) C(64) 118.3(2)
C(61) C(62) C(63) 120.4(2)
C(62) C(63) C(64) 119.0(2)
C(63) C(64) C(65) 122.1(2)
C(67) C(68) C(73) 120.0(2)
C(79) C(67) C(68) 109.8(2)
C(67) C(68) C(69) 121.2(2)
C(67) C(79) C(74) 120.0(2)
C(67) C(79) C(78) 121.5(2)
C(73) C(68) C(69) 118.5(2)
C(68) C(69) C(70) 122.2(2)
C(68) C(73) C(72) 119.4(2)
C(69) C(70) C(71) 118.4(3)
C(70) C(71) C(72) 121.4(3)
C(71) C(72) C(73) 120.1(2)
C(79) C(74) C(75) 119.8(2)
C(74) C(75) C(76) 120.2(3)
C(74) C(79) C(78) 118.5(2)
C(75) C(76) C(77) 120.8(3)
C(76) C(77) C(78) 119.1(2)
C(77) C(78) C(79) 121.6(2)
C(93) C(81) C(82) 134.0(2)
C(81) C(82) C(83) 121.4(2)
C(90) C(81) C(82) 117.2(2)
C(93) C(81) C(90) 107.5(2)
C(81) C(90) C(85) 121.3(2)
C(81) C(90) C(89) 116.4(2)
C(81) C(93) C(94) 108.1(2)
C(81) C(93) C(105) 115.7(2)
C(81) C(93) C(107) 101.2(2)
C(82) C(83) C(84) 120.3(2)
C(83) C(84) C(85) 117.5(2)
C(83) C(84) C(91) 135.7(2)
C(84) C(85) C(90) 122.2(2)
C(91) C(84) C(85) 106.8(2)
C(84) C(85) C(86) 115.7(2)
C(84) C(91) C(92) 105.5(2)
C(90) C(85) C(86) 122.0(2)
C(85) C(86) C(92) 106.8(2)
C(85) C(86) C(87) 116.7(2)
C(85) C(90) C(89) 122.1(2)
C(92) C(86) C(87) 136.4(2)
C(86) C(87) C(88) 121.4(2)
C(86) C(92) C(91) 105.2(2)
C(87) C(88) C(89) 120.5(2)
C(88) C(89) C(107) 134.9(2)
C(88) C(89) C(90) 117.4(2)
C(107) C(89) C(90) 107.6(2)
C(89) C(107) C(93) 100.7(2)
C(89) C(107) C(119) 115.4(2)
C(89) C(107) C(108) 110.6(2)
C(93) C(94) C(99) 119.0(2)
C(105) C(93) C(94) 108.8(2)
C(107) C(93) C(94) 111.1(1)
C(93) C(94) C(95) 122.9(2)
C(93) C(105) C(100) 119.2(2)
C(107) C(93) C(105) 111.7(2)
C(93) C(105) C(104) 121.6(2)
C(93) C(107) C(119) 113.7(2)
C(93) C(107) C(108) 107.3(2)
C(99) C(94) C(95) 118.1(2)
C(94) C(95) C(96) 121.9(2)
C(94) C(99) C(98) 119.8(2)
C(95) C(96) C(97) 119.4(2)
C(96) C(97) C(98) 120.1(2)
C(97) C(98) C(99) 120.7(2)
C(105) C(100) C(101) 119.2(2)
C(100) C(101) C(102) 120.3(2)
C(100) C(105) C(104) 119.2(2)
C(101) C(102) C(103) 120.7(3)
C(102) C(103) C(104) 119.3(2)
C(103) C(104) C(105) 121.3(2)
C(119) C(107) C(108) 108.8(2)
C(107) C(108) C(113) 119.1(2)
C(107) C(108) C(109) 122.3(2)
C(107) C(119) C(114) 120.0(2)
C(107) C(119) C(118) 121.7(2)
C(113) C(108) C(109) 118.5(2)
C(108) C(109) C(110) 121.7(2)
C(108) C(113) C(112) 119.4(2)
C(109) C(110) C(111) 119.3(2)
C(110) C(111) C(112) 120.6(2)
C(111) C(112) C(113) 120.4(2)
C(119) C(114) C(115) 119.8(2)
C(114) C(115) C(116) 120.4(2)
C(114) C(119) C(118) 118.3(2)
C(115) C(116) C(117) 120.5(2)
C(116) C(117) C(118) 119.1(2)
C(117) C(118) C(119) 121.9(2)
C(133) C(121) C(122) 133.9(2)
C(121) C(122) C(123) 120.9(2)
C(130) C(121) C(122) 117.6(2)
C(133) C(121) C(130) 107.4(2)
C(121) C(130) C(125) 121.2(2)
C(121) C(130) C(129) 116.4(2)
C(121) C(133) C(134) 115.7(2)
C(121) C(133) C(145) 108.0(2)
C(121) C(133) C(147) 101.6(2)
C(122) C(123) C(124) 120.7(2)
C(123) C(124) C(125) 117.5(2)
C(123) C(124) C(131) 135.7(2)
C(124) C(125) C(130) 122.0(2)
C(131) C(124) C(125) 106.8(2)
C(124) C(125) C(126) 116.2(2)
C(124) C(131) C(132) 105.0(2)
C(130) C(125) C(126) 121.7(2)
C(125) C(126) C(132) 106.5(2)
C(125) C(126) C(127) 117.3(2)
C(125) C(130) C(129) 122.1(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) 105.5(2)
C(127) C(128) C(129) 120.9(2)
C(128) C(129) C(147) 134.8(2)
C(128) C(129) C(130) 117.0(2)
C(147) C(129) C(130) 108.1(2)
C(129) C(147) C(133) 100.6(2)
C(129) C(147) C(148) 115.3(2)
C(129) C(147) C(159) 110.9(2)
C(133) C(134) C(139) 119.1(2)
C(145) C(133) C(134) 109.1(2)
C(147) C(133) C(134) 111.4(2)
C(133) C(134) C(135) 122.0(2)
C(133) C(145) C(140) 118.9(2)
C(147) C(133) C(145) 110.7(1)
C(133) C(145) C(144) 122.9(2)
C(133) C(147) C(148) 112.5(2)
C(133) C(147) C(159) 107.6(2)
C(139) C(134) C(135) 118.8(2)
C(134) C(135) C(136) 121.5(2)
C(134) C(139) C(138) 119.5(2)
C(135) C(136) C(137) 119.0(2)
C(136) C(137) C(138) 120.8(3)
C(137) C(138) C(139) 120.3(2)
C(145) C(140) C(141) 119.8(2)
C(140) C(141) C(142) 120.7(2)
C(140) C(145) C(144) 118.2(2)
C(141) C(142) C(143) 120.3(2)
C(142) C(143) C(144) 119.0(2)
C(143) C(144) C(145) 122.0(2)
C(147) C(148) C(153) 120.2(2)
C(159) C(147) C(148) 109.6(2)
C(147) C(148) C(149) 121.4(2)
C(147) C(159) C(154) 119.3(2)
C(147) C(159) C(158) 122.2(2)
C(153) C(148) C(149) 118.4(2)
C(148) C(149) C(150) 121.8(2)
C(148) C(153) C(152) 119.3(2)
C(149) C(150) C(151) 119.3(2)
C(150) C(151) C(152) 120.4(2)
C(151) C(152) C(153) 120.8(2)
C(159) C(154) C(155) 119.5(2)
C(154) C(155) C(156) 120.6(2)
C(154) C(159) C(158) 118.2(2)
C(155) C(156) C(157) 120.5(2)
C(156) C(157) C(158) 119.0(2)
C(157) C(158) C(159) 122.1(2)
N(1) C(26) H(97) 109.4882
N(1) C(26) H(99) 109.4170
N(1) C(26) H(98) 109.5096
N(2) C(40) H(100) 109.4313
N(2) C(40) H(101) 109.5209
N(2) C(40) H(102) 109.4519
N(3) C(66) H(104) 109.3895
N(3) C(66) H(105) 109.4807
N(3) C(66) H(103) 109.5484
N(4) C(80) H(107) 109.6027
N(4) C(80) H(106) 109.6233
N(4) C(80) H(108) 109.1732
N(5) C(106) H(109) 109.4268
N(5) C(106) H(110) 109.4257
N(5) C(106) H(111) 109.5573
N(6) C(120) H(112) 109.4975
N(6) C(120) H(113) 109.4623
N(6) C(120) H(114) 109.4463
N(7) C(146) H(116) 109.4262
N(7) C(146) H(117) 109.5124
N(7) C(146) H(115) 109.4760
N(8) C(160) H(120) 109.4433
N(8) C(160) H(118) 109.4996
N(8) C(160) H(119) 109.4805
C(1) C(2) H(1) 119.5786
H(1) C(2) C(3) 119.6954
C(2) C(3) H(2) 119.8079
H(2) C(3) C(4) 119.1839
C(4) C(11) H(5) 110.2404
C(4) C(11) H(6) 110.8581
C(6) C(7) H(3) 119.4179
C(6) C(12) H(7) 110.4582
C(6) C(12) H(8) 110.3149
H(3) C(7) C(8) 119.8243
C(7) C(8) H(4) 119.7179
H(4) C(8) C(9) 119.1807
H(5) C(11) C(12) 110.6093
H(6) C(11) C(12) 110.6175
C(11) C(12) H(7) 110.6975
C(11) C(12) H(8) 110.7295
H(6) C(11) H(5) 109.4546
H(8) C(12) H(7) 109.4583
C(14) C(15) H(9) 118.6131
H(9) C(15) C(16) 119.8507
C(15) C(16) H(10) 120.0109
H(10) C(16) C(17) 120.5641
C(16) C(17) H(11) 119.6721
C(17) C(18) H(12) 120.0892
H(11) C(17) C(18) 119.8153
H(12) C(18) C(19) 119.6608
C(20) C(21) H(13) 119.6792
H(13) C(21) C(22) 119.8730
C(21) C(22) H(14) 119.6922
H(14) C(22) C(23) 119.5696
C(22) C(23) H(15) 120.4909
C(23) C(24) H(16) 119.3497
H(15) C(23) C(24) 120.5972
H(16) C(24) C(25) 118.8140
H(99) C(26) H(97) 109.4729
H(98) C(26) H(97) 109.4686
H(98) C(26) H(99) 109.4711
C(28) C(29) H(17) 118.9023
H(17) C(29) C(30) 119.5350
C(29) C(30) H(18) 120.2501
H(18) C(30) C(31) 120.5021
C(30) C(31) H(19) 119.7619
C(31) C(32) H(20) 120.0770
H(19) C(31) C(32) 119.5878
H(20) C(32) C(33) 119.3088
C(34) C(35) H(21) 119.4614
H(21) C(35) C(36) 120.3846
C(35) C(36) H(22) 119.6226
H(22) C(36) C(37) 119.4937
C(36) C(37) H(23) 120.4643
C(37) C(38) H(24) 119.1567
H(23) C(37) C(38) 120.6467
H(24) C(38) C(39) 118.4258
H(101) C(40) H(100) 109.4717
H(102) C(40) H(100) 109.4747
H(102) C(40) H(101) 109.4768
C(41) C(42) H(25) 119.0601
H(25) C(42) C(43) 119.6016
C(42) C(43) H(26) 119.6640
H(26) C(43) C(44) 119.4557
C(44) C(51) H(30) 110.0228
C(44) C(51) H(29) 110.7352
C(46) C(47) H(27) 119.5138
C(46) C(52) H(31) 110.4549
C(46) C(52) H(32) 110.0695
H(27) C(47) C(48) 120.0523
C(47) C(48) H(28) 119.5224
H(28) C(48) C(49) 118.9676
H(30) C(51) C(52) 110.2910
C(51) C(52) H(31) 111.1647
H(29) C(51) C(52) 110.9815
C(51) C(52) H(32) 110.4668
H(30) C(51) H(29) 109.4549
H(32) C(52) H(31) 109.4578
C(54) C(55) H(33) 118.5955
C(55) C(56) H(34) 120.4852
H(33) C(55) C(56) 119.6900
H(34) C(56) C(57) 120.3196
C(56) C(57) H(35) 119.7655
C(57) C(58) H(36) 119.5955
H(35) C(57) C(58) 119.9666
H(36) C(58) C(59) 119.4849
C(60) C(61) H(37) 119.6201
H(37) C(61) C(62) 119.8825
C(61) C(62) H(38) 119.6600
H(38) C(62) C(63) 119.8943
C(62) C(63) H(39) 120.3356
C(63) C(64) H(40) 119.3097
H(39) C(63) C(64) 120.6242
H(40) C(64) C(65) 118.6135
H(105) C(66) H(104) 109.4653
H(103) C(66) H(104) 109.4644
H(103) C(66) H(105) 109.4789
C(68) C(69) H(41) 118.5773
H(41) C(69) C(70) 119.2477
C(69) C(70) H(42) 120.7747
H(42) C(70) C(71) 120.8249
