#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:51:57 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180279 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/65/7116583.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_7116583
loop_
_publ_author_name
'Takashi Kubo'
'Shogo Miyazaki'
'Takuya Kodama'
'Mitsuya Aoba'
'Yasukazu Hirao'
'Hiroyuki Kurata'
_publ_section_title
;
 A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension
 and the formation of a two-dimensional honeycomb molecular assembly
;
_journal_name_full               Chem.Commun.
_journal_page_first              3801
_journal_paper_doi               10.1039/C4cc09883H
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C162 H48 S4'
_chemical_formula_weight         2122.24
_chemical_name_systematic        FAP-C60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-04 deposited with the CCDC.
2015-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                100.7181(9)
_cell_angle_beta                 96.6104(10)
_cell_angle_gamma                91.6599(8)
_cell_formula_units_Z            3
_cell_length_a                   16.8833(5)
_cell_length_b                   18.4991(6)
_cell_length_c                   23.1447(8)
_cell_measurement_reflns_used    39058
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      54.95
_cell_measurement_theta_min      6.07
_cell_volume                     7046.0(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0717
_diffrn_reflns_av_sigmaI/netI    0.1165
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            69876
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    0.171
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3252
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: carbon disulfide'
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.816
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2242
_refine_ls_number_reflns         31945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.1290
_refine_ls_R_factor_gt           0.0692
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0936P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1619
_refine_ls_wR_factor_ref         0.1880
_reflns_number_gt                16412
_reflns_number_total             31945
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc09883h2.cif
_cod_data_source_block           xsm3x05
_cod_database_code               7116583
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
C1 C 0.34276(14) 0.73922(13) -0.03568(11) 0.0206(6) Uani 1 1 d .
C2 C 0.35777(14) 0.75951(13) 0.03901(11) 0.0207(6) Uani 1 1 d .
C3 C 0.27971(14) 0.73398(13) 0.05760(11) 0.0209(6) Uani 1 1 d .
C4 C 0.25266(15) 0.73144(13) 0.11094(12) 0.0249(6) Uani 1 1 d .
H1 H 0.2865 0.7500 0.1467 0.030 Uiso 1 1 calc R
C5 C 0.17426(15) 0.70123(13) 0.11370(12) 0.0255(6) Uani 1 1 d .
H2 H 0.1563 0.7008 0.1511 0.031 Uiso 1 1 calc R
C6 C 0.12472(14) 0.67268(13) 0.06206(13) 0.0246(6) Uani 1 1 d .
C7 C 0.04391(15) 0.63569(14) 0.04403(13) 0.0278(6) Uani 1 1 d .
C8 C -0.01344(16) 0.61669(15) 0.07712(15) 0.0352(7) Uani 1 1 d .
H3 H -0.0051 0.6286 0.1192 0.042 Uiso 1 1 calc R
C9 C -0.08445(17) 0.57943(16) 0.04750(16) 0.0421(8) Uani 1 1 d .
H4 H -0.1245 0.5660 0.0698 0.050 Uiso 1 1 calc R
C10 C -0.09704(17) 0.56173(16) -0.01443(16) 0.0399(8) Uani 1 1 d .
H5 H -0.1450 0.5356 -0.0337 0.048 Uiso 1 1 calc R
C11 C -0.04025(16) 0.58192(15) -0.04768(15) 0.0354(7) Uani 1 1 d .
H6 H -0.0496 0.5709 -0.0897 0.042 Uiso 1 1 calc R
C12 C 0.03085(15) 0.61855(14) -0.01919(13) 0.0288(7) Uani 1 1 d .
C13 C 0.10189(15) 0.64463(13) -0.04308(13) 0.0251(6) Uani 1 1 d .
C14 C 0.12946(15) 0.64613(13) -0.09677(13) 0.0279(7) Uani 1 1 d .
H7 H 0.0963 0.6257 -0.1324 0.033 Uiso 1 1 calc R
C15 C 0.20689(15) 0.67770(13) -0.10002(12) 0.0242(6) Uani 1 1 d .
H8 H 0.2244 0.6779 -0.1376 0.029 Uiso 1 1 calc R
C16 C 0.25625(14) 0.70788(13) -0.04891(12) 0.0210(6) Uani 1 1 d .
C17 C 0.22808(14) 0.70635(13) 0.00551(12) 0.0219(6) Uani 1 1 d .
C18 C 0.15352(15) 0.67611(13) 0.00829(12) 0.0236(6) Uani 1 1 d .
C19 C 0.37423(14) 0.84244(13) 0.05278(12) 0.0212(6) Uani 1 1 d .
C20 C 0.38566(14) 0.89503(13) 0.10416(12) 0.0223(6) Uani 1 1 d .
H9 H 0.3842 0.8804 0.1413 0.027 Uiso 1 1 calc R
C21 C 0.39959(14) 0.97111(13) 0.10250(12) 0.0240(6) Uani 1 1 d .
H10 H 0.4081 1.0064 0.1384 0.029 Uiso 1 1 calc R
C22 C 0.40076(14) 0.99369(13) 0.04905(12) 0.0216(6) Uani 1 1 d .
C23 C 0.40871(14) 1.06342(13) 0.02701(12) 0.0232(6) Uani 1 1 d .
C24 C 0.42094(15) 1.13550(14) 0.05694(13) 0.0270(6) Uani 1 1 d .
H11 H 0.4285 1.1462 0.0990 0.032 Uiso 1 1 calc R
C25 C 0.42208(15) 1.19202(14) 0.02525(13) 0.0295(7) Uani 1 1 d .
H12 H 0.4296 1.2417 0.0457 0.035 Uiso 1 1 calc R
C26 C 0.41218(16) 1.17620(14) -0.03638(13) 0.0302(7) Uani 1 1 d .
H13 H 0.4126 1.2154 -0.0576 0.036 Uiso 1 1 calc R
C27 C 0.40166(15) 1.10380(14) -0.06744(13) 0.0271(6) Uani 1 1 d .
H14 H 0.3954 1.0937 -0.1095 0.033 Uiso 1 1 calc R
C28 C 0.40049(14) 1.04660(13) -0.03633(12) 0.0223(6) Uani 1 1 d .
C29 C 0.38783(13) 0.96521(13) -0.05599(12) 0.0213(6) Uani 1 1 d .
C30 C 0.37552(14) 0.91382(13) -0.10767(12) 0.0221(6) Uani 1 1 d .
H15 H 0.3769 0.9290 -0.1446 0.026 Uiso 1 1 calc R
C31 C 0.36055(14) 0.83709(13) -0.10641(12) 0.0224(6) Uani 1 1 d .
H16 H 0.3516 0.8024 -0.1426 0.027 Uiso 1 1 calc R
C32 C 0.35896(14) 0.81316(13) -0.05376(11) 0.0205(6) Uani 1 1 d .
C33 C 0.37503(14) 0.86632(13) -0.00134(11) 0.0194(5) Uani 1 1 d .
C34 C 0.38871(13) 0.93876(13) -0.00287(12) 0.0208(6) Uani 1 1 d .