C(70) C(71) H(43) 119.0435
C(71) C(72) H(44) 120.3400
H(43) C(71) C(72) 119.5692
H(44) C(72) C(73) 119.5400
C(74) C(75) H(45) 119.5349
H(45) C(75) C(76) 120.2282
C(75) C(76) H(46) 119.7044
H(46) C(76) C(77) 119.5139
C(76) C(77) H(47) 120.5955
C(77) C(78) H(48) 119.9465
H(47) C(77) C(78) 120.2919
H(48) C(78) C(79) 118.4877
H(107) C(80) H(106) 109.4753
H(108) C(80) H(106) 109.4797
H(108) C(80) H(107) 109.4727
C(81) C(82) H(49) 119.1557
H(49) C(82) C(83) 119.4580
C(82) C(83) H(50) 120.2482
H(50) C(83) C(84) 119.4708
C(84) C(91) H(53) 110.4081
C(84) C(91) H(54) 110.3289
C(86) C(87) H(51) 119.0487
C(86) C(92) H(55) 110.2519
C(86) C(92) H(56) 110.6818
H(51) C(87) C(88) 119.5318
C(87) C(88) H(52) 119.9841
H(52) C(88) C(89) 119.5538
H(53) C(91) C(92) 110.5213
H(54) C(91) C(92) 110.5489
C(91) C(92) H(55) 110.5842
C(91) C(92) H(56) 110.6129
H(54) C(91) H(53) 109.4561
H(56) C(92) H(55) 109.4580
C(94) C(95) H(57) 118.6590
H(57) C(95) C(96) 119.4717
C(95) C(96) H(58) 120.2633
H(58) C(96) C(97) 120.3507
C(96) C(97) H(59) 119.7548
C(97) C(98) H(60) 119.6366
H(59) C(97) C(98) 120.1590
H(60) C(98) C(99) 119.6421
C(100) C(101) H(61) 119.6280
H(61) C(101) C(102) 120.0517
C(101) C(102) H(62) 119.8363
H(62) C(102) C(103) 119.4542
C(102) C(103) H(63) 120.4914
C(103) C(104) H(64) 119.6494
H(63) C(103) C(104) 120.2498
H(64) C(104) C(105) 119.0222
H(110) C(106) H(109) 109.4761
H(111) C(106) H(109) 109.4733
H(111) C(106) H(110) 109.4680
C(108) C(109) H(65) 119.1577
C(109) C(110) H(66) 120.5560
H(65) C(109) C(110) 119.1534
C(110) C(111) H(67) 119.5371
H(66) C(110) C(111) 120.1661
C(111) C(112) H(68) 119.9834
H(67) C(111) C(112) 119.8744
H(68) C(112) C(113) 119.5639
C(114) C(115) H(69) 119.6698
H(69) C(115) C(116) 119.8998
C(115) C(116) H(70) 119.8864
H(70) C(116) C(117) 119.5964
C(116) C(117) H(71) 120.5169
C(117) C(118) H(72) 119.0701
H(71) C(117) C(118) 120.3879
H(72) C(118) C(119) 118.9990
H(112) C(120) H(113) 109.4786
H(114) C(120) H(113) 109.4699
H(112) C(120) H(114) 109.4727
C(121) C(122) H(73) 119.3868
H(73) C(122) C(123) 119.6691
C(122) C(123) H(74) 119.8052
H(74) C(123) C(124) 119.5097
C(124) C(131) H(77) 110.4149
C(124) C(131) H(78) 110.6395
C(126) C(127) H(75) 119.2270
C(126) C(132) H(79) 110.2732
C(126) C(132) H(80) 110.2746
H(75) C(127) C(128) 119.7697
C(127) C(128) H(76) 119.8310
H(76) C(128) C(129) 119.2294
H(77) C(131) C(132) 110.5185
H(78) C(131) C(132) 110.7827
C(131) C(132) H(79) 110.5031
C(131) C(132) H(80) 110.7721
H(78) C(131) H(77) 109.4594
H(80) C(132) H(79) 109.4596
C(134) C(135) H(81) 118.9239
H(81) C(135) C(136) 119.5727
C(135) C(136) H(82) 120.5188
H(82) C(136) C(137) 120.4648
C(136) C(137) H(83) 119.3706
C(137) C(138) H(84) 120.1429
H(83) C(137) C(138) 119.7952
H(84) C(138) C(139) 119.5602
C(140) C(141) H(85) 119.0995
H(85) C(141) C(142) 120.1909
C(141) C(142) H(86) 120.0197
C(142) C(143) H(87) 120.7436
H(86) C(142) C(143) 119.7197
H(87) C(143) C(144) 120.2369
C(143) C(144) H(88) 119.1631
H(88) C(144) C(145) 118.8527
H(117) C(146) H(116) 109.4675
H(115) C(146) H(116) 109.4786
H(115) C(146) H(117) 109.4666
C(148) C(149) H(89) 118.8773
C(149) C(150) H(90) 120.3943
H(89) C(149) C(150) 119.3353
H(90) C(150) C(151) 120.3297
C(150) C(151) H(91) 119.7027
C(151) C(152) H(92) 119.9032
H(91) C(151) C(152) 119.8797
H(92) C(152) C(153) 119.3215
C(154) C(155) H(93) 119.7224
H(93) C(155) C(156) 119.7069
C(155) C(156) H(94) 119.6653
H(94) C(156) C(157) 119.8276
C(156) C(157) H(95) 120.4294
C(157) C(158) H(96) 119.2245
H(95) C(157) C(158) 120.5909
H(96) C(158) C(159) 118.7062
H(120) C(160) H(118) 109.4605
H(119) C(160) H(118) 109.4709
H(120) C(160) H(119) 109.4725
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) C(19) 1.401(3)
N(1) C(20) 1.401(3)
N(1) C(26) 1.452(3)
N(2) C(33) 1.394(3)
N(2) C(34) 1.395(3)
N(2) C(40) 1.457(3)
N(3) C(59) 1.398(3)
N(3) C(60) 1.401(3)
N(3) C(66) 1.453(3)
N(4) C(73) 1.395(3)
N(4) C(74) 1.402(3)
N(4) C(80) 1.456(3)
N(5) C(99) 1.399(3)
N(5) C(100) 1.396(3)
N(5) C(106) 1.449(3)
N(6) C(113) 1.400(3)
N(6) C(114) 1.403(3)
N(6) C(120) 1.453(3)
N(7) C(139) 1.396(3)
N(7) C(140) 1.399(3)
N(7) C(146) 1.449(3)
N(8) C(153) 1.397(3)
N(8) C(154) 1.401(3)
N(8) C(160) 1.453(3)
C(1) C(2) 1.378(4)
C(1) C(10) 1.397(3)
C(1) C(13) 1.527(3)
C(2) C(3) 1.435(3)
C(3) C(4) 1.374(3)
C(4) C(5) 1.399(4)
C(4) C(11) 1.523(3)
C(5) C(6) 1.393(3)
C(5) C(10) 1.382(3)
C(6) C(7) 1.379(4)
C(6) C(12) 1.517(3)
C(7) C(8) 1.431(3)
C(8) C(9) 1.384(3)
C(9) C(10) 1.390(4)
C(9) C(27) 1.526(3)
C(11) C(12) 1.572(4)
C(13) C(14) 1.503(3)
C(13) C(25) 1.507(3)
C(13) C(27) 1.772(3)
C(14) C(15) 1.391(3)
C(14) C(19) 1.403(3)
C(15) C(16) 1.381(3)
C(16) C(17) 1.382(3)
C(17) C(18) 1.380(3)
C(18) C(19) 1.398(3)
C(20) C(21) 1.402(3)
C(20) C(25) 1.401(3)
C(21) C(22) 1.379(4)
C(22) C(23) 1.381(3)
C(23) C(24) 1.384(3)
C(24) C(25) 1.395(3)
C(27) C(28) 1.512(3)
C(27) C(39) 1.509(3)
C(28) C(29) 1.392(3)
C(28) C(33) 1.409(3)
C(29) C(30) 1.382(3)
C(30) C(31) 1.380(4)
C(31) C(32) 1.378(4)
C(32) C(33) 1.396(3)
C(34) C(35) 1.405(3)
C(34) C(39) 1.401(3)
C(35) C(36) 1.373(4)
C(36) C(37) 1.376(4)
C(37) C(38) 1.381(3)
C(38) C(39) 1.389(3)
C(41) C(42) 1.382(4)
C(41) C(50) 1.391(3)
C(41) C(53) 1.528(3)
C(42) C(43) 1.430(3)
C(43) C(44) 1.378(3)
C(44) C(45) 1.398(4)
C(44) C(51) 1.521(3)
C(45) C(46) 1.398(3)
C(45) C(50) 1.383(3)
C(46) C(47) 1.381(4)
C(46) C(52) 1.523(4)
C(47) C(48) 1.429(3)
C(48) C(49) 1.376(3)
C(49) C(50) 1.397(4)
C(49) C(67) 1.522(3)
C(51) C(52) 1.570(4)
C(53) C(54) 1.510(3)
C(53) C(65) 1.509(3)
C(53) C(67) 1.758(3)
C(54) C(55) 1.392(3)
C(54) C(59) 1.402(3)
C(55) C(56) 1.382(3)
C(56) C(57) 1.385(3)
C(57) C(58) 1.374(4)
C(58) C(59) 1.397(3)
C(60) C(61) 1.399(3)
C(60) C(65) 1.401(3)
C(61) C(62) 1.381(4)
C(62) C(63) 1.378(3)
C(63) C(64) 1.383(3)
C(64) C(65) 1.390(3)
C(67) C(68) 1.509(3)
C(67) C(79) 1.509(3)
C(68) C(69) 1.396(3)
C(68) C(73) 1.398(3)
C(69) C(70) 1.378(4)
C(70) C(71) 1.379(4)
C(71) C(72) 1.377(4)
C(72) C(73) 1.401(4)
C(74) C(75) 1.396(4)
C(74) C(79) 1.401(4)
C(75) C(76) 1.376(4)
C(76) C(77) 1.377(4)
C(77) C(78) 1.389(4)
C(78) C(79) 1.388(3)
C(81) C(82) 1.382(3)
C(81) C(90) 1.399(4)
C(81) C(93) 1.523(3)
C(82) C(83) 1.432(3)
C(83) C(84) 1.380(4)
C(84) C(85) 1.397(3)
C(84) C(91) 1.519(4)
C(85) C(86) 1.404(4)
C(85) C(90) 1.375(3)
C(86) C(87) 1.380(3)
C(86) C(92) 1.519(3)
C(87) C(88) 1.441(3)
C(88) C(89) 1.380(4)
C(89) C(90) 1.396(2)
C(89) C(107) 1.531(4)
C(91) C(92) 1.566(3)
C(93) C(94) 1.530(3)
C(93) C(105) 1.510(3)
C(93) C(107) 1.709(3)
C(94) C(95) 1.395(3)
C(94) C(99) 1.399(3)
C(95) C(96) 1.384(3)
C(96) C(97) 1.381(4)
C(97) C(98) 1.380(4)
C(98) C(99) 1.398(3)
C(100) C(101) 1.398(4)
C(100) C(105) 1.401(3)
C(101) C(102) 1.379(3)
C(102) C(103) 1.384(4)
C(103) C(104) 1.379(4)
C(104) C(105) 1.391(3)
C(107) C(108) 1.527(3)
C(107) C(119) 1.510(2)
C(108) C(109) 1.391(3)
C(108) C(113) 1.408(3)
C(109) C(110) 1.383(3)
C(110) C(111) 1.381(4)
C(111) C(112) 1.379(3)
C(112) C(113) 1.399(3)
C(114) C(115) 1.398(2)
C(114) C(119) 1.405(3)
C(115) C(116) 1.380(3)
C(116) C(117) 1.379(4)
C(117) C(118) 1.390(3)
C(118) C(119) 1.387(3)
C(121) C(122) 1.377(2)
C(121) C(130) 1.402(3)
C(121) C(133) 1.525(3)
C(122) C(123) 1.430(3)
C(123) C(124) 1.381(4)
C(124) C(125) 1.397(3)
C(124) C(131) 1.525(4)
C(125) C(126) 1.398(4)
C(125) C(130) 1.376(3)
C(126) C(127) 1.376(3)
C(126) C(132) 1.524(3)
C(127) C(128) 1.435(3)
C(128) C(129) 1.380(4)
C(129) C(130) 1.397(2)
C(129) C(147) 1.530(4)
C(131) C(132) 1.572(3)
C(133) C(134) 1.508(3)
C(133) C(145) 1.528(3)
C(133) C(147) 1.712(3)
C(134) C(135) 1.391(3)
C(134) C(139) 1.404(3)
C(135) C(136) 1.382(4)
C(136) C(137) 1.386(4)
C(137) C(138) 1.377(3)
C(138) C(139) 1.395(4)
C(140) C(141) 1.395(3)
C(140) C(145) 1.401(3)
C(141) C(142) 1.377(4)
C(142) C(143) 1.385(4)
C(143) C(144) 1.387(3)
C(144) C(145) 1.391(3)
C(147) C(148) 1.507(2)