C35 C 0.42830(14) 0.71270(13) 0.05378(12) 0.0216(6) Uani 1 1 d .
C36 C 0.47387(14) 0.70519(13) 0.10586(12) 0.0234(6) Uani 1 1 d .
H17 H 0.4634 0.7337 0.1425 0.028 Uiso 1 1 calc R
C37 C 0.53693(14) 0.65452(14) 0.10478(12) 0.0260(6) Uani 1 1 d .
H18 H 0.5673 0.6495 0.1409 0.031 Uiso 1 1 calc R
C38 C 0.55405(14) 0.61298(13) 0.05190(12) 0.0219(6) Uani 1 1 d .
C39 C 0.61130(14) 0.55811(13) 0.03053(12) 0.0239(6) Uani 1 1 d .
C40 C 0.67349(14) 0.52637(13) 0.06005(13) 0.0263(6) Uani 1 1 d .
H19 H 0.6846 0.5387 0.1020 0.032 Uiso 1 1 calc R
C41 C 0.71898(15) 0.47666(14) 0.02760(14) 0.0291(7) Uani 1 1 d .
H20 H 0.7617 0.4551 0.0476 0.035 Uiso 1 1 calc R
C42 C 0.70321(15) 0.45767(14) -0.03384(13) 0.0288(6) Uani 1 1 d .
H21 H 0.7350 0.4232 -0.0552 0.035 Uiso 1 1 calc R
C43 C 0.64103(15) 0.48882(13) -0.06430(13) 0.0261(6) Uani 1 1 d .
H22 H 0.6303 0.4759 -0.1062 0.031 Uiso 1 1 calc R
C44 C 0.59554(14) 0.53856(13) -0.03256(12) 0.0228(6) Uani 1 1 d .
C45 C 0.52765(14) 0.58158(13) -0.05227(12) 0.0219(6) Uani 1 1 d .
C46 C 0.48430(15) 0.58949(13) -0.10519(12) 0.0247(6) Uani 1 1 d .
H23 H 0.4958 0.5612 -0.1416 0.030 Uiso 1 1 calc R
C47 C 0.42158(14) 0.64092(13) -0.10457(12) 0.0231(6) Uani 1 1 d .
H24 H 0.3926 0.6469 -0.1409 0.028 Uiso 1 1 calc R
C48 C 0.40304(14) 0.68145(13) -0.05222(12) 0.0211(6) Uani 1 1 d .
C49 C 0.44682(14) 0.67142(13) 0.00090(12) 0.0215(6) Uani 1 1 d .
C50 C 0.50703(14) 0.62305(13) 0.00003(12) 0.0212(6) Uani 1 1 d .
C51 C 0.16683(16) 1.10775(15) 0.08297(13) 0.0319(7) Uani 1 1 d .
C52 C 0.18217(15) 1.03540(16) 0.09596(13) 0.0307(7) Uani 1 1 d .
C53 C 0.20712(15) 0.99038(16) 0.04359(13) 0.0324(7) Uani 1 1 d .
C54 C 0.20734(15) 1.03360(16) -0.00185(14) 0.0325(7) Uani 1 1 d .
C55 C 0.18242(15) 1.10716(16) 0.02183(13) 0.0334(7) Uani 1 1 d .
C56 C 0.13425(17) 1.14504(15) -0.01352(14) 0.0348(7) Uani 1 1 d .
C57 C 0.06875(18) 1.18493(14) 0.00915(14) 0.0333(7) Uani 1 1 d .
C58 C 0.05334(18) 1.18584(14) 0.06686(13) 0.0331(7) Uani 1 1 d .
C59 C 0.10387(17) 1.14618(14) 0.10471(13) 0.0299(7) Uani 1 1 d .
C60 C 0.05275(16) 1.11432(14) 0.14082(12) 0.0274(6) Uani 1 1 d .
C61 C 0.06756(15) 1.04517(14) 0.15343(12) 0.0260(6) Uani 1 1 d .
C62 C 0.13400(15) 1.00525(15) 0.13098(12) 0.0281(6) Uani 1 1 d .
C63 C 0.10797(17) 0.92743(15) 0.11492(13) 0.0328(7) Uani 1 1 d .
C64 C 0.13214(17) 0.88425(15) 0.06490(14) 0.0336(7) Uani 1 1 d .
C65 C 0.18279(16) 0.91626(16) 0.02938(13) 0.0324(7) Uani 1 1 d .
C66 C 0.15742(16) 0.88276(16) -0.03300(14) 0.0353(7) Uani 1 1 d .
C67 C 0.15802(15) 0.92496(16) -0.07617(13) 0.0321(7) Uani 1 1 d .
C68 C 0.18367(16) 1.00146(17) -0.06061(14) 0.0347(7) Uani 1 1 d .
C69 C 0.13247(16) 1.04206(17) -0.09790(13) 0.0334(7) Uani 1 1 d .
C70 C 0.10880(17) 1.11114(15) -0.07539(13) 0.0336(7) Uani 1 1 d .
C71 C 0.00157(15) 0.99227(15) 0.15161(12) 0.0266(6) Uani 1 1 d .
C72 C 0.02582(16) 0.91951(14) 0.12802(12) 0.0294(7) Uani 1 1 d .
C73 C 0.07534(17) 0.83107(14) 0.02602(14) 0.0342(7) Uani 1 1 d .
C74 C 0.09144(17) 0.83035(15) -0.03447(14) 0.0343(7) Uani 1 1 d .
C75 C 0.02850(18) 0.82196(14) -0.07978(13) 0.0328(7) Uani 1 1 d .
C76 C 0.02875(17) 0.86678(14) -0.12540(13) 0.0303(7) Uani 1 1 d .
C77 C 0.09175(16) 0.91677(15) -0.12406(13) 0.0304(6) Uani 1 1 d .
C78 C 0.07645(16) 0.98812(15) -0.13740(12) 0.0277(6) Uani 1 1 d .
C79 C 0.02812(17) 1.13100(15) -0.09014(13) 0.0333(7) Uani 1 1 d .
C80 C 0.00259(19) 1.17639(14) -0.03810(14) 0.0353(8) Uani 1 1 d .
C81 C 0.24460(19) 0.29714(17) -0.0191(2) 0.0584(12) Uani 1 1 d .
S1 S 0.26008(6) 0.31857(5) 0.05000(6) 0.0761(4) Uani 1 1 d .
S2 S 0.22860(6) 0.27464(6) -0.08663(6) 0.0738(4) Uani 1 1 d .
C82 C 0.74880(14) 1.01658(13) 0.30688(11) 0.0205(6) Uani 1 1 d .
C83 C 0.76696(14) 1.03106(13) 0.38150(11) 0.0204(6) Uani 1 1 d .
C84 C 0.78431(14) 1.11458(13) 0.39883(12) 0.0216(6) Uani 1 1 d .
C85 C 0.79911(14) 1.16443(13) 0.45184(12) 0.0249(6) Uani 1 1 d .
H25 H 0.7999 1.1474 0.4882 0.030 Uiso 1 1 calc R
C86 C 0.81330(14) 1.24110(14) 0.45270(12) 0.0260(6) Uani 1 1 d .
H26 H 0.8233 1.2744 0.4896 0.031 Uiso 1 1 calc R
C87 C 0.81269(14) 1.26753(13) 0.40060(12) 0.0229(6) Uani 1 1 d .
C88 C 0.82186(15) 1.33941(13) 0.38064(12) 0.0256(6) Uani 1 1 d .
C89 C 0.83571(15) 1.41061(14) 0.41162(14) 0.0313(7) Uani 1 1 d .
H27 H 0.8424 1.4201 0.4537 0.038 Uiso 1 1 calc R
C90 C 0.83995(16) 1.46884(15) 0.38137(14) 0.0346(7) Uani 1 1 d .
H28 H 0.8493 1.5180 0.4028 0.041 Uiso 1 1 calc R
C91 C 0.83043(16) 1.45458(15) 0.31919(14) 0.0335(7) Uani 1 1 d .
H29 H 0.8334 1.4944 0.2987 0.040 Uiso 1 1 calc R
C92 C 0.81683(15) 1.38341(14) 0.28717(14) 0.0307(7) Uani 1 1 d .
H30 H 0.8104 1.3744 0.2451 0.037 Uiso 1 1 calc R
C93 C 0.81277(14) 1.32528(14) 0.31737(12) 0.0249(6) Uani 1 1 d .
C94 C 0.79828(14) 1.24478(14) 0.29569(12) 0.0231(6) Uani 1 1 d .
C95 C 0.78445(14) 1.19601(13) 0.24222(12) 0.0238(6) Uani 1 1 d .
H31 H 0.7859 1.2134 0.2062 0.029 Uiso 1 1 calc R
C96 C 0.76769(14) 1.11854(13) 0.24071(12) 0.0226(6) Uani 1 1 d .
H32 H 0.7579 1.0855 0.2037 0.027 Uiso 1 1 calc R
C97 C 0.76583(14) 1.09227(13) 0.29234(12) 0.0211(6) Uani 1 1 d .
C98 C 0.78342(14) 1.14218(13) 0.34646(11) 0.0204(6) Uani 1 1 d .
C99 C 0.83832(14) 0.98380(13) 0.39196(12) 0.0205(6) Uani 1 1 d .
C100 C 0.88592(14) 0.97089(14) 0.44147(12) 0.0246(6) Uani 1 1 d .
H33 H 0.8767 0.9955 0.4797 0.030 Uiso 1 1 calc R
C101 C 0.94947(14) 0.92035(13) 0.43559(12) 0.0250(6) Uani 1 1 d .
H34 H 0.9817 0.9124 0.4701 0.030 Uiso 1 1 calc R
C102 C 0.96405(14) 0.88317(13) 0.38024(12) 0.0229(6) Uani 1 1 d .
C103 C 1.01929(14) 0.82945(13) 0.35367(12) 0.0243(6) Uani 1 1 d .
C104 C 1.08354(14) 0.79579(13) 0.37884(13) 0.0272(6) Uani 1 1 d .
H35 H 1.0981 0.8059 0.4205 0.033 Uiso 1 1 calc R
C105 C 1.12585(16) 0.74770(14) 0.34283(14) 0.0310(7) Uani 1 1 d .
H36 H 1.1698 0.7247 0.3601 0.037 Uiso 1 1 calc R
C106 C 1.10554(15) 0.73204(14) 0.28162(13) 0.0301(7) Uani 1 1 d .
H37 H 1.1356 0.6985 0.2578 0.036 Uiso 1 1 calc R
C107 C 1.04132(15) 0.76525(14) 0.25483(13) 0.0281(6) Uani 1 1 d .
H38 H 1.0274 0.7547 0.2131 0.034 Uiso 1 1 calc R
C108 C 0.99877(15) 0.81363(13) 0.29063(12) 0.0254(6) Uani 1 1 d .
C109 C 0.93022(14) 0.85840(13) 0.27616(12) 0.0230(6) Uani 1 1 d .
C110 C 0.88291(15) 0.86962(13) 0.22625(12) 0.0255(6) Uani 1 1 d .
H39 H 0.8916 0.8434 0.1883 0.031 Uiso 1 1 calc R
C111 C 0.82035(14) 0.92094(13) 0.23137(12) 0.0230(6) Uani 1 1 d .
H40 H 0.7882 0.9284 0.1967 0.028 Uiso 1 1 calc R
C112 C 0.80673(14) 0.95934(13) 0.28604(12) 0.0209(6) Uani 1 1 d .
C113 C 0.85405(14) 0.94615(13) 0.33661(11) 0.0214(6) Uani 1 1 d .
C114 C 0.91425(14) 0.89748(13) 0.33085(12) 0.0230(6) Uani 1 1 d .
C115 C 0.68996(14) 1.00386(13) 0.40027(11) 0.0205(6) Uani 1 1 d .
C116 C 0.66464(14) 0.99517(13) 0.45341(12) 0.0229(6) Uani 1 1 d .
H41 H 0.6996 1.0105 0.4891 0.027 Uiso 1 1 calc R
C117 C 0.58663(14) 0.96356(13) 0.45596(12) 0.0235(6) Uani 1 1 d .
H42 H 0.5706 0.9587 0.4931 0.028 Uiso 1 1 calc R
C118 C 0.53472(14) 0.94014(13) 0.40456(12) 0.0220(6) Uani 1 1 d .
C119 C 0.45359(14) 0.90386(13) 0.38611(13) 0.0251(6) Uani 1 1 d .
C120 C 0.39784(15) 0.87961(14) 0.41847(14) 0.0308(7) Uani 1 1 d .
H43 H 0.4082 0.8861 0.4604 0.037 Uiso 1 1 calc R
C121 C 0.32612(16) 0.84545(15) 0.38864(14) 0.0346(7) Uani 1 1 d .
H44 H 0.2873 0.8288 0.4105 0.042 Uiso 1 1 calc R
C122 C 0.31077(16) 0.83539(16) 0.32714(15) 0.0369(8) Uani 1 1 d .
H45 H 0.2617 0.8117 0.3076 0.044 Uiso 1 1 calc R
C123 C 0.36590(15) 0.85945(15) 0.29400(14) 0.0324(7) Uani 1 1 d .
H46 H 0.3549 0.8526 0.2521 0.039 Uiso 1 1 calc R
C124 C 0.43781(15) 0.89395(13) 0.32325(13) 0.0260(6) Uani 1 1 d .
C125 C 0.50766(14) 0.92328(13) 0.29972(12) 0.0233(6) Uani 1 1 d .
C126 C 0.53246(15) 0.93026(13) 0.24642(12) 0.0252(6) Uani 1 1 d .
H47 H 0.4979 0.9132 0.2108 0.030 Uiso 1 1 calc R
C127 C 0.60959(15) 0.96276(13) 0.24377(12) 0.0236(6) Uani 1 1 d .