C(147) C(159) 1.519(3)
C(148) C(149) 1.393(3)
C(148) C(153) 1.411(3)
C(149) C(150) 1.388(3)
C(150) C(151) 1.379(4)
C(151) C(152) 1.383(3)
C(152) C(153) 1.397(3)
C(154) C(155) 1.401(3)
C(154) C(159) 1.404(3)
C(155) C(156) 1.382(3)
C(156) C(157) 1.383(4)
C(157) C(158) 1.385(3)
C(158) C(159) 1.396(3)
C(2) H(1) 0.9500
C(3) H(2) 0.9500
C(7) H(3) 0.9500
C(8) H(4) 0.9500
C(11) H(5) 0.9501
C(11) H(6) 0.9500
C(12) H(7) 0.9500
C(12) H(8) 0.9499
C(15) H(9) 0.9500
C(16) H(10) 0.9500
C(17) H(11) 0.9500
C(18) H(12) 0.9500
C(21) H(13) 0.9500
C(22) H(14) 0.9500
C(23) H(15) 0.9501
C(24) H(16) 0.9500
C(26) H(97) 0.9501
C(26) H(99) 0.9500
C(26) H(98) 0.9500
C(29) H(17) 0.9499
C(30) H(18) 0.9500
C(31) H(19) 0.9499
C(32) H(20) 0.9499
C(35) H(21) 0.9500
C(36) H(22) 0.9500
C(37) H(23) 0.9500
C(38) H(24) 0.9500
C(40) H(100) 0.9500
C(40) H(101) 0.9500
C(40) H(102) 0.9500
C(42) H(25) 0.9500
C(43) H(26) 0.9500
C(47) H(27) 0.9500
C(48) H(28) 0.9499
C(51) H(29) 0.9500
C(51) H(30) 0.9500
C(52) H(31) 0.9499
C(52) H(32) 0.9500
C(55) H(33) 0.9500
C(56) H(34) 0.9500
C(57) H(35) 0.9500
C(58) H(36) 0.9500
C(61) H(37) 0.9501
C(62) H(38) 0.9500
C(63) H(39) 0.9501
C(64) H(40) 0.9499
C(66) H(104) 0.9499
C(66) H(105) 0.9500
C(66) H(103) 0.9500
C(69) H(41) 0.9501
C(70) H(42) 0.9499
C(71) H(43) 0.9500
C(72) H(44) 0.9498
C(75) H(45) 0.9500
C(76) H(46) 0.9499
C(77) H(47) 0.9500
C(78) H(48) 0.9501
C(80) H(106) 0.9500
C(80) H(107) 0.9500
C(80) H(108) 0.9500
C(82) H(49) 0.9500
C(83) H(50) 0.9500
C(87) H(51) 0.9500
C(88) H(52) 0.9500
C(91) H(53) 0.9499
C(91) H(54) 0.9500
C(92) H(55) 0.9500
C(92) H(56) 0.9500
C(95) H(57) 0.9499
C(96) H(58) 0.9501
C(97) H(59) 0.9500
C(98) H(60) 0.9500
C(101) H(61) 0.9500
C(102) H(62) 0.9500
C(103) H(63) 0.9500
C(104) H(64) 0.9500
C(106) H(109) 0.9499
C(106) H(110) 0.9499
C(106) H(111) 0.9500
C(109) H(65) 0.9500
C(110) H(66) 0.9500
C(111) H(67) 0.9500
C(112) H(68) 0.9500
C(115) H(69) 0.9500
C(116) H(70) 0.9500
C(117) H(71) 0.9499
C(118) H(72) 0.9500
C(120) H(113) 0.9500
C(120) H(114) 0.9500
C(120) H(112) 0.9500
C(122) H(73) 0.9499
C(123) H(74) 0.9500
C(127) H(75) 0.9501
C(128) H(76) 0.9500
C(131) H(77) 0.9500
C(131) H(78) 0.9501
C(132) H(79) 0.9501
C(132) H(80) 0.9500
C(135) H(81) 0.9500
C(136) H(82) 0.9500
C(137) H(83) 0.9500
C(138) H(84) 0.9501
C(141) H(85) 0.9499
C(142) H(86) 0.9500
C(143) H(87) 0.9500
C(144) H(88) 0.9500
C(146) H(116) 0.9501
C(146) H(117) 0.9500
C(146) H(115) 0.9500
C(149) H(89) 0.9500
C(150) H(90) 0.9500
C(151) H(91) 0.9499
C(152) H(92) 0.9500
C(155) H(93) 0.9500
C(156) H(94) 0.9501
C(157) H(95) 0.9501
C(158) H(96) 0.9500
C(160) H(118) 0.9501
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) 3.194(3) .
N(1) C(13) 2.804(2) .
N(1) C(14) 2.415(3) .
N(1) C(18) 2.441(3) .
N(1) C(21) 2.450(3) .
N(1) C(25) 2.411(3) .
N(1) C(27) 3.516(2) .
N(1) C(28) 3.538(2) .
N(1) C(33) 3.324(3) .
N(2) C(26) 3.488(3) .
N(2) C(27) 2.883(3) .
N(2) C(28) 2.421(3) .
N(2) C(32) 2.432(3) .
N(2) C(35) 2.433(3) .
N(2) C(39) 2.416(3) .
N(3) N(4) 3.193(3) .
N(3) C(53) 2.844(2) .
N(3) C(54) 2.422(3) .
N(3) C(58) 2.431(3) .
N(3) C(61) 2.441(3) .
N(3) C(65) 2.417(3) .
N(3) C(74) 3.400(3) .
N(4) C(60) 3.313(3) .
N(4) C(67) 2.842(3) .
N(4) C(68) 2.411(3) .
N(4) C(72) 2.438(3) .
N(4) C(75) 2.435(3) .
N(4) C(79) 2.417(3) .
N(5) N(6) 3.303(3) .
N(5) C(93) 2.829(3) .
N(5) C(94) 2.415(3) .
N(5) C(98) 2.432(3) .
N(5) C(101) 2.435(3) .
N(5) C(105) 2.417(2) .
N(5) C(114) 3.187(3) .
N(5) C(119) 3.354(3) .
N(6) C(40) 3.574(3) .
N(6) C(100) 3.119(3) .
N(6) C(105) 3.304(2) .
N(6) C(107) 2.855(3) .
N(6) C(108) 2.429(3) .
N(6) C(112) 2.435(3) .
N(6) C(115) 2.433(2) .
N(6) C(119) 2.427(3) .
N(7) N(8) 3.296(3) .
N(7) C(133) 2.823(3) .
N(7) C(134) 2.416(3) .
N(7) C(138) 2.433(3) .
N(7) C(141) 2.433(3) .
N(7) C(145) 2.413(3) .
N(7) C(147) 3.588(3) .
N(7) C(148) 3.322(3) .
N(7) C(153) 3.158(3) .
N(8) C(134) 3.364(2) .
N(8) C(139) 3.138(3) .
N(8) C(147) 2.860(3) .
N(8) C(148) 2.427(3) .
N(8) C(152) 2.433(3) .
N(8) C(155) 2.432(3) .
N(8) C(159) 2.430(3) .
C(1) C(3) 2.445(4) .
C(1) C(4) 2.847(3) .
C(1) C(5) 2.422(2) .
C(1) C(9) 2.376(3) .
C(1) C(14) 2.530(3) .
C(1) C(15) 2.906(3) .
C(1) C(24) 2.882(3) .
C(1) C(25) 2.517(3) .
C(1) C(27) 2.569(4) .
C(2) C(4) 2.445(2) .
C(2) C(5) 2.756(3) .
C(2) C(10) 2.376(3) .
C(2) C(13) 2.663(4) .
C(2) C(14) 3.271(3) .
C(2) C(15) 3.298(3) .
C(2) C(24) 3.411(3) .
C(2) C(25) 3.335(3) .
C(2) C(92) 3.594(3) 66502
C(3) C(5) 2.369(4) .
C(3) C(10) 2.762(4) .
C(3) C(11) 2.686(3) .
C(3) C(92) 3.429(3) 66502
C(4) C(6) 2.364(3) .
C(4) C(10) 2.432(4) .
C(4) C(12) 2.455(3) .
C(5) C(7) 2.366(3) .
C(5) C(8) 2.748(4) .
C(5) C(9) 2.420(3) .
C(5) C(11) 2.346(3) .
C(5) C(12) 2.342(3) .
C(6) C(8) 2.443(3) .
C(6) C(9) 2.851(3) .
C(6) C(10) 2.428(2) .
C(6) C(11) 2.453(4) .
C(7) C(9) 2.451(2) .
C(7) C(10) 2.758(3) .
C(7) C(12) 2.681(4) .
C(8) C(10) 2.368(3) .
C(8) C(27) 2.658(2) .
C(8) C(28) 3.323(2) .
C(8) C(29) 3.526(3) .
C(8) C(38) 3.320(3) .
C(8) C(39) 3.221(3) .
C(9) C(13) 2.544(2) .
C(9) C(25) 3.555(2) .
C(9) C(28) 2.525(3) .
C(9) C(29) 2.908(3) .
C(9) C(38) 2.863(3) .
C(9) C(39) 2.499(3) .
C(10) C(13) 2.387(2) .
C(10) C(14) 3.511(3) .
C(10) C(25) 3.412(2) .
C(10) C(27) 2.400(3) .
C(10) C(28) 3.487(3) .
C(10) C(38) 3.584(3) .
C(10) C(39) 3.445(3) .
C(11) C(134) 3.588(3) 45401
C(11) C(139) 3.545(3) 45401
C(12) C(138) 3.489(3) 45401
C(12) C(139) 3.553(3) 45401
C(13) C(15) 2.538(3) .
C(13) C(19) 2.500(3) .
C(13) C(20) 2.499(3) .
C(13) C(24) 2.548(3) .
C(13) C(28) 2.700(3) .
C(13) C(29) 3.351(3) .
C(13) C(33) 3.597(4) .
C(13) C(38) 3.422(3) .
C(13) C(39) 2.730(3) .
C(14) C(16) 2.419(3) .
C(14) C(17) 2.787(3) .
C(14) C(18) 2.421(3) .
C(14) C(20) 2.813(3) .
C(14) C(25) 2.451(3) .
C(14) C(27) 2.693(3) .
C(14) C(34) 3.563(4) .
C(14) C(38) 3.301(3) .
C(14) C(39) 2.874(3) .
C(15) C(17) 2.386(3) .
C(15) C(18) 2.761(3) .
C(15) C(19) 2.403(3) .
C(15) C(27) 3.533(3) .
C(15) C(38) 3.230(3) .
C(15) C(39) 3.395(3) .
C(16) C(18) 2.398(3) .
C(16) C(19) 2.786(3) .
C(16) C(21) 3.494(3) 66502
C(17) C(19) 2.409(3) .
C(17) C(20) 3.304(3) 66502
C(17) C(21) 3.472(4) 66502
C(17) C(25) 3.577(3) 66502
C(18) C(26) 2.847(4) .
C(19) C(20) 2.405(3) .
C(19) C(25) 2.793(3) .
C(19) C(26) 2.460(3) .
C(19) C(27) 3.426(3) .
C(19) C(34) 3.519(3) .
C(19) C(39) 3.385(3) .
C(20) C(17) 3.304(3) 66502
C(20) C(22) 2.414(3) .
C(20) C(23) 2.795(3) .
C(20) C(24) 2.403(3) .
C(20) C(26) 2.465(3) .
C(20) C(27) 3.383(2) .
C(20) C(28) 3.165(3) .
C(20) C(33) 3.297(3) .
C(21) C(16) 3.494(3) 66502
C(21) C(17) 3.472(4) 66502
C(21) C(23) 2.399(4) .
C(21) C(24) 2.756(3) .
C(21) C(25) 2.419(3) .
C(21) C(26) 2.862(4) .
C(22) C(24) 2.382(3) .
C(22) C(25) 2.788(3) .
C(23) C(25) 2.429(3) .
C(24) C(27) 3.542(3) .
C(24) C(28) 3.438(3) .
C(24) C(29) 3.097(3) .
C(25) C(17) 3.577(3) 66502
C(25) C(27) 2.688(3) .
C(25) C(28) 2.810(3) .
C(25) C(29) 3.074(3) .
C(25) C(33) 3.527(4) .
C(26) C(40) 3.503(4) .
C(27) C(29) 2.516(3) .
C(27) C(33) 2.544(3) .
C(27) C(34) 2.542(3) .
C(27) C(38) 2.517(3) .
C(28) C(30) 2.421(3) .
C(28) C(31) 2.785(3) .
C(28) C(32) 2.419(3) .
C(28) C(34) 2.813(3) .
C(28) C(39) 2.474(3) .
C(29) C(31) 2.383(4) .
C(29) C(32) 2.758(4) .
C(29) C(33) 2.409(3) .
C(29) C(106) 3.519(3) 65502
C(30) C(32) 2.396(4) .
C(30) C(33) 2.793(3) .
C(30) C(46) 3.593(4) .
C(30) C(106) 3.553(3) 65502
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C(142) C(144) 2.388(3) .
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C(145) C(147) 2.668(3) .
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C(145) C(149) 3.217(3) .
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C(153) C(154) 2.412(3) .
C(153) C(159) 2.817(3) .
C(153) C(160) 2.468(4) .
C(154) C(156) 2.417(3) .
C(154) C(157) 2.797(3) .
C(154) C(158) 2.403(3) .
C(154) C(160) 2.464(3) .
C(155) C(157) 2.401(3) .
C(155) C(158) 2.756(4) .
C(155) C(159) 2.424(3) .
C(155) C(160) 2.829(3) .
C(156) C(158) 2.385(3) .
C(156) C(159) 2.796(3) .
C(157) C(159) 2.433(3) .
N(1) H(12) 2.6254 .
N(1) H(13) 2.6388 .
N(1) H(97) 1.9828 .
N(1) H(99) 1.9819 .
N(1) H(98) 1.9830 .
N(2) H(20) 2.6110 .
N(2) H(21) 2.6100 .
N(2) H(97) 3.3199 .
N(2) H(98) 3.3441 .
N(2) H(100) 1.9864 .
N(2) H(101) 1.9874 .
N(2) H(102) 1.9866 .
N(2) H(112) 3.5851 65502
N(3) H(36) 2.6087 .
N(3) H(37) 2.6232 .
N(3) H(104) 1.9828 .
N(3) H(105) 1.9838 .
N(3) H(103) 1.9846 .
N(3) H(107) 3.4270 .
N(4) H(44) 2.6208 .
N(4) H(45) 2.6132 .
N(4) H(92) 3.4368 65602
N(4) H(105) 3.3868 .
N(4) H(106) 1.9874 .
N(4) H(107) 1.9872 .
N(4) H(108) 1.9822 .
N(4) H(120) 3.5231 65602
N(5) H(32) 3.3362 65501
N(5) H(60) 2.6135 .
N(5) H(61) 2.6183 .
N(5) H(109) 1.9791 .
N(5) H(110) 1.9791 .
N(5) H(111) 1.9807 .
N(5) H(112) 3.5475 .
N(6) H(68) 2.6139 .
N(6) H(69) 2.6108 .
N(6) H(100) 3.2394 .
N(6) H(102) 3.1567 .
N(6) H(111) 3.3935 .
N(6) H(113) 1.9833 .
N(6) H(114) 1.9832 .
N(6) H(112) 1.9837 .
N(7) H(7) 3.5830 65601
N(7) H(8) 3.3138 65601
N(7) H(84) 2.6146 .
N(7) H(85) 2.6065 .
N(7) H(116) 1.9793 .
N(7) H(117) 1.9802 .
N(7) H(115) 1.9798 .
N(7) H(120) 3.5365 .
N(8) H(45) 3.1906 .
N(8) H(92) 2.6102 .
N(8) H(93) 2.6103 .
N(8) H(115) 3.3591 .
N(8) H(118) 1.9835 .
N(8) H(119) 1.9832 .
N(8) H(120) 1.9828 .
C(1) H(1) 2.0235 .
C(1) H(2) 3.2947 .
C(1) H(9) 2.5441 .
C(1) H(16) 2.5113 .
C(1) H(17) 3.5501 .
C(1) H(24) 3.3938 .
C(1) H(56) 3.3787 66502
C(2) H(2) 2.0776 .
C(2) H(9) 2.7860 .
C(2) H(12) 3.5501 66502
C(2) H(16) 2.8763 .
C(2) H(38) 3.4430 55401
C(2) H(56) 2.8585 66502
C(3) H(1) 2.0765 .
C(3) H(5) 3.0244 .
C(3) H(6) 2.9635 .
C(3) H(38) 3.4689 55401
C(3) H(53) 3.2530 66502
C(3) H(56) 2.7931 66502
C(4) H(1) 3.2929 .
C(4) H(2) 2.0161 .
C(4) H(5) 2.0547 .
C(4) H(6) 2.0617 .
C(4) H(7) 3.0563 .
C(4) H(8) 3.1147 .
C(4) H(43) 2.9507 55401
C(4) H(53) 3.2486 66502
C(4) H(56) 3.2587 66502
C(4) H(58) 3.3661 45501
C(5) H(2) 3.2315 .
C(5) H(3) 3.2301 .
C(5) H(5) 2.9389 .
C(5) H(6) 3.0104 .
C(5) H(7) 2.9581 .
C(5) H(8) 2.9847 .
C(5) H(43) 2.7029 55401
C(5) H(58) 3.2039 45501
C(6) H(3) 2.0228 .
C(6) H(4) 3.2919 .
C(6) H(5) 3.0509 .
C(6) H(6) 3.1146 .
C(6) H(7) 2.0524 .
C(6) H(8) 2.0508 .
C(6) H(43) 2.7458 55401
C(6) H(58) 3.3944 45501
C(6) H(59) 3.2345 45501
C(7) H(4) 2.0729 .
C(7) H(7) 2.9683 .
C(7) H(8) 2.9977 .
C(7) H(43) 3.3238 55401
C(7) H(59) 3.1914 45501
C(7) H(61) 2.9063 65502
C(7) H(62) 3.5776 65502
C(7) H(90) 3.4213 65502
C(7) H(91) 3.5547 65502
C(8) H(3) 2.0740 .
C(8) H(17) 3.1256 .
C(8) H(24) 2.9692 .
C(8) H(61) 2.9037 65502
C(8) H(90) 3.2898 65502
C(8) H(91) 3.3590 65502
C(8) H(111) 3.1591 65502
C(9) H(3) 3.3006 .
C(9) H(4) 2.0252 .
C(9) H(17) 2.5598 .
C(9) H(24) 2.5359 .
C(10) H(1) 3.2391 .
C(10) H(4) 3.2295 .
C(10) H(9) 3.2918 .
C(10) H(16) 3.1184 .
C(10) H(17) 3.0878 .
C(10) H(24) 2.9942 .
C(10) H(43) 3.2828 55401
C(11) H(2) 2.9403 .
C(11) H(7) 2.1042 .
C(11) H(8) 2.1045 .
C(11) H(42) 3.1239 55401
C(11) H(43) 3.2209 55401
C(11) H(53) 3.3708 66502
C(11) H(58) 3.5607 45501
C(11) H(73) 3.3745 45401
C(12) H(3) 2.9377 .
C(12) H(5) 2.1032 .
C(12) H(6) 2.1033 .
C(12) H(42) 3.1640 55401
C(12) H(43) 3.0321 55401
C(12) H(84) 3.5485 45401
C(12) H(85) 3.3520 65502
C(12) H(117) 3.5940 45401
C(13) H(1) 2.9005 .
C(13) H(9) 2.6908 .
C(13) H(16) 2.7081 .
C(13) H(17) 3.3339 .
C(13) H(24) 3.3377 .
C(14) H(1) 3.2076 .
C(14) H(9) 2.0253 .
C(14) H(10) 3.2718 .
C(14) H(12) 3.2782 .
C(14) H(24) 3.3621 .
C(15) H(1) 3.2261 .
C(15) H(10) 2.0301 .
C(15) H(11) 3.2431 .
C(15) H(24) 3.0907 .
C(15) H(99) 3.2736 66502
C(16) H(9) 2.0286 .
C(16) H(11) 2.0280 .
C(16) H(12) 3.2550 .
C(16) H(13) 3.4829 66502
C(16) H(37) 3.3716 55401
C(16) H(94) 3.1270 55401
C(16) H(95) 3.5174 55401
C(16) H(99) 3.2280 66502
C(16) H(108) 3.5135 55401
C(17) H(9) 3.2444 .
C(17) H(10) 2.0366 .
C(17) H(12) 2.0303 .
C(17) H(51) 3.0913 .
C(17) H(52) 3.5691 .
C(17) H(94) 3.0005 55401
C(17) H(95) 3.3321 55401
C(18) H(1) 3.4639 66502
C(18) H(10) 3.2576 .
C(18) H(11) 2.0276 .
C(18) H(51) 3.3164 .
C(18) H(52) 3.2987 .
C(18) H(97) 2.5975 .
C(18) H(99) 2.9904 .
C(19) H(9) 3.2571 .
C(19) H(11) 3.2661 .
C(19) H(12) 2.0427 .
C(19) H(97) 2.5666 .
C(19) H(99) 2.8269 .
C(19) H(98) 3.2162 .
C(20) H(11) 3.1140 66502
C(20) H(13) 2.0465 .
C(20) H(14) 3.2698 .
C(20) H(16) 3.2572 .
C(20) H(97) 3.2259 .
C(20) H(99) 2.8105 .
C(20) H(98) 2.5889 .
C(21) H(10) 3.1857 66502
C(21) H(11) 3.1269 66502
C(21) H(14) 2.0253 .
C(21) H(15) 3.2565 .
C(21) H(34) 3.3043 .
C(21) H(37) 3.4465 66602
C(21) H(99) 2.9889 .
C(21) H(98) 2.6266 .
C(22) H(11) 3.1617 66502
C(22) H(13) 2.0271 .
C(22) H(15) 2.0349 .
C(22) H(16) 3.2384 .
C(22) H(95) 2.9673 66602
C(22) H(104) 3.4916 66602
C(23) H(11) 3.1651 66502
C(23) H(13) 3.2535 .
C(23) H(14) 2.0258 .
C(23) H(16) 2.0270 .
C(23) H(51) 3.4611 66502
C(23) H(95) 3.2266 66602
C(24) H(1) 3.4619 .
C(24) H(11) 3.1731 66502
C(24) H(14) 3.2397 .
C(24) H(15) 2.0392 .
C(24) H(17) 2.9455 .
C(24) H(51) 3.2908 66502
C(24) H(56) 3.1894 66502
C(25) H(1) 3.3400 .
C(25) H(11) 3.1942 66502
C(25) H(13) 3.2759 .
C(25) H(15) 3.2846 .
C(25) H(16) 2.0309 .
C(25) H(17) 3.1851 .
C(26) H(12) 2.5124 .
C(26) H(13) 2.5290 .
C(26) H(34) 3.3833 .
C(26) H(38) 3.3053 66602
C(26) H(100) 3.4336 .
C(26) H(101) 3.0896 .
C(27) H(4) 2.8836 .
C(27) H(17) 2.6554 .
C(27) H(24) 2.6483 .
C(28) H(4) 3.2757 .
C(28) H(17) 2.0297 .
C(28) H(18) 3.2759 .
C(28) H(20) 3.2754 .
C(28) H(111) 3.5661 65502
C(28) H(112) 3.2900 65502
C(29) H(4) 3.5684 .
C(29) H(16) 3.3030 .
C(29) H(18) 2.0335 .
C(29) H(19) 3.2413 .
C(29) H(109) 3.2692 65502
C(29) H(111) 3.0841 65502
C(30) H(17) 2.0264 .
C(30) H(19) 2.0267 .
C(30) H(20) 3.2521 .
C(30) H(30) 3.3940 .
C(30) H(31) 3.1574 .
C(30) H(109) 2.9573 65502
C(30) H(111) 3.4283 65502
C(31) H(17) 3.2394 .
C(31) H(18) 2.0339 .
C(31) H(20) 2.0281 .
C(31) H(33) 3.2438 .
C(31) H(48) 3.3435 .
C(31) H(69) 3.2441 65502
C(31) H(70) 3.2088 65502
C(31) H(109) 3.5367 65502
C(32) H(18) 3.2546 .
C(32) H(19) 2.0233 .
C(32) H(69) 2.8129 65502
C(32) H(70) 3.3371 65502
C(32) H(98) 3.5988 .
C(32) H(101) 2.5686 .
C(32) H(102) 2.9971 .
C(33) H(17) 3.2647 .
C(33) H(19) 3.2639 .
C(33) H(20) 2.0371 .
C(33) H(69) 3.1646 65502
C(33) H(98) 3.4943 .
C(33) H(100) 3.2168 .
C(33) H(101) 2.5752 .
C(33) H(102) 2.8186 .
C(33) H(112) 3.2516 65502
C(34) H(21) 2.0466 .
C(34) H(22) 3.2648 .
C(34) H(24) 3.2455 .
C(34) H(100) 2.5483 .
C(34) H(101) 3.2051 .
C(34) H(102) 2.8483 .
C(34) H(114) 3.5430 65502
C(35) H(22) 2.0195 .
C(35) H(23) 3.2488 .
C(35) H(100) 2.5337 .
C(35) H(102) 3.0156 .
C(36) H(21) 2.0270 .
C(36) H(23) 2.0297 .
C(36) H(24) 3.2292 .
C(36) H(93) 3.0880 55401
C(36) H(94) 3.3519 55401
C(37) H(21) 3.2486 .
C(37) H(22) 2.0202 .
C(37) H(24) 2.0216 .
C(37) H(44) 3.3899 55401
C(37) H(91) 2.9262 65502
C(37) H(93) 3.3096 55401
C(37) H(94) 3.4208 55401
C(37) H(106) 3.3792 55401
C(37) H(108) 3.5567 55401
C(38) H(4) 3.3717 .
C(38) H(9) 3.2039 .
C(38) H(22) 3.2319 .
C(38) H(23) 2.0362 .
C(38) H(44) 3.2134 55401
C(38) H(91) 2.8348 65502
C(39) H(4) 3.1809 .
C(39) H(9) 3.5923 .
C(39) H(21) 3.2812 .
C(39) H(23) 3.2819 .
C(39) H(24) 2.0221 .
C(40) H(20) 2.4838 .
C(40) H(21) 2.4770 .
C(40) H(97) 3.1270 .
C(40) H(98) 3.2073 .
C(41) H(25) 2.0220 .
C(41) H(26) 3.2990 .
C(41) H(33) 2.5048 .