H48 H 0.6252 0.9676 0.2065 0.028 Uiso 1 1 calc R
C128 C 0.66153(14) 0.98715(12) 0.29444(11) 0.0202(6) Uani 1 1 d .
C129 C 0.63590(14) 0.98096(13) 0.34867(11) 0.0206(6) Uani 1 1 d .
C130 C 0.56166(14) 0.95016(13) 0.35132(12) 0.0225(6) Uani 1 1 d .
C131 C 0.05595(14) 0.51363(13) 0.28194(12) 0.0228(6) Uani 1 1 d .
C132 C 0.07402(15) 0.53984(13) 0.35670(12) 0.0241(6) Uani 1 1 d .
C133 C 0.01372(15) 0.59763(14) 0.37151(13) 0.0268(6) Uani 1 1 d .
C134 C -0.00196(16) 0.64183(14) 0.42265(14) 0.0309(7) Uani 1 1 d .
H49 H 0.0305 0.6404 0.4587 0.037 Uiso 1 1 calc R
C135 C -0.06698(16) 0.69066(14) 0.42274(14) 0.0330(7) Uani 1 1 d .
H50 H -0.0765 0.7214 0.4587 0.040 Uiso 1 1 calc R
C136 C -0.11504(15) 0.69323(14) 0.37162(14) 0.0302(7) Uani 1 1 d .
C137 C -0.18481(16) 0.73265(15) 0.35151(15) 0.0347(7) Uani 1 1 d .
C138 C -0.23034(17) 0.78321(15) 0.38452(17) 0.0421(8) Uani 1 1 d .
H51 H -0.2183 0.7975 0.4263 0.050 Uiso 1 1 calc R
C139 C -0.29379(18) 0.81156(16) 0.35374(17) 0.0451(9) Uani 1 1 d .
H52 H -0.3260 0.8457 0.3750 0.054 Uiso 1 1 calc R
C140 C -0.31143(17) 0.79100(16) 0.29196(18) 0.0450(9) Uani 1 1 d .
H53 H -0.3542 0.8128 0.2722 0.054 Uiso 1 1 calc R
C141 C -0.26779(16) 0.73955(16) 0.25903(16) 0.0399(8) Uani 1 1 d .
H54 H -0.2810 0.7250 0.2174 0.048 Uiso 1 1 calc R
C142 C -0.20388(16) 0.70978(15) 0.28895(15) 0.0366(8) Uani 1 1 d .
C143 C -0.14606(15) 0.65418(15) 0.26721(14) 0.0313(7) Uani 1 1 d .
C144 C -0.13050(15) 0.61051(15) 0.21544(14) 0.0326(7) Uani 1 1 d .
H55 H -0.1632 0.6125 0.1796 0.039 Uiso 1 1 calc R
C145 C -0.06494(15) 0.56134(14) 0.21449(13) 0.0303(7) Uani 1 1 d .
H56 H -0.0552 0.5316 0.1781 0.036 Uiso 1 1 calc R
C146 C -0.01688(14) 0.55746(13) 0.26582(13) 0.0257(6) Uani 1 1 d .
C147 C -0.03412(15) 0.60199(14) 0.31824(13) 0.0269(6) Uani 1 1 d .
C148 C -0.09616(15) 0.64846(14) 0.31870(14) 0.0300(7) Uani 1 1 d .
C149 C 0.05917(15) 0.46911(14) 0.37915(12) 0.0253(6) Uani 1 1 d .
C150 C 0.06654(14) 0.44954(14) 0.43413(12) 0.0258(6) Uani 1 1 d .
H57 H 0.0810 0.4863 0.4686 0.031 Uiso 1 1 calc R
C151 C 0.05286(15) 0.37502(14) 0.44005(13) 0.0282(6) Uani 1 1 d .
H58 H 0.0600 0.3627 0.4783 0.034 Uiso 1 1 calc R
C152 C 0.02945(14) 0.32063(14) 0.39128(12) 0.0246(6) Uani 1 1 d .
C153 C 0.01515(14) 0.23876(14) 0.37691(12) 0.0255(6) Uani 1 1 d .
C154 C 0.01442(14) 0.18638(14) 0.41265(12) 0.0256(6) Uani 1 1 d .
H59 H 0.0229 0.2005 0.4546 0.031 Uiso 1 1 calc R
C155 C 0.00091(16) 0.11216(15) 0.38542(14) 0.0349(7) Uani 1 1 d .
H60 H 0.0005 0.0757 0.4094 0.042 Uiso 1 1 calc R
C156 C -0.01215(15) 0.09022(14) 0.32317(14) 0.0326(7) Uani 1 1 d .
H61 H -0.0208 0.0396 0.3055 0.039 Uiso 1 1 calc R
C157 C -0.01222(15) 0.14250(14) 0.28856(13) 0.0282(6) Uani 1 1 d .
H62 H -0.0219 0.1280 0.2467 0.034 Uiso 1 1 calc R
C158 C 0.00170(14) 0.21669(13) 0.31379(12) 0.0240(6) Uani 1 1 d .
C159 C 0.00767(14) 0.28272(13) 0.28630(12) 0.0245(6) Uani 1 1 d .
C160 C 0.00989(14) 0.29965(14) 0.23179(12) 0.0254(6) Uani 1 1 d .
H63 H 0.0011 0.2615 0.1977 0.030 Uiso 1 1 calc R
C161 C 0.02527(14) 0.37433(14) 0.22492(12) 0.0257(6) Uani 1 1 d .
H64 H 0.0267 0.3846 0.1863 0.031 Uiso 1 1 calc R
C162 C 0.03797(14) 0.43087(13) 0.27308(12) 0.0230(6) Uani 1 1 d .
C163 C 0.03755(14) 0.41262(13) 0.32938(12) 0.0235(6) Uani 1 1 d .
C164 C 0.02216(14) 0.34189(13) 0.33585(12) 0.0227(6) Uani 1 1 d .
C165 C 0.15981(15) 0.57113(13) 0.36660(12) 0.0245(6) Uani 1 1 d .
C166 C 0.21237(15) 0.60213(13) 0.41626(12) 0.0258(6) Uani 1 1 d .
H65 H 0.1970 0.6028 0.4546 0.031 Uiso 1 1 calc R
C167 C 0.28938(15) 0.63325(13) 0.41087(13) 0.0255(6) Uani 1 1 d .
H66 H 0.3242 0.6549 0.4454 0.031 Uiso 1 1 calc R
C168 C 0.31277(15) 0.63174(13) 0.35578(12) 0.0235(6) Uani 1 1 d .
C169 C 0.38304(15) 0.65527(13) 0.33006(12) 0.0256(6) Uani 1 1 d .
C170 C 0.45434(15) 0.69414(14) 0.35640(13) 0.0301(7) Uani 1 1 d .
H67 H 0.4640 0.7092 0.3982 0.036 Uiso 1 1 calc R
C171 C 0.50950(17) 0.71016(16) 0.32197(14) 0.0361(7) Uani 1 1 d .