C(41) H(40) 2.5586 .
C(41) H(41) 3.3107 .
C(41) H(80) 3.3910 66602
C(42) H(14) 3.4646 .
C(42) H(26) 2.0717 .
C(42) H(33) 2.9473 .
C(42) H(36) 3.5611 66602
C(42) H(40) 2.8842 .
C(42) H(80) 2.7887 66602
C(43) H(14) 3.2924 .
C(43) H(25) 2.0710 .
C(43) H(29) 2.9994 .
C(43) H(30) 2.9881 .
C(43) H(77) 3.1325 66602
C(43) H(80) 2.8942 66602
C(44) H(18) 3.0649 .
C(44) H(25) 3.2908 .
C(44) H(26) 2.0223 .
C(44) H(29) 2.0593 .
C(44) H(30) 2.0511 .
C(44) H(31) 3.0927 .
C(44) H(32) 3.0860 .
C(44) H(77) 3.3062 66602
C(44) H(80) 3.5630 66602
C(45) H(18) 3.0491 .
C(45) H(19) 3.0951 .
C(45) H(26) 3.2340 .
C(45) H(27) 3.2359 .
C(45) H(29) 2.9731 .
C(45) H(30) 2.9748 .
C(45) H(31) 2.9834 .
C(45) H(32) 2.9655 .
C(45) H(41) 3.5253 .
C(46) H(18) 2.8800 .
C(46) H(19) 3.2310 .
C(46) H(27) 2.0250 .
C(46) H(28) 3.2877 .
C(46) H(29) 3.0925 .
C(46) H(30) 3.0832 .
C(46) H(31) 2.0574 .
C(46) H(32) 2.0530 .
C(46) H(60) 3.5272 65502
C(47) H(19) 3.3161 .
C(47) H(28) 2.0694 .
C(47) H(31) 2.9884 .
C(47) H(32) 2.9996 .
C(47) H(60) 3.4993 65502
C(47) H(84) 3.2607 65602
C(48) H(19) 3.3354 .
C(48) H(27) 2.0747 .
C(48) H(41) 2.9826 .
C(48) H(48) 2.8987 .
C(48) H(70) 3.3242 65502
C(48) H(71) 3.3660 65502
C(48) H(84) 3.1243 65602
C(48) H(115) 3.4408 65602
C(49) H(19) 3.2611 .
C(49) H(27) 3.2968 .
C(49) H(28) 2.0158 .
C(49) H(33) 3.4143 .
C(49) H(41) 2.4840 .
C(49) H(48) 2.5614 .
C(50) H(19) 3.1145 .
C(50) H(25) 3.2249 .
C(50) H(28) 3.2326 .
C(50) H(33) 2.9364 .
C(50) H(40) 3.3252 .
C(50) H(41) 2.8215 .
C(50) H(48) 3.3283 .
C(51) H(18) 2.8692 .
C(51) H(26) 2.9499 .
C(51) H(31) 2.1084 .
C(51) H(32) 2.1004 .
C(51) H(49) 3.1268 45501
C(51) H(77) 3.5588 66602
C(52) H(18) 2.7342 .
C(52) H(27) 2.9526 .
C(52) H(29) 2.1064 .
C(52) H(30) 2.0984 .
C(52) H(60) 3.0568 65502
C(53) H(25) 2.9050 .
C(53) H(33) 2.6797 .
C(53) H(40) 2.6815 .
C(53) H(41) 3.4113 .
C(53) H(48) 3.4956 .
C(54) H(25) 3.3195 .
C(54) H(33) 2.0259 .
C(54) H(34) 3.2779 .
C(54) H(36) 3.2718 .
C(54) H(48) 3.3252 .
C(55) H(19) 3.5127 .
C(55) H(25) 3.4942 .
C(55) H(34) 2.0356 .
C(55) H(35) 3.2450 .
C(55) H(48) 3.0525 .
C(55) H(104) 3.1634 66602
C(56) H(13) 3.2077 .
C(56) H(33) 2.0279 .
C(56) H(35) 2.0318 .
C(56) H(36) 3.2478 .
C(56) H(37) 3.4073 66602
C(56) H(67) 3.1773 .
C(56) H(98) 3.4358 .
C(56) H(104) 3.2377 66602
C(57) H(33) 3.2451 .
C(57) H(34) 2.0372 .
C(57) H(36) 2.0197 .
C(57) H(66) 3.2162 .
C(57) H(67) 2.8497 .
C(57) H(75) 3.1716 .
C(58) H(25) 3.5333 66602
C(58) H(34) 3.2506 .
C(58) H(35) 2.0233 .
C(58) H(75) 3.3393 .
C(58) H(76) 3.3778 .
C(58) H(104) 2.9518 .
C(58) H(103) 2.5841 .
C(59) H(33) 3.2561 .
C(59) H(35) 3.2665 .
C(59) H(36) 2.0395 .
C(59) H(104) 2.8118 .
C(59) H(105) 3.2142 .
C(59) H(103) 2.5669 .
C(60) H(35) 3.1958 66602
C(60) H(37) 2.0426 .
C(60) H(38) 3.2684 .
C(60) H(40) 3.2502 .
C(60) H(104) 2.8471 .
C(60) H(105) 2.5783 .
C(60) H(103) 3.2229 .
C(61) H(10) 3.3651 55601
C(61) H(13) 3.4708 66602
C(61) H(34) 3.3506 66602
C(61) H(35) 3.0499 66602
C(61) H(38) 2.0271 .
C(61) H(39) 3.2537 .
C(61) H(99) 3.5505 66602
C(61) H(104) 3.0457 .
C(61) H(105) 2.5787 .
C(61) H(108) 3.5786 .
C(62) H(35) 3.0890 66602
C(62) H(37) 2.0294 .
C(62) H(39) 2.0311 .
C(62) H(40) 3.2360 .
C(62) H(66) 3.0346 66602
C(62) H(99) 3.3085 66602
C(63) H(35) 3.2251 66602
C(63) H(37) 3.2505 .
C(63) H(38) 2.0267 .
C(63) H(40) 2.0255 .
C(63) H(66) 3.1718 66602
C(63) H(75) 3.5684 66602
C(64) H(25) 3.3319 .
C(64) H(35) 3.3576 66602
C(64) H(38) 3.2401 .
C(64) H(39) 2.0384 .
C(64) H(41) 3.2527 .
C(64) H(75) 3.4553 66602
C(64) H(80) 3.1766 66602
C(65) H(25) 3.2450 .
C(65) H(35) 3.3937 66602
C(65) H(37) 3.2755 .
C(65) H(39) 3.2813 .
C(65) H(40) 2.0243 .
C(65) H(41) 3.5864 .
C(66) H(14) 3.3611 66602
C(66) H(36) 2.4785 .
C(66) H(37) 2.5173 .
C(66) H(107) 3.0228 .
C(66) H(108) 3.4263 .
C(67) H(28) 2.8910 .
C(67) H(33) 3.4698 .
C(67) H(40) 3.5461 .
C(67) H(41) 2.6754 .
C(67) H(48) 2.6679 .
C(68) H(28) 3.3392 .
C(68) H(40) 3.3490 .
C(68) H(41) 2.0300 .
C(68) H(42) 3.2846 .
C(68) H(44) 3.2724 .
C(68) H(115) 3.3813 65602
C(68) H(120) 3.3711 65602
C(69) H(40) 2.9800 .
C(69) H(42) 2.0345 .
C(69) H(43) 3.2249 .
C(69) H(116) 3.1770 65602
C(69) H(117) 3.3170 65602
C(69) H(115) 2.9609 65602
C(70) H(6) 3.1424 55601
C(70) H(7) 3.1413 55601
C(70) H(40) 3.5366 .
C(70) H(41) 2.0197 .
C(70) H(43) 2.0194 .
C(70) H(44) 3.2589 .
C(70) H(116) 2.7180 65602
C(70) H(117) 3.1834 65602
C(70) H(115) 3.2044 65602
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C(153) H(115) 3.5170 .
C(153) H(118) 3.2039 .
C(153) H(119) 2.8794 .
C(153) H(120) 2.5516 .
C(154) H(45) 3.1563 .
C(154) H(93) 2.0457 .
C(154) H(94) 3.2722 .
C(154) H(96) 3.2582 .
C(154) H(106) 3.5481 .
C(154) H(107) 3.1100 .
C(154) H(118) 2.5910 .
C(154) H(119) 2.8059 .
C(154) H(120) 3.2266 .
C(155) H(22) 3.3099 55601
C(155) H(23) 3.4969 55601
C(155) H(94) 2.0282 .
C(155) H(95) 3.2593 .
C(155) H(106) 3.1020 .
C(155) H(107) 2.9613 .
C(155) H(108) 3.5996 .
C(155) H(118) 2.6003 .
C(155) H(119) 2.9434 .
C(156) H(10) 3.4672 55601
C(156) H(11) 3.4116 55601
C(156) H(93) 2.0285 .
C(156) H(95) 2.0362 .
C(156) H(96) 3.2406 .
C(156) H(106) 3.4717 .
C(156) H(107) 3.0072 .
C(156) H(108) 3.3406 .
C(157) H(10) 3.4725 55601
C(157) H(11) 3.3239 55601
C(157) H(14) 3.5886 66602
C(157) H(81) 3.3582 .
C(157) H(93) 3.2550 .
C(157) H(94) 2.0303 .
C(157) H(96) 2.0263 .
C(157) H(105) 3.2628 .
C(157) H(103) 3.4713 .
C(157) H(107) 3.1660 .
C(158) H(81) 2.9594 .
C(158) H(94) 3.2445 .
C(158) H(95) 2.0397 .
C(158) H(105) 3.5833 .
C(158) H(103) 3.1565 .
C(158) H(107) 3.2965 .
C(159) H(45) 3.4163 .
C(159) H(76) 3.5525 .
C(159) H(81) 3.1202 .
C(159) H(93) 3.2807 .
C(159) H(95) 3.2886 .
C(159) H(96) 2.0311 .
C(159) H(107) 3.3188 .
C(160) H(28) 3.4512 65602
C(160) H(92) 2.5101 .
C(160) H(93) 2.4796 .
C(160) H(115) 3.0641 .
H(1) C(18) 3.4639 66502
H(1) C(86) 3.3210 66502
H(1) C(87) 3.2363 66502
H(2) C(84) 3.4906 66502
H(2) C(85) 3.3766 66502
H(2) C(86) 3.3563 66502
H(2) C(91) 3.4886 66502
H(2) C(92) 3.4275 66502
H(3) C(101) 3.1454 65502
H(3) C(102) 3.2737 65502
H(3) C(142) 3.4024 65502
H(3) C(150) 3.4611 65502
H(4) C(101) 3.1188 65502
H(4) C(106) 3.5270 65502
H(4) C(120) 3.1891 65502
H(4) C(150) 3.5435 65502
H(5) C(134) 2.8889 45401
H(5) C(135) 2.9363 45401
H(5) C(136) 3.1354 45401
H(5) C(137) 3.2513 45401
H(5) C(138) 3.2022 45401
H(5) C(139) 3.0158 45401
H(6) C(70) 3.1424 55401
H(6) C(71) 3.4824 55401
H(6) C(134) 3.5663 45401
H(6) C(140) 3.5811 45401
H(6) C(145) 3.4909 45401
H(7) N(7) 3.5830 45401
H(7) C(70) 3.1413 55401
H(7) C(71) 3.2726 55401
H(7) C(141) 3.3845 65502
H(8) N(7) 3.3138 45401
H(8) C(137) 3.2637 45401
H(8) C(138) 2.6654 45401
H(8) C(139) 2.9819 45401
H(8) C(146) 3.5958 45401
H(10) C(21) 3.1857 66502
H(10) C(61) 3.3651 55401
H(10) C(156) 3.4672 55401
H(10) C(157) 3.4725 55401
H(11) C(20) 3.1140 66502
H(11) C(21) 3.1269 66502
H(11) C(22) 3.1617 66502
H(11) C(23) 3.1651 66502
H(11) C(24) 3.1731 66502
H(11) C(25) 3.1942 66502
H(11) C(156) 3.4116 55401
H(11) C(157) 3.3239 55401
H(12) C(2) 3.5501 66502
H(13) C(16) 3.4829 66502
H(13) C(61) 3.4708 66602
H(14) C(66) 3.3611 66602
H(14) C(157) 3.5886 66602
H(16) C(86) 3.5852 66502
H(16) C(92) 3.0052 66502
H(17) C(106) 3.4528 65502
H(18) C(106) 3.5443 65502
H(19) C(116) 3.5169 65502
H(20) C(115) 3.5693 65502
H(22) C(155) 3.3099 55401
H(23) C(80) 3.1412 55401
H(23) C(151) 3.2912 65502
H(23) C(155) 3.4969 55401
H(24) C(72) 3.3132 55401
H(24) C(151) 3.4238 65502
H(25) C(58) 3.5333 66602
H(25) C(126) 3.1271 66602
H(25) C(127) 3.1300 66602
H(25) C(132) 3.4646 66602
H(26) C(124) 3.2674 66602
H(26) C(125) 3.2079 66602
H(26) C(126) 3.3032 66602
H(26) C(131) 3.3407 66602
H(26) C(132) 3.3894 66602
H(27) C(97) 3.2044 65502
H(27) C(98) 3.0708 65502
H(27) C(117) 3.4464 65502
H(27) C(138) 3.5886 65602
H(28) C(116) 3.5670 65502
H(28) C(117) 3.3369 65502
H(28) C(138) 3.3313 65602
H(28) C(160) 3.4512 65602
H(29) C(82) 3.5302 45501
H(29) C(100) 3.0882 45501
H(29) C(101) 3.3089 45501
H(29) C(102) 3.3117 45501
H(29) C(103) 3.1070 45501
H(29) C(104) 2.8454 45501
H(29) C(105) 2.8426 45501
H(30) C(82) 3.5520 45501
H(31) C(98) 3.3939 65502
H(31) C(106) 3.4032 65502
H(32) N(5) 3.3362 45501
H(32) C(100) 2.9487 45501
H(32) C(101) 2.6785 45501
H(32) C(102) 3.2328 45501
H(34) C(61) 3.3506 66602
H(35) C(60) 3.1958 66602
H(35) C(61) 3.0499 66602
H(35) C(62) 3.0890 66602
H(35) C(63) 3.2251 66602
H(35) C(64) 3.3576 66602
H(35) C(65) 3.3937 66602
H(36) C(42) 3.5611 66602
H(37) C(16) 3.3716 55601
H(37) C(21) 3.4465 66602
H(37) C(56) 3.4073 66602
H(38) C(2) 3.4430 55601
H(38) C(3) 3.4689 55601
H(38) C(26) 3.3053 66602
H(40) C(132) 3.0947 66602
H(41) C(142) 3.3016 45501
H(41) C(143) 3.3763 45501
H(41) C(146) 3.4611 65602
H(42) C(11) 3.1239 55601
H(42) C(12) 3.1640 55601
H(42) C(141) 3.4616 45501
H(42) C(142) 3.3067 45501
H(42) C(143) 3.5694 45501
H(42) C(146) 3.2597 65602
H(43) C(4) 2.9507 55601
H(43) C(5) 2.7029 55601
H(43) C(6) 2.7458 55601
H(43) C(7) 3.3238 55601
H(43) C(10) 3.2828 55601
H(43) C(11) 3.2209 55601
H(43) C(12) 3.0321 55601
H(44) C(37) 3.3899 55601
H(44) C(38) 3.2134 55601
H(44) C(151) 3.5211 65602
H(44) C(152) 3.5606 65602
H(48) C(116) 3.5062 65502
H(49) C(51) 3.1268 65501
H(51) C(23) 3.4611 66502
H(51) C(24) 3.2908 66502
H(53) C(3) 3.2530 66502
H(53) C(4) 3.2486 66502
H(53) C(11) 3.3708 66502
H(56) C(1) 3.3787 66502
H(56) C(2) 2.8585 66502
H(56) C(3) 2.7931 66502
H(56) C(4) 3.2587 66502
H(56) C(24) 3.1894 66502
H(58) C(4) 3.3661 65501
H(58) C(5) 3.2039 65501
H(58) C(6) 3.3944 65501
H(58) C(11) 3.5607 65501
H(58) C(136) 3.5908 55401
H(58) C(137) 3.3434 55401
H(59) C(6) 3.2345 65501
H(59) C(7) 3.1914 65501
H(60) C(46) 3.5272 65502
H(60) C(47) 3.4993 65502
H(60) C(52) 3.0568 65502
H(61) C(7) 2.9063 65502
H(61) C(8) 2.9037 65502
H(62) C(7) 3.5776 65502
H(66) C(62) 3.0346 66602
H(66) C(63) 3.1718 66602
H(69) C(31) 3.2441 65502
H(69) C(32) 2.8129 65502
H(69) C(33) 3.1646 65502
H(70) C(31) 3.2088 65502
H(70) C(32) 3.3371 65502
H(70) C(48) 3.3242 65502
H(70) C(77) 3.4230 65502
H(70) C(78) 3.1386 65502
H(71) C(48) 3.3660 65502
H(71) C(137) 2.9512 55401
H(71) C(138) 3.4267 55401
H(72) C(136) 2.9824 55401
H(72) C(137) 2.8638 55401
H(73) C(11) 3.3745 65601
H(75) C(63) 3.5684 66602
H(75) C(64) 3.4553 66602
H(77) C(43) 3.1325 66602
H(77) C(44) 3.3062 66602
H(77) C(51) 3.5588 66602
H(80) C(41) 3.3910 66602
H(80) C(42) 2.7887 66602
H(80) C(43) 2.8942 66602
H(80) C(44) 3.5630 66602
H(80) C(64) 3.1766 66602
H(82) C(87) 3.5456 55601
H(82) C(88) 3.4436 55601
H(82) C(95) 3.4594 55601
H(82) C(118) 3.4942 55601
H(83) C(95) 3.1970 55601
H(83) C(96) 2.8912 55601
H(83) C(97) 3.1381 55601
H(83) C(117) 2.8411 55601
H(83) C(118) 2.7529 55601
H(84) C(12) 3.5485 65601
H(84) C(47) 3.2607 65602
H(84) C(48) 3.1243 65602
H(85) C(12) 3.3520 65502
H(90) C(7) 3.4213 65502
H(90) C(8) 3.2898 65502
H(91) C(7) 3.5547 65502
H(91) C(8) 3.3590 65502
H(91) C(37) 2.9262 65502
H(91) C(38) 2.8348 65502
H(91) C(71) 3.5653 65602
H(91) C(72) 3.3163 65602
H(92) N(4) 3.4368 65602
H(92) C(72) 2.9902 65602
H(92) C(73) 3.1857 65602
H(93) C(36) 3.0880 55601
H(93) C(37) 3.3096 55601
H(94) C(16) 3.1270 55601
H(94) C(17) 3.0005 55601
H(94) C(36) 3.3519 55601
H(94) C(37) 3.4208 55601
H(95) C(16) 3.5174 55601
H(95) C(17) 3.3321 55601
H(95) C(22) 2.9673 66602
H(95) C(23) 3.2266 66602
H(99) C(15) 3.2736 66502
H(99) C(16) 3.2280 66502
H(99) C(61) 3.5505 66602
H(99) C(62) 3.3085 66602
H(104) C(22) 3.4916 66602
H(104) C(55) 3.1634 66602
H(104) C(56) 3.2377 66602
H(106) C(37) 3.3792 55601
H(108) C(16) 3.5135 55601
H(108) C(37) 3.5567 55601
H(109) C(29) 3.2692 65502
H(109) C(30) 2.9573 65502
H(109) C(31) 3.5367 65502
H(111) C(8) 3.1591 65502
H(111) C(28) 3.5661 65502
H(111) C(29) 3.0841 65502
H(111) C(30) 3.4283 65502
H(114) C(34) 3.5430 65502
H(112) N(2) 3.5851 65502
H(112) C(28) 3.2900 65502
H(112) C(33) 3.2516 65502
H(116) C(69) 3.1770 65602
H(116) C(70) 2.7180 65602
H(116) C(71) 3.0008 65602
H(117) C(12) 3.5940 65601
H(117) C(69) 3.3170 65602
H(117) C(70) 3.1834 65602
H(115) C(48) 3.4408 65602
H(115) C(68) 3.3813 65602
H(115) C(69) 2.9609 65602
H(115) C(70) 3.2044 65602
H(119) C(74) 3.5002 65602
H(119) C(75) 3.4724 65602
H(120) N(4) 3.5231 65602
H(120) C(68) 3.3711 65602
H(120) C(73) 3.2796 65602
H(120) C(74) 3.4458 65602
H(120) C(79) 3.5937 65602
N(1) N(2) 3.194(3) .
N(3) N(4) 3.193(3) .
N(5) N(6) 3.303(3) .
N(7) N(8) 3.296(3) .
C(1) C(9) 2.376(3) .
C(4) C(6) 2.364(3) .
C(41) C(49) 2.378(3) .
C(44) C(46) 2.370(3) .
C(81) C(89) 2.376(3) .
C(84) C(86) 2.371(3) .
C(121) C(129) 2.379(3) .
C(124) C(126) 2.374(3) .
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) -29.0(3)
C(20) N(1) C(19) C(18) 150.5(2)
C(26) N(1) C(19) C(14) 170.4(2)
C(26) N(1) C(19) C(18) -10.1(3)
C(19) N(1) C(20) C(21) -154.3(2)
C(19) N(1) C(20) C(25) 25.6(3)
C(26) N(1) C(20) C(21) 6.2(3)
C(26) N(1) C(20) C(25) -173.9(2)
C(34) N(2) C(33) C(28) -17.5(3)
C(34) N(2) C(33) C(32) 161.5(2)
C(40) N(2) C(33) C(28) 176.9(2)
C(40) N(2) C(33) C(32) -4.0(3)
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) -172.3(2)
C(60) N(3) C(59) C(54) -25.0(3)
C(60) N(3) C(59) C(58) 153.9(2)
C(66) N(3) C(59) C(54) 171.5(2)
C(66) N(3) C(59) C(58) -9.7(3)
C(59) N(3) C(60) C(61) -158.1(2)
C(59) N(3) C(60) C(65) 21.3(3)
C(66) N(3) C(60) C(61) 5.3(3)
C(66) N(3) C(60) C(65) -175.3(2)
C(74) N(4) C(73) C(68) -21.7(3)
C(74) N(4) C(73) C(72) 158.5(2)
C(80) N(4) C(73) C(68) 173.7(2)
C(80) N(4) C(73) C(72) -6.1(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) 10.3(3)
C(80) N(4) C(74) C(79) -170.7(2)
C(100) N(5) C(99) C(94) -30.3(3)
C(100) N(5) C(99) C(98) 147.7(2)
C(106) N(5) C(99) C(94) 167.3(2)
C(106) N(5) C(99) C(98) -14.7(3)
C(99) N(5) C(100) C(101) -148.3(2)
C(99) N(5) C(100) C(105) 30.0(3)
C(106) N(5) C(100) C(101) 13.8(3)
C(106) N(5) C(100) C(105) -167.8(2)
C(114) N(6) C(113) C(108) -23.3(3)
C(114) N(6) C(113) C(112) 155.7(2)
C(120) N(6) C(113) C(108) 174.3(2)
C(120) N(6) C(113) C(112) -6.8(3)
C(113) N(6) C(114) C(115) -152.2(2)
C(113) N(6) C(114) C(119) 26.6(3)
C(120) N(6) C(114) C(115) 10.1(3)
C(120) N(6) C(114) C(119) -171.1(2)
C(140) N(7) C(139) C(134) 27.1(3)
C(140) N(7) C(139) C(138) -151.7(2)
C(146) N(7) C(139) C(134) -168.0(2)
C(146) N(7) C(139) C(138) 13.2(3)
C(139) N(7) C(140) C(141) 151.1(2)