H68 H 0.5579 0.7366 0.3400 0.043 Uiso 1 1 calc R
C172 C 0.49643(16) 0.68831(16) 0.26016(14) 0.0369(7) Uani 1 1 d .
H69 H 0.5363 0.6994 0.2369 0.044 Uiso 1 1 calc R
C173 C 0.42541(16) 0.65044(15) 0.23256(13) 0.0322(7) Uani 1 1 d .
H70 H 0.4164 0.6361 0.1906 0.039 Uiso 1 1 calc R
C174 C 0.36877(15) 0.63424(14) 0.26674(12) 0.0268(6) Uani 1 1 d .
C175 C 0.28766(15) 0.59745(13) 0.25109(12) 0.0241(6) Uani 1 1 d .
C176 C 0.23642(15) 0.56606(14) 0.20088(12) 0.0267(6) Uani 1 1 d .
H71 H 0.2531 0.5640 0.1628 0.032 Uiso 1 1 calc R
C177 C 0.15865(15) 0.53668(13) 0.20586(13) 0.0268(6) Uani 1 1 d .
H72 H 0.1242 0.5162 0.1709 0.032 Uiso 1 1 calc R
C178 C 0.13256(15) 0.53751(13) 0.26051(12) 0.0234(6) Uani 1 1 d .
C179 C 0.18585(14) 0.56899(13) 0.31131(12) 0.0222(6) Uani 1 1 d .
C180 C 0.25964(15) 0.59770(13) 0.30572(12) 0.0233(6) Uani 1 1 d .
C181 C 0.4209(5) 0.4628(2) 0.4169(2) 0.102(2) Uani 1 1 d .
C182 C 0.4005(4) 0.4227(2) 0.46505(18) 0.0791(15) Uani 1 1 d .
C183 C 0.4727(3) 0.3879(2) 0.48281(17) 0.0679(12) Uani 1 1 d .
C184 C 0.5356(4) 0.4049(3) 0.4467(2) 0.0833(17) Uani 1 1 d .
C185 C 0.5038(4) 0.4497(2) 0.4080(3) 0.0931(18) Uani 1 1 d .
C186 C 0.3639(5) 0.4639(2) 0.3728(2) 0.099(2) Uani 1 1 d .
C187 C 0.2852(4) 0.4280(3) 0.3685(2) 0.0923(18) Uani 1 1 d .
C188 C 0.2674(3) 0.3909(3) 0.4119(2) 0.0893(16) Uani 1 1 d .
C189 C 0.3266(3) 0.3876(3) 0.46205(17) 0.0693(12) Uani 1 1 d .
C190 C 0.3223(2) 0.3158(2) 0.47799(16) 0.0555(10) Uani 1 1 d .
C191 C 0.3917(2) 0.28326(19) 0.49528(14) 0.0475(9) Uani 1 1 d .
C192 C 0.4681(2) 0.3221(2) 0.49731(15) 0.0560(10) Uani 1 1 d .
C193 C 0.5254(2) 0.2627(3) 0.47626(18) 0.0721(14) Uani 1 1 d .
C194 C 0.5799(3) 0.2775(3) 0.4452(2) 0.0903(17) Uani 1 1 d .
C195 C 0.5878(3) 0.3494(3) 0.4304(2) 0.0784(15) Uani 1 1 d .
C196 C 0.6111(2) 0.3362(4) 0.3691(3) 0.098(2) Uani 1 1 d .
C197 C 0.5823(2) 0.3810(3) 0.3335(2) 0.0679(13) Uani 1 1 d .
C198 C 0.5264(4) 0.4383(3) 0.3497(2) 0.094(2) Uani 1 1 d .
C199 C 0.4659(4) 0.4421(2) 0.3012(2) 0.0788(15) Uani 1 1 d .
C200 C 0.3896(4) 0.4544(2) 0.3101(2) 0.0901(19) Uani 1 1 d .
C201 C 0.2617(3) 0.3990(3) 0.3072(2) 0.0875(17) Uani 1 1 d .
C202 C 0.2199(2) 0.3340(4) 0.2915(2) 0.0790(15) Uani 1 1 d .
C203 C 0.1998(2) 0.2925(4) 0.3357(3) 0.0958(19) Uani 1 1 d .
C204 C 0.2234(2) 0.3189(3) 0.3956(2) 0.0787(15) Uani 1 1 d .
C205 C 0.2583(3) 0.2743(3) 0.4384(2) 0.0770(13) Uani 1 1 d .
C206 C 0.2646(3) 0.2001(3) 0.4175(2) 0.0766(14) Uani 1 1 d .
C207 C 0.3347(3) 0.1655(2) 0.43627(18) 0.0607(11) Uani 1 1 d .
C208 C 0.3992(2) 0.20562(19) 0.47432(16) 0.0527(10) Uani 1 1 d .
C209 C 0.4783(2) 0.1920(2) 0.46277(17) 0.0560(11) Uani 1 1 d .
C210 C 0.4903(3) 0.1383(2) 0.4141(2) 0.0694(13) Uani 1 1 d .
C211 C 0.5535(3) 0.1554(3) 0.3799(2) 0.0749(15) Uani 1 1 d .
C212 C 0.5958(2) 0.2199(3) 0.3952(2) 0.0734(14) Uani 1 1 d .
C213 C 0.6160(2) 0.2616(3) 0.3507(3) 0.0927(19) Uani 1 1 d .
C214 C 0.5912(2) 0.2334(3) 0.2898(2) 0.0725(13) Uani 1 1 d .
C215 C 0.5569(2) 0.2803(3) 0.24869(19) 0.0701(13) Uani 1 1 d .
C216 C 0.5507(3) 0.3523(3) 0.2691(2) 0.0704(12) Uani 1 1 d .
C217 C 0.4811(3) 0.3873(2) 0.25051(17) 0.0597(11) Uani 1 1 d .
C218 C 0.4160(2) 0.34866(19) 0.21287(16) 0.0530(10) Uani 1 1 d .
C219 C 0.3372(3) 0.3624(2) 0.22411(17) 0.0593(11) Uani 1 1 d .
C220 C 0.3252(3) 0.4162(3) 0.2729(2) 0.0779(15) Uani 1 1 d .
C221 C 0.2906(3) 0.2912(3) 0.20961(18) 0.0755(14) Uani 1 1 d .
C222 C 0.2357(3) 0.2756(3) 0.2406(2) 0.0889(17) Uani 1 1 d .
C223 C 0.2274(2) 0.2037(3) 0.2561(2) 0.0710(14) Uani 1 1 d .
C224 C 0.2040(2) 0.2165(4) 0.3174(3) 0.099(2) Uani 1 1 d .
C225 C 0.2337(2) 0.1720(3) 0.3543(2) 0.0688(13) Uani 1 1 d .
C226 C 0.2885(3) 0.1151(3) 0.3367(2) 0.0867(19) Uani 1 1 d .
C227 C 0.3501(3) 0.1114(2) 0.3847(2) 0.0723(14) Uani 1 1 d .
C228 C 0.4262(4) 0.09913(19) 0.37608(19) 0.0747(15) Uani 1 1 d .