C(139) N(7) C(140) C(145) -27.1(3)
C(146) N(7) C(140) C(141) -14.0(3)
C(146) N(7) C(140) C(145) 167.8(2)
C(154) N(8) C(153) C(148) 23.7(3)
C(154) N(8) C(153) C(152) -157.3(2)
C(160) N(8) C(153) C(148) -170.1(2)
C(160) N(8) C(153) C(152) 8.9(3)
C(153) N(8) C(154) C(155) 159.7(2)
C(153) N(8) C(154) C(159) -20.4(3)
C(160) N(8) C(154) C(155) -6.6(3)
C(160) N(8) C(154) C(159) 173.3(2)
C(10) C(1) C(2) C(3) 0.2(3)
C(13) C(1) C(2) C(3) 179.2(2)
C(2) C(1) C(10) C(5) -0.3(3)
C(2) C(1) C(10) C(9) 174.9(2)
C(13) C(1) C(10) C(5) -179.5(2)
C(13) C(1) C(10) C(9) -4.2(3)
C(2) C(1) C(13) C(14) -55.5(3)
C(2) C(1) C(13) C(25) 68.4(3)
C(2) C(1) C(13) C(27) -174.1(2)
C(10) C(1) C(13) C(14) 123.5(2)
C(10) C(1) C(13) C(25) -112.6(2)
C(10) C(1) C(13) C(27) 4.9(2)
C(1) C(2) C(3) C(4) 0.5(3)
C(2) C(3) C(4) C(5) -1.2(3)
C(2) C(3) C(4) C(11) -178.3(2)
C(3) C(4) C(5) C(6) -173.7(2)
C(3) C(4) C(5) C(10) 1.1(3)
C(11) C(4) C(5) C(6) 4.2(3)
C(11) C(4) C(5) C(10) 179.1(2)
C(3) C(4) C(11) C(12) 172.1(2)
C(5) C(4) C(11) C(12) -5.3(2)
C(4) C(5) C(6) C(7) 174.2(2)
C(4) C(5) C(6) C(12) -1.2(3)
C(10) C(5) C(6) C(7) -0.6(3)
C(10) C(5) C(6) C(12) -176.0(2)
C(4) C(5) C(10) C(1) -0.4(3)
C(4) C(5) C(10) C(9) -175.4(2)
C(6) C(5) C(10) C(1) 174.1(2)
C(6) C(5) C(10) C(9) -0.9(3)
C(5) C(6) C(7) C(8) 1.4(3)
C(12) C(6) C(7) C(8) 175.1(2)
C(5) C(6) C(12) C(11) -2.3(2)
C(7) C(6) C(12) C(11) -176.4(2)
C(6) C(7) C(8) C(9) -0.8(3)
C(7) C(8) C(9) C(10) -0.7(3)
C(7) C(8) C(9) C(27) -174.1(2)
C(8) C(9) C(10) C(1) -173.7(2)
C(8) C(9) C(10) C(5) 1.5(3)
C(27) C(9) C(10) C(1) 1.1(3)
C(27) C(9) C(10) C(5) 176.3(2)
C(8) C(9) C(27) C(13) 175.8(2)
C(8) C(9) C(27) C(28) -66.8(3)
C(8) C(9) C(27) C(39) 56.7(3)
C(10) C(9) C(27) C(13) 2.0(2)
C(10) C(9) C(27) C(28) 119.4(2)
C(10) C(9) C(27) C(39) -117.1(2)
C(4) C(11) C(12) C(6) 4.6(2)
C(1) C(13) C(14) C(15) -22.0(3)
C(1) C(13) C(14) C(19) 161.1(2)
C(25) C(13) C(14) C(15) -147.6(2)
C(25) C(13) C(14) C(19) 35.5(3)
C(27) C(13) C(14) C(15) 91.7(3)
C(27) C(13) C(14) C(19) -85.2(2)
C(1) C(13) C(25) C(20) -165.1(2)
C(1) C(13) C(25) C(24) 19.9(3)
C(14) C(13) C(25) C(20) -38.8(3)
C(14) C(13) C(25) C(24) 146.1(2)
C(27) C(13) C(25) C(20) 82.2(2)
C(27) C(13) C(25) C(24) -92.8(3)
C(1) C(13) C(27) C(9) -4.1(2)
C(1) C(13) C(27) C(28) -123.0(2)
C(1) C(13) C(27) C(39) 113.9(2)
C(14) C(13) C(27) C(9) -124.7(2)
C(14) C(13) C(27) C(28) 116.3(2)
C(14) C(13) C(27) C(39) -6.8(2)
C(25) C(13) C(27) C(9) 115.0(2)
C(25) C(13) C(27) C(28) -3.9(2)
C(25) C(13) C(27) C(39) -127.0(2)
C(13) C(14) C(15) C(16) -176.2(2)
C(19) C(14) C(15) C(16) 0.7(3)
C(13) C(14) C(19) N(1) -3.7(3)
C(13) C(14) C(19) C(18) 176.8(2)
C(15) C(14) C(19) N(1) 179.3(2)
C(15) C(14) C(19) C(18) -0.2(3)
C(14) C(15) C(16) C(17) -0.5(4)
C(15) C(16) C(17) C(18) -0.1(3)
C(16) C(17) C(18) C(19) 0.5(4)
C(17) C(18) C(19) N(1) -179.9(2)
C(17) C(18) C(19) C(14) -0.4(3)
N(1) C(20) C(21) C(22) 176.7(2)
C(25) C(20) C(21) C(22) -3.3(4)
N(1) C(20) C(25) C(13) 10.2(3)
N(1) C(20) C(25) C(24) -174.6(2)
C(21) C(20) C(25) C(13) -169.9(2)
C(21) C(20) C(25) C(24) 5.4(3)
C(20) C(21) C(22) C(23) -0.9(4)
C(21) C(22) C(23) C(24) 2.9(4)
C(22) C(23) C(24) C(25) -0.7(4)
C(23) C(24) C(25) C(13) 171.6(2)
C(23) C(24) C(25) C(20) -3.4(4)
C(9) C(27) C(28) C(29) -35.4(3)
C(9) C(27) C(28) C(33) 150.3(2)
C(13) C(27) C(28) C(29) 76.1(2)
C(13) C(27) C(28) C(33) -98.2(2)
C(39) C(27) C(28) C(29) -159.4(2)
C(39) C(27) C(28) C(33) 26.3(2)
C(9) C(27) C(39) C(34) -146.8(2)
C(9) C(27) C(39) C(38) 32.8(3)
C(13) C(27) C(39) C(34) 101.4(2)
C(13) C(27) C(39) C(38) -79.0(2)
C(28) C(27) C(39) C(34) -21.9(2)
C(28) C(27) C(39) C(38) 157.8(2)
C(27) C(28) C(29) C(30) -171.3(2)
C(33) C(28) C(29) C(30) 3.2(3)
C(27) C(28) C(33) N(2) -8.3(3)
C(27) C(28) C(33) C(32) 172.6(2)
C(29) C(28) C(33) N(2) 177.3(2)
C(29) C(28) C(33) C(32) -1.7(3)
C(28) C(29) C(30) C(31) -2.1(3)
C(29) C(30) C(31) C(32) -0.4(3)
C(30) C(31) C(32) C(33) 1.7(3)
C(31) C(32) C(33) N(2) -179.7(2)
C(31) C(32) C(33) C(28) -0.6(3)
N(2) C(34) C(35) C(36) 179.6(2)
C(39) C(34) C(35) C(36) 1.1(3)
N(2) C(34) C(39) C(27) -0.7(3)
N(2) C(34) C(39) C(38) 179.7(2)
C(35) C(34) C(39) C(27) 177.8(2)
C(35) C(34) C(39) C(38) -1.8(3)
C(34) C(35) C(36) C(37) 0.6(4)
C(35) C(36) C(37) C(38) -1.5(4)
C(36) C(37) C(38) C(39) 0.8(4)
C(37) C(38) C(39) C(27) -178.8(2)
C(37) C(38) C(39) C(34) 0.9(3)
C(50) C(41) C(42) C(43) 1.0(3)
C(53) C(41) C(42) C(43) 176.1(2)
C(42) C(41) C(50) C(45) -1.2(3)
C(42) C(41) C(50) C(49) 178.3(2)
C(53) C(41) C(50) C(45) -177.3(2)
C(53) C(41) C(50) C(49) 2.2(3)
C(42) C(41) C(53) C(54) -65.5(3)
C(42) C(41) C(53) C(65) 58.8(3)
C(42) C(41) C(53) C(67) 177.3(2)
C(50) C(41) C(53) C(54) 109.8(2)
C(50) C(41) C(53) C(65) -125.9(2)
C(50) C(41) C(53) C(67) -7.4(2)
C(41) C(42) C(43) C(44) -0.2(3)
C(42) C(43) C(44) C(45) -0.5(3)
C(42) C(43) C(44) C(51) 179.0(2)
C(43) C(44) C(45) C(46) -178.5(2)
C(43) C(44) C(45) C(50) 0.3(3)
C(51) C(44) C(45) C(46) 1.9(3)
C(51) C(44) C(45) C(50) -179.3(2)
C(43) C(44) C(51) C(52) 179.2(3)
C(45) C(44) C(51) C(52) -1.3(2)
C(44) C(45) C(46) C(47) 177.8(2)
C(44) C(45) C(46) C(52) -1.6(3)
C(50) C(45) C(46) C(47) -1.0(3)
C(50) C(45) C(46) C(52) 179.5(2)
C(44) C(45) C(50) C(41) 0.5(3)
C(44) C(45) C(50) C(49) -179.0(2)
C(46) C(45) C(50) C(41) 179.3(2)
C(46) C(45) C(50) C(49) -0.2(3)
C(45) C(46) C(47) C(48) 1.6(3)
C(52) C(46) C(47) C(48) -179.1(2)
C(45) C(46) C(52) C(51) 0.7(3)
C(47) C(46) C(52) C(51) -178.6(3)
C(46) C(47) C(48) C(49) -1.1(4)
C(47) C(48) C(49) C(50) -0.2(3)
C(47) C(48) C(49) C(67) 174.6(2)
C(48) C(49) C(50) C(41) -178.7(2)
C(48) C(49) C(50) C(45) 0.8(3)
C(67) C(49) C(50) C(41) 5.3(3)
C(67) C(49) C(50) C(45) -175.2(2)
C(48) C(49) C(67) C(53) 175.8(2)
C(48) C(49) C(67) C(68) -68.7(3)
C(48) C(49) C(67) C(79) 54.5(3)
C(50) C(49) C(67) C(53) -9.1(2)
C(50) C(49) C(67) C(68) 106.4(2)
C(50) C(49) C(67) C(79) -130.4(2)
C(44) C(51) C(52) C(46) 0.3(2)
C(41) C(53) C(54) C(55) -25.7(3)
C(41) C(53) C(54) C(59) 157.5(2)
C(65) C(53) C(54) C(55) -152.5(2)
C(65) C(53) C(54) C(59) 30.7(3)
C(67) C(53) C(54) C(55) 85.6(3)
C(67) C(53) C(54) C(59) -91.2(2)
C(41) C(53) C(65) C(60) -159.4(2)
C(41) C(53) C(65) C(64) 26.1(3)
C(54) C(53) C(65) C(60) -34.3(3)
C(54) C(53) C(65) C(64) 151.3(2)
C(67) C(53) C(65) C(60) 87.6(2)
C(67) C(53) C(65) C(64) -86.9(3)
C(41) C(53) C(67) C(49) 9.7(2)
C(41) C(53) C(67) C(68) -106.7(2)
C(41) C(53) C(67) C(79) 131.1(2)
C(54) C(53) C(67) C(49) -107.9(2)
C(54) C(53) C(67) C(68) 135.6(2)
C(54) C(53) C(67) C(79) 13.4(2)
C(65) C(53) C(67) C(49) 130.8(2)
C(65) C(53) C(67) C(68) 14.3(2)
C(65) C(53) C(67) C(79) -107.9(2)
C(53) C(54) C(55) C(56) -176.9(2)
C(59) C(54) C(55) C(56) -0.0(3)
C(53) C(54) C(59) N(3) -3.1(3)
C(53) C(54) C(59) C(58) 178.1(2)
C(55) C(54) C(59) N(3) -180.0(2)
C(55) C(54) C(59) C(58) 1.2(3)
C(54) C(55) C(56) C(57) -1.1(4)
C(55) C(56) C(57) C(58) 1.1(4)
C(56) C(57) C(58) C(59) 0.1(3)
C(57) C(58) C(59) N(3) 179.9(2)
C(57) C(58) C(59) C(54) -1.2(4)
N(3) C(60) C(61) C(62) 178.0(2)
C(65) C(60) C(61) C(62) -1.4(4)
N(3) C(60) C(65) C(53) 10.0(3)
N(3) C(60) C(65) C(64) -175.3(2)
C(61) C(60) C(65) C(53) -170.5(2)
C(61) C(60) C(65) C(64) 4.1(4)
C(60) C(61) C(62) C(63) -2.1(4)
C(61) C(62) C(63) C(64) 2.7(4)
C(62) C(63) C(64) C(65) 0.1(3)
C(63) C(64) C(65) C(53) 171.0(2)
C(63) C(64) C(65) C(60) -3.5(4)
C(49) C(67) C(68) C(69) -29.9(3)
C(49) C(67) C(68) C(73) 157.1(2)
C(53) C(67) C(68) C(69) 81.1(2)
C(53) C(67) C(68) C(73) -91.9(2)
C(79) C(67) C(68) C(69) -154.9(2)
C(79) C(67) C(68) C(73) 32.1(2)
C(49) C(67) C(79) C(74) -152.7(2)
C(49) C(67) C(79) C(78) 29.2(3)
C(53) C(67) C(79) C(74) 92.5(2)
C(53) C(67) C(79) C(78) -85.7(2)
C(68) C(67) C(79) C(74) -29.2(2)
C(68) C(67) C(79) C(78) 152.6(2)
C(67) C(68) C(69) C(70) -170.6(2)
C(73) C(68) C(69) C(70) 2.4(3)
C(67) C(68) C(73) N(4) -8.4(3)
C(67) C(68) C(73) C(72) 171.4(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) -1.2(3)
C(69) C(70) C(71) C(72) -0.8(4)
C(70) C(71) C(72) C(73) 1.4(4)
C(71) C(72) C(73) N(4) 179.7(2)
C(71) C(72) C(73) C(68) -0.1(2)
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) 2.9(3)
N(4) C(74) C(79) C(78) -178.9(2)
C(75) C(74) C(79) C(67) -178.1(2)
C(75) C(74) C(79) C(78) 0.1(3)
C(74) C(75) C(76) C(77) 0.0(4)
C(75) C(76) C(77) C(78) 0.1(3)
C(76) C(77) C(78) C(79) -0.2(3)
C(77) C(78) C(79) C(67) 178.2(2)
C(77) C(78) C(79) C(74) 0.0(3)
C(90) C(81) C(82) C(83) -1.4(3)
C(93) C(81) C(82) C(83) 163.9(2)
C(82) C(81) C(90) C(85) 3.1(3)
C(82) C(81) C(90) C(89) 178.5(2)
C(93) C(81) C(90) C(85) -165.9(2)
C(93) C(81) C(90) C(89) 9.5(3)
C(82) C(81) C(93) C(94) -70.4(3)
C(82) C(81) C(93) C(105) 51.8(3)
C(82) C(81) C(93) C(107) 172.7(2)
C(90) C(81) C(93) C(94) 95.9(2)
C(90) C(81) C(93) C(105) -141.9(2)
C(90) C(81) C(93) C(107) -21.0(2)
C(81) C(82) C(83) C(84) -1.3(3)
C(82) C(83) C(84) C(85) 2.3(3)
C(82) C(83) C(84) C(91) -174.1(2)
C(83) C(84) C(85) C(86) -176.3(2)
C(83) C(84) C(85) C(90) -0.6(3)
C(91) C(84) C(85) C(86) 1.1(3)
C(91) C(84) C(85) C(90) 176.8(2)
C(83) C(84) C(91) C(92) 175.1(2)
C(85) C(84) C(91) C(92) -1.6(2)
C(84) C(85) C(86) C(87) 176.9(2)
C(84) C(85) C(86) C(92) -0.0(2)
C(90) C(85) C(86) C(87) 1.2(3)
C(90) C(85) C(86) C(92) -175.7(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) 173.3(2)
C(86) C(85) C(90) C(89) -1.9(3)
C(85) C(86) C(87) C(88) 0.8(3)
C(92) C(86) C(87) C(88) 176.5(2)
C(85) C(86) C(92) C(91) -1.0(2)
C(87) C(86) C(92) C(91) -177.0(3)
C(86) C(87) C(88) C(89) -2.1(3)
C(87) C(88) C(89) C(90) 1.4(3)
C(87) C(88) C(89) C(107) 176.6(2)
C(88) C(89) C(90) C(81) -174.8(2)
C(88) C(89) C(90) C(85) 0.5(3)
C(107) C(89) C(90) C(81) 8.7(3)
C(107) C(89) C(90) C(85) -175.9(2)
C(88) C(89) C(107) C(93) 164.0(2)
C(88) C(89) C(107) C(108) -82.8(3)
C(88) C(89) C(107) C(119) 41.2(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) -143.3(2)
C(84) C(91) C(92) C(86) 1.6(2)
C(81) C(93) C(94) C(95) -19.1(3)
C(81) C(93) C(94) C(99) 159.5(2)
C(105) C(93) C(94) C(95) -145.4(2)
C(105) C(93) C(94) C(99) 33.2(2)
C(107) C(93) C(94) C(95) 91.1(2)
C(107) C(93) C(94) C(99) -90.3(2)
C(81) C(93) C(105) C(100) -155.5(2)
C(81) C(93) C(105) C(104) 27.3(3)
C(94) C(93) C(105) C(100) -33.6(2)
C(94) C(93) C(105) C(104) 149.2(2)
C(107) C(93) C(105) C(100) 89.5(2)
C(107) C(93) C(105) C(104) -87.7(2)
C(81) C(93) C(107) C(89) 24.7(2)
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) -89.9(2)
C(94) C(93) C(107) C(108) 154.4(2)
C(94) C(93) C(107) C(119) 34.1(3)
C(105) C(93) C(107) C(89) 148.4(2)
C(105) C(93) C(107) C(108) 32.7(2)
C(105) C(93) C(107) C(119) -87.6(2)
C(93) C(94) C(95) C(96) 179.5(2)
C(99) C(94) C(95) C(96) 0.9(3)
C(93) C(94) C(99) N(5) -3.1(3)
C(93) C(94) C(99) C(98) 178.9(2)
C(95) C(94) C(99) N(5) 175.6(2)
C(95) C(94) C(99) C(98) -2.5(3)
C(94) C(95) C(96) C(97) 0.9(3)
C(95) C(96) C(97) C(98) -1.2(3)
C(96) C(97) C(98) C(99) -0.3(3)
C(97) C(98) C(99) N(5) -175.8(2)
C(97) C(98) C(99) C(94) 2.2(3)
N(5) C(100) C(101) C(102) 178.6(2)
C(105) C(100) C(101) C(102) 0.2(3)
N(5) C(100) C(105) C(93) 4.0(3)
N(5) C(100) C(105) C(104) -178.7(2)
C(101) C(100) C(105) C(93) -177.6(2)
C(101) C(100) C(105) C(104) -0.3(3)
C(100) C(101) C(102) C(103) 0.5(3)
C(101) C(102) C(103) C(104) -1.2(3)
C(102) C(103) C(104) C(105) 1.2(3)
C(103) C(104) C(105) C(93) 176.8(2)
C(103) C(104) C(105) C(100) -0.4(3)
C(89) C(107) C(108) C(109) -22.1(3)
C(89) C(107) C(108) C(113) 162.5(2)
C(93) C(107) C(108) C(109) 86.8(3)
C(93) C(107) C(108) C(113) -88.5(2)
C(119) C(107) C(108) C(109) -149.7(2)
C(119) C(107) C(108) C(113) 34.9(3)
C(89) C(107) C(119) C(114) -156.7(2)
C(89) C(107) C(119) C(118) 24.3(3)
C(93) C(107) C(119) C(114) 87.7(3)
C(93) C(107) C(119) C(118) -91.3(3)
C(108) C(107) C(119) C(114) -31.8(3)
C(108) C(107) C(119) C(118) 149.2(2)
C(107) C(108) C(109) C(110) -172.8(2)
C(113) C(108) C(109) C(110) 2.6(3)
C(107) C(108) C(113) N(6) -9.3(3)
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) -3.8(3)
C(108) C(109) C(110) C(111) 0.5(3)
C(109) C(110) C(111) C(112) -2.6(4)
C(110) C(111) C(112) C(113) 1.4(3)
C(111) C(112) C(113) N(6) -177.1(2)
C(111) C(112) C(113) C(108) 1.9(3)
N(6) C(114) C(115) C(116) 179.0(2)
C(119) C(114) C(115) C(116) 0.2(4)
N(6) C(114) C(119) C(107) 3.1(3)
N(6) C(114) C(119) C(118) -177.9(2)
C(115) C(114) C(119) C(107) -178.1(2)
C(115) C(114) C(119) C(118) 1.0(3)
C(114) C(115) C(116) C(117) -0.9(4)
C(115) C(116) C(117) C(118) 0.4(4)
C(116) C(117) C(118) C(119) 0.9(4)
C(117) C(118) C(119) C(107) 177.5(2)
C(117) C(118) C(119) C(114) -1.5(4)
C(130) C(121) C(122) C(123) -1.5(3)
C(133) C(121) C(122) C(123) 164.4(2)
C(122) C(121) C(130) C(125) 3.1(3)
C(122) C(121) C(130) C(129) 178.5(2)
C(133) C(121) C(130) C(125) -166.3(2)
C(133) C(121) C(130) C(129) 9.1(3)
C(122) C(121) C(133) C(134) 52.3(3)
C(122) C(121) C(133) C(145) -70.3(3)
C(122) C(121) C(133) C(147) 173.1(2)
C(130) C(121) C(133) C(134) -140.7(2)
C(130) C(121) C(133) C(145) 96.6(2)
C(130) C(121) C(133) C(147) -19.9(2)
C(121) C(122) C(123) C(124) -1.0(3)
C(122) C(123) C(124) C(125) 1.8(3)
C(122) C(123) C(124) C(131) -174.6(2)
C(123) C(124) C(125) C(126) -176.0(2)
C(123) C(124) C(125) C(130) -0.2(3)
C(131) C(124) C(125) C(126) 1.4(3)
C(131) C(124) C(125) C(130) 177.1(2)
C(123) C(124) C(131) C(132) 174.7(2)
C(125) C(124) C(131) C(132) -2.0(2)
C(124) C(125) C(126) C(127) 177.5(2)
C(124) C(125) C(126) C(132) -0.2(3)
C(130) C(125) C(126) C(127) 1.7(3)
C(130) C(125) C(126) C(132) -175.9(2)
C(124) C(125) C(130) C(121) -2.3(3)
C(124) C(125) C(130) C(129) -177.5(2)
C(126) C(125) C(130) C(121) 173.2(2)
C(126) C(125) C(130) C(129) -2.0(3)
C(125) C(126) C(127) C(128) 0.2(3)
C(132) C(126) C(127) C(128) 177.0(2)
C(125) C(126) C(132) C(131) -1.1(2)
C(127) C(126) C(132) C(131) -178.1(3)
C(126) C(127) C(128) C(129) -2.1(3)
C(127) C(128) C(129) C(130) 1.9(3)
C(127) C(128) C(129) C(147) 177.3(2)
C(128) C(129) C(130) C(121) -175.3(2)
C(128) C(129) C(130) C(125) 0.1(3)
C(147) C(129) C(130) C(121) 8.2(3)
C(147) C(129) C(130) C(125) -176.5(2)
C(128) C(129) C(147) C(133) 165.1(2)
C(128) C(129) C(147) C(148) 43.9(3)
C(128) C(129) C(147) C(159) -81.4(3)
C(130) C(129) C(147) C(133) -19.2(2)
C(130) C(129) C(147) C(148) -140.4(2)
C(130) C(129) C(147) C(159) 94.3(2)
C(124) C(131) C(132) C(126) 1.9(2)
C(121) C(133) C(134) C(135) 27.4(3)
C(121) C(133) C(134) C(139) -156.4(2)
C(145) C(133) C(134) C(135) 149.4(2)
C(145) C(133) C(134) C(139) -34.4(2)
C(147) C(133) C(134) C(135) -88.1(2)
C(147) C(133) C(134) C(139) 88.1(2)
C(121) C(133) C(145) C(140) 160.9(2)
C(121) C(133) C(145) C(144) -20.7(3)
C(134) C(133) C(145) C(140) 34.4(2)
C(134) C(133) C(145) C(144) -147.2(2)
C(147) C(133) C(145) C(140) -88.6(2)
C(147) C(133) C(145) C(144) 89.8(2)
C(121) C(133) C(147) C(129) 23.4(2)
C(121) C(133) C(147) C(148) 146.5(2)
C(121) C(133) C(147) C(159) -92.7(2)
C(134) C(133) C(147) C(129) 147.2(2)
C(134) C(133) C(147) C(148) -89.6(2)
C(134) C(133) C(147) C(159) 31.1(2)
C(145) C(133) C(147) C(129) -91.2(2)
C(145) C(133) C(147) C(148) 32.0(3)
C(145) C(133) C(147) C(159) 152.8(2)
C(133) C(134) C(135) C(136) 175.4(2)
C(139) C(134) C(135) C(136) -0.8(3)
C(133) C(134) C(139) N(7) 5.9(3)
C(133) C(134) C(139) C(138) -175.3(2)
C(135) C(134) C(139) N(7) -177.8(2)
C(135) C(134) C(139) C(138) 1.0(3)
C(134) C(135) C(136) C(137) 0.5(3)
C(135) C(136) C(137) C(138) -0.4(3)
C(136) C(137) C(138) C(139) 0.6(3)
C(137) C(138) C(139) N(7) 177.9(2)
C(137) C(138) C(139) C(134) -0.9(3)
N(7) C(140) C(141) C(142) -176.8(2)
C(145) C(140) C(141) C(142) 1.3(3)
N(7) C(140) C(145) C(133) -5.6(3)
N(7) C(140) C(145) C(144) 175.9(2)
C(141) C(140) C(145) C(133) 176.2(2)
C(141) C(140) C(145) C(144) -2.3(3)
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) -177.1(2)
C(143) C(144) C(145) C(140) 1.3(3)
C(129) C(147) C(148) C(149) 26.5(3)
C(129) C(147) C(148) C(153) -155.6(2)
C(133) C(147) C(148) C(149) -88.0(3)
C(133) C(147) C(148) C(153) 89.9(2)
C(159) C(147) C(148) C(149) 152.4(2)
C(159) C(147) C(148) C(153) -29.7(3)
C(129) C(147) C(159) C(154) 161.2(2)
C(129) C(147) C(159) C(158) -25.0(3)
C(133) C(147) C(159) C(154) -89.7(2)
C(133) C(147) C(159) C(158) 84.1(3)
C(148) C(147) C(159) C(154) 32.9(3)
C(148) C(147) C(159) C(158) -153.4(2)
C(147) C(148) C(149) C(150) 175.6(2)
C(153) C(148) C(149) C(150) -2.4(4)
C(147) C(148) C(153) N(8) 3.2(3)
C(147) C(148) C(153) C(152) -175.8(2)
C(149) C(148) C(153) N(8) -178.8(2)
C(149) C(148) C(153) C(152) 2.2(3)
C(148) C(149) C(150) C(151) 0.9(4)
C(149) C(150) C(151) C(152) 0.9(4)
C(150) C(151) C(152) C(153) -1.1(4)
C(151) C(152) C(153) N(8) -179.4(2)
C(151) C(152) C(153) C(148) -0.5(4)
N(8) C(154) C(155) C(156) -178.6(2)
C(159) C(154) C(155) C(156) 1.5(3)
N(8) C(154) C(159) C(147) -9.7(3)
N(8) C(154) C(159) C(158) 176.3(2)
C(155) C(154) C(159) C(147) 170.2(2)
C(155) C(154) C(159) C(158) -3.8(3)
C(154) C(155) C(156) C(157) 1.4(4)
C(155) C(156) C(157) C(158) -1.9(3)
C(156) C(157) C(158) C(159) -0.5(3)
C(157) C(158) C(159) C(147) -170.5(2)
C(157) C(158) C(159) C(154) 3.3(3)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139145728