C229 C 0.4513(3) 0.09015(19) 0.3137(2) 0.0768(15) Uani 1 1 d .
C230 C 0.5290(3) 0.1256(2) 0.31758(19) 0.0702(13) Uani 1 1 d .
C231 C 0.5480(2) 0.1633(3) 0.2740(2) 0.0724(13) Uani 1 1 d .
C232 C 0.4867(2) 0.1664(2) 0.22458(16) 0.0558(10) Uani 1 1 d .
C233 C 0.4922(2) 0.2391(2) 0.20912(15) 0.0481(9) Uani 1 1 d .
C234 C 0.4226(2) 0.27091(17) 0.19147(14) 0.0425(8) Uani 1 1 d .
C235 C 0.3464(2) 0.2320(2) 0.18881(14) 0.0465(9) Uani 1 1 d .
C236 C 0.3429(2) 0.1657(2) 0.20340(16) 0.0561(10) Uani 1 1 d .
C237 C 0.2795(3) 0.1486(2) 0.23958(18) 0.0691(14) Uani 1 1 d .
C238 C 0.3121(3) 0.1042(2) 0.2783(2) 0.0785(15) Uani 1 1 d .
C239 C 0.3935(4) 0.09174(19) 0.2694(2) 0.0812(16) Uani 1 1 d .
C240 C 0.4130(3) 0.13213(18) 0.22165(16) 0.0593(11) Uani 1 1 d .
C241 C 0.65678(18) 0.56167(16) 0.29920(16) 0.0442(9) Uani 1 1 d .
S3 S 0.64428(6) 0.52838(6) 0.23237(5) 0.0629(3) Uani 1 1 d .
S4 S 0.66907(6) 0.59435(5) 0.36594(5) 0.0543(3) Uani 1 1 d .
C242 C 0.16110(17) -0.02825(15) 0.33761(14) 0.0372(8) Uani 1 1 d .
S5 S 0.14670(6) -0.05097(5) 0.26957(4) 0.0576(3) Uani 1 1 d .
S6 S 0.17661(5) -0.00446(5) 0.40518(4) 0.0501(2) Uani 1 1 d .
C243 C 0.79853(14) 1.21567(13) 0.34747(12) 0.0216(6) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C48 C1 C32 114.9(2) . .
C48 C1 C16 112.89(19) . .
C32 C1 C16 116.09(18) . .
C48 C1 C2 104.16(17) . .
C32 C1 C2 103.59(18) . .
C16 C1 C2 103.2(2) . .
C19 C2 C3 114.3(2) . .
C19 C2 C35 116.34(18) . .
C3 C2 C35 113.66(19) . .
C19 C2 C1 103.61(18) . .
C3 C2 C1 104.02(18) . .
C35 C2 C1 102.7(2) . .
C4 C3 C17 118.0(2) . .
C4 C3 C2 134.7(2) . .
C17 C3 C2 107.3(2) . .
C3 C4 C5 121.2(2) . .
C3 C4 H1 119.4 . .
C5 C4 H1 119.4 . .
C6 C5 C4 120.2(3) . .
C6 C5 H2 119.9 . .
C4 C5 H2 119.9 . .
C5 C6 C18 117.5(2) . .
C5 C6 C7 138.5(3) . .
C18 C6 C7 103.9(2) . .
C8 C7 C12 120.6(2) . .
C8 C7 C6 131.3(3) . .
C12 C7 C6 108.1(3) . .
C7 C8 C9 118.7(3) . .
C7 C8 H3 120.6 . .
C9 C8 H3 120.6 . .
C10 C9 C8 120.9(3) . .
C10 C9 H4 119.6 . .
C8 C9 H4 119.6 . .
C11 C10 C9 120.5(3) . .
C11 C10 H5 119.8 . .
C9 C10 H5 119.8 . .
C10 C11 C12 119.6(3) . .
C10 C11 H6 120.2 . .
C12 C11 H6 120.2 . .
C11 C12 C7 119.8(3) . .
C11 C12 C13 131.1(3) . .
C7 C12 C13 109.1(2) . .
C14 C13 C18 116.7(2) . .
C14 C13 C12 140.0(2) . .
C18 C13 C12 103.3(2) . .
C13 C14 C15 121.6(2) . .
C13 C14 H7 119.2 . .
C15 C14 H7 119.2 . .
C16 C15 C14 120.4(3) . .
C16 C15 H8 119.8 . .
C14 C15 H8 119.8 . .
C15 C16 C17 117.9(2) . .
C15 C16 C1 134.3(3) . .
C17 C16 C1 107.5(2) . .
C18 C17 C16 121.4(2) . .
C18 C17 C3 120.6(3) . .
C16 C17 C3 117.9(2) . .
C17 C18 C6 122.4(2) . .
C17 C18 C13 122.0(3) . .
C6 C18 C13 115.5(2) . .
C20 C19 C33 117.8(2) . .
C20 C19 C2 134.4(2) . .
C33 C19 C2 107.7(2) . .
C19 C20 C21 121.1(2) . .
C19 C20 H9 119.4 . .
C21 C20 H9 119.4 . .
C22 C21 C20 120.4(2) . .
C22 C21 H10 119.8 . .
C20 C21 H10 119.8 . .
C21 C22 C34 117.3(2) . .
C21 C22 C23 138.4(2) . .
C34 C22 C23 104.3(2) . .
C24 C23 C28 120.5(2) . .
C24 C23 C22 131.1(3) . .
C28 C23 C22 108.5(2) . .
C23 C24 C25 119.6(3) . .
C23 C24 H11 120.2 . .
C25 C24 H11 120.2 . .
C24 C25 C26 120.2(2) . .
C24 C25 H12 119.9 . .
C26 C25 H12 119.9 . .
C25 C26 C27 121.1(2) . .
C25 C26 H13 119.4 . .
C27 C26 H13 119.4 . .
C28 C27 C26 119.4(3) . .
C28 C27 H14 120.3 . .
C26 C27 H14 120.3 . .
C27 C28 C23 119.2(2) . .
C27 C28 C29 132.3(2) . .
C23 C28 C29 108.5(2) . .
C30 C29 C34 116.9(2) . .
C30 C29 C28 139.2(2) . .
C34 C29 C28 104.0(2) . .
C29 C30 C31 120.6(2) . .
C29 C30 H15 119.7 . .
C31 C30 H15 119.7 . .
C32 C31 C30 121.2(2) . .
C32 C31 H16 119.4 . .
C30 C31 H16 119.4 . .
C31 C32 C33 117.2(2) . .
C31 C32 C1 135.6(2) . .
C33 C32 C1 107.2(2) . .
C34 C33 C19 121.0(2) . .
C34 C33 C32 121.3(2) . .
C19 C33 C32 117.7(2) . .
C33 C34 C29 122.8(2) . .
C33 C34 C22 122.3(2) . .
C29 C34 C22 114.8(2) . .
C36 C35 C49 118.0(2) . .
C36 C35 C2 134.1(3) . .
C49 C35 C2 107.9(2) . .
C35 C36 C37 120.4(3) . .
C35 C36 H17 119.8 . .
C37 C36 H17 119.8 . .
C38 C37 C36 121.0(2) . .
C38 C37 H18 119.5 . .
C36 C37 H18 119.5 . .
C37 C38 C50 116.8(2) . .
C37 C38 C39 139.0(2) . .
C50 C38 C39 104.2(2) . .
C40 C39 C44 119.4(3) . .
C40 C39 C38 132.1(3) . .
C44 C39 C38 108.6(2) . .
C41 C40 C39 119.2(3) . .
C41 C40 H19 120.4 . .
C39 C40 H19 120.4 . .
C40 C41 C42 121.2(2) . .
C40 C41 H20 119.4 . .
C42 C41 H20 119.4 . .
C41 C42 C43 120.5(3) . .
C41 C42 H21 119.7 . .
C43 C42 H21 119.7 . .
C44 C43 C42 118.9(3) . .
C44 C43 H22 120.6 . .
C42 C43 H22 120.6 . .
C43 C44 C39 120.9(2) . .
C43 C44 C45 131.2(2) . .
C39 C44 C45 107.9(2) . .
C46 C45 C50 117.9(2) . .
C46 C45 C44 137.7(3) . .
C50 C45 C44 104.4(2) . .
C45 C46 C47 119.6(3) . .
C45 C46 H23 120.2 . .
C47 C46 H23 120.2 . .
C48 C47 C46 121.1(2) . .
C48 C47 H24 119.4 . .
C46 C47 H24 119.4 . .
C47 C48 C49 118.2(2) . .
C47 C48 C1 134.8(2) . .
C49 C48 C1 107.0(2) . .
C50 C49 C35 121.4(2) . .
C50 C49 C48 120.5(3) . .
C35 C49 C48 118.1(2) . .
C49 C50 C45 122.7(2) . .
C49 C50 C38 122.4(3) . .
C45 C50 C38 114.8(2) . .
C59 C51 C52 120.3(3) . .
C59 C51 C55 119.6(2) . .
C52 C51 C55 107.8(3) . .
C62 C52 C51 119.5(3) . .
C62 C52 C53 120.7(3) . .
C51 C52 C53 108.0(3) . .
C65 C53 C54 120.5(3) . .
C65 C53 C52 118.9(3) . .
C54 C53 C52 108.8(3) . .
C68 C54 C53 120.2(3) . .
C68 C54 C55 120.0(2) . .
C53 C54 C55 108.1(3) . .
C56 C55 C54 120.8(3) . .
C56 C55 C51 119.7(3) . .
C54 C55 C51 107.3(2) . .
C55 C56 C57 120.6(3) . .
C55 C56 C70 119.4(3) . .
C57 C56 C70 107.9(2) . .
C58 C57 C56 120.2(3) . .
C58 C57 C80 119.5(3) . .
C56 C57 C80 108.3(3) . .
C57 C58 C75 120.1(2) . 2_575
C57 C58 C59 119.7(3) . .
C75 C58 C59 108.1(3) 2_575 .
C51 C59 C60 120.3(2) . .
C51 C59 C58 120.1(3) . .
C60 C59 C58 107.5(3) . .
C61 C60 C76 119.7(2) . 2_575
C61 C60 C59 119.4(3) . .
C76 C60 C59 108.6(2) 2_575 .
C60 C61 C71 120.0(2) . .
C60 C61 C62 120.2(3) . .
C71 C61 C62 108.2(2) . .
C52 C62 C61 120.3(2) . .
C52 C62 C63 119.7(3) . .
C61 C62 C63 107.3(2) . .
C64 C63 C62 119.6(3) . .
C64 C63 C72 120.0(3) . .
C62 C63 C72 108.4(3) . .
C63 C64 C65 120.0(3) . .
C63 C64 C73 119.5(3) . .
C65 C64 C73 108.8(3) . .
C53 C65 C64 121.1(3) . .
C53 C65 C66 118.9(3) . .
C64 C65 C66 107.7(3) . .
C67 C66 C74 120.5(2) . .
C67 C66 C65 119.9(3) . .
C74 C66 C65 107.6(3) . .
C66 C67 C68 120.3(3) . .
C66 C67 C77 120.0(3) . .
C68 C67 C77 107.9(2) . .
C54 C68 C67 120.1(3) . .
C54 C68 C69 118.9(3) . .
C67 C68 C69 108.2(2) . .
C70 C69 C78 120.5(2) . .
C70 C69 C68 120.9(3) . .
C78 C69 C68 107.2(2) . .
C69 C70 C79 120.4(2) . .
C69 C70 C56 120.0(3) . .
C79 C70 C56 107.7(3) . .
C78 C71 C72 120.3(2) 2_575 .
C78 C71 C61 119.4(2) 2_575 .
C72 C71 C61 108.7(2) . .
C79 C72 C71 120.1(2) 2_575 .
C79 C72 C63 119.9(3) 2_575 .
C71 C72 C63 107.3(2) . .
C80 C73 C64 120.7(3) 2_575 .
C80 C73 C74 119.9(2) 2_575 .
C64 C73 C74 107.5(3) . .
C75 C74 C66 120.0(3) . .
C75 C74 C73 119.7(3) . .
C66 C74 C73 108.4(2) . .
C74 C75 C58 120.2(3) . 2_575
C74 C75 C76 119.7(3) . .
C58 C75 C76 107.8(2) 2_575 .
C77 C76 C60 120.5(2) . 2_575
C77 C76 C75 120.3(2) . .
C60 C76 C75 107.9(3) 2_575 .
C76 C77 C78 119.8(2) . .
C76 C77 C67 119.5(3) . .
C78 C77 C67 108.4(2) . .
C71 C78 C77 120.6(2) 2_575 .
C71 C78 C69 118.8(3) 2_575 .
C77 C78 C69 108.2(2) . .
C72 C79 C70 119.8(3) 2_575 .
C72 C79 C80 120.0(3) 2_575 .
C70 C79 C80 108.6(2) . .
C73 C80 C79 119.9(2) 2_575 .
C73 C80 C57 120.6(3) 2_575 .
C79 C80 C57 107.6(3) . .
S2 C81 S1 178.8(2) . .
C112 C82 C97 114.5(2) . .
C112 C82 C128 113.12(19) . .
C97 C82 C128 116.17(18) . .
C112 C82 C83 104.24(17) . .
C97 C82 C83 103.71(18) . .
C128 C82 C83 103.1(2) . .
C115 C83 C99 114.57(19) . .
C115 C83 C84 114.5(2) . .
C99 C83 C84 115.62(18) . .
C115 C83 C82 103.88(17) . .
C99 C83 C82 102.8(2) . .
C84 C83 C82 103.21(18) . .
C85 C84 C98 117.6(2) . .
C85 C84 C83 134.9(2) . .
C98 C84 C83 107.5(2) . .
C84 C85 C86 120.9(2) . .
C84 C85 H25 119.6 . .
C86 C85 H25 119.5 . .
C87 C86 C85 120.9(2) . .
C87 C86 H26 119.5 . .
C85 C86 H26 119.5 . .
C86 C87 C243 117.0(2) . .
C86 C87 C88 139.2(2) . .
C243 C87 C88 103.8(2) . .
C89 C88 C93 119.8(2) . .
C89 C88 C87 131.9(3) . .
C93 C88 C87 108.3(2) . .
C88 C89 C90 120.2(3) . .
C88 C89 H27 119.9 . .
C90 C89 H27 119.9 . .
C89 C90 C91 119.7(3) . .
C89 C90 H28 120.1 . .
C91 C90 H28 120.1 . .
C92 C91 C90 121.1(3) . .
C92 C91 H29 119.5 . .
C90 C91 H29 119.5 . .
C91 C92 C93 119.2(3) . .
C91 C92 H30 120.4 . .
C93 C92 H30 120.4 . .
C92 C93 C88 120.0(2) . .
C92 C93 C94 131.4(3) . .
C88 C93 C94 108.5(2) . .
C95 C94 C243 117.4(2) . .
C95 C94 C93 138.3(2) . .
C243 C94 C93 104.2(2) . .
C94 C95 C96 120.3(2) . .
C94 C95 H31 119.8 . .
C96 C95 H31 119.8 . .
C97 C96 C95 120.6(2) . .
C97 C96 H32 119.7 . .
C95 C96 H32 119.7 . .
C96 C97 C98 118.3(2) . .
C96 C97 C82 134.4(2) . .
C98 C97 C82 107.3(2) . .
C243 C98 C84 121.4(2) . .
C243 C98 C97 120.7(2) . .
C84 C98 C97 118.0(2) . .
C100 C99 C113 117.5(2) . .
C100 C99 C83 135.0(3) . .
C113 C99 C83 107.5(2) . .
C99 C100 C101 120.8(3) . .
C99 C100 H33 119.6 . .
C101 C100 H33 119.6 . .
C102 C101 C100 120.9(2) . .
C102 C101 H34 119.5 . .
C100 C101 H34 119.5 . .
C101 C102 C114 116.8(2) . .
C101 C102 C103 139.6(2) . .
C114 C102 C103 103.7(2) . .
C104 C103 C108 119.2(3) . .
C104 C103 C102 131.7(3) . .
C108 C103 C102 109.0(2) . .
C105 C104 C103 119.4(3) . .
C105 C104 H35 120.3 . .
C103 C104 H35 120.3 . .
C104 C105 C106 121.3(2) . .
C104 C105 H36 119.4 . .
C106 C105 H36 119.4 . .
C105 C106 C107 120.7(3) . .
C105 C106 H37 119.6 . .
C107 C106 H37 119.6 . .
C108 C107 C106 118.3(3) . .
C108 C107 H38 120.8 . .
C106 C107 H38 120.8 . .
C107 C108 C103 121.0(2) . .
C107 C108 C109 131.3(3) . .
C103 C108 C109 107.6(2) . .
C110 C109 C114 117.6(2) . .
C110 C109 C108 137.7(3) . .
C114 C109 C108 104.7(2) . .
C109 C110 C111 120.3(3) . .
C109 C110 H39 119.9 . .
C111 C110 H39 119.9 . .
C112 C111 C110 120.7(2) . .
C112 C111 H40 119.7 . .
C110 C111 H40 119.7 . .
C111 C112 C113 118.5(2) . .
C111 C112 C82 134.3(2) . .
C113 C112 C82 107.2(2) . .
C114 C113 C99 121.9(2) . .
C114 C113 C112 120.0(3) . .
C99 C113 C112 118.1(2) . .
C113 C114 C109 122.9(2) . .
C113 C114 C102 122.1(3) . .
C109 C114 C102 115.0(2) . .
C116 C115 C129 117.2(2) . .
C116 C115 C83 135.3(2) . .
C129 C115 C83 107.5(2) . .
C115 C116 C117 121.6(2) . .
C115 C116 H41 119.2 . .
C117 C116 H41 119.2 . .
C118 C117 C116 120.4(3) . .
C118 C117 H42 119.8 . .
C116 C117 H42 119.8 . .
C117 C118 C130 116.8(2) . .
C117 C118 C119 138.8(3) . .
C130 C118 C119 104.3(2) . .
C120 C119 C124 120.4(2) . .
C120 C119 C118 131.5(3) . .
C124 C119 C118 108.1(2) . .
C119 C120 C121 119.0(3) . .
C119 C120 H43 120.5 . .
C121 C120 H43 120.5 . .
C122 C121 C120 120.7(3) . .
C122 C121 H44 119.6 . .
C120 C121 H44 119.6 . .
C123 C122 C121 121.1(3) . .
C123 C122 H45 119.4 . .
C121 C122 H45 119.4 . .
C122 C123 C124 118.8(3) . .
C122 C123 H46 120.6 . .
C124 C123 H46 120.6 . .
C123 C124 C119 120.0(3) . .
C123 C124 C125 130.7(3) . .
C119 C124 C125 109.3(2) . .
C126 C125 C130 116.9(2) . .
C126 C125 C124 139.7(2) . .
C130 C125 C124 103.4(2) . .
C125 C126 C127 121.0(2) . .
C125 C126 H47 119.5 . .
C127 C126 H47 119.5 . .
C128 C127 C126 121.0(3) . .
C128 C127 H48 119.5 . .
C126 C127 H48 119.5 . .
C127 C128 C129 118.0(2) . .
C127 C128 C82 134.3(3) . .
C129 C128 C82 107.6(2) . .
C130 C129 C128 121.1(2) . .
C130 C129 C115 121.0(3) . .
C128 C129 C115 117.9(2) . .
C129 C130 C118 123.0(2) . .
C129 C130 C125 122.0(3) . .
C118 C130 C125 114.9(2) . .
C178 C131 C162 116.1(2) . .
C178 C131 C146 114.5(2) . .
C162 C131 C146 114.05(19) . .
C178 C131 C132 103.66(18) . .
C162 C131 C132 103.26(19) . .
C146 C131 C132 103.0(2) . .
C133 C132 C149 114.2(2) . .
C133 C132 C165 113.4(2) . .
C149 C132 C165 116.27(19) . .
C133 C132 C131 103.96(19) . .
C149 C132 C131 103.67(19) . .
C165 C132 C131 103.2(2) . .
C134 C133 C147 118.4(2) . .
C134 C133 C132 134.1(2) . .
C147 C133 C132 107.4(2) . .
C133 C134 C135 121.0(3) . .
C133 C134 H49 119.5 . .
C135 C134 H49 119.5 . .
C136 C135 C134 120.7(3) . .
C136 C135 H50 119.7 . .
C134 C135 H50 119.7 . .
C135 C136 C148 117.3(2) . .
C135 C136 C137 138.9(3) . .
C148 C136 C137 103.7(2) . .
C138 C137 C142 121.5(3) . .
C138 C137 C136 129.6(3) . .
C142 C137 C136 108.9(3) . .
C139 C138 C137 117.3(3) . .
C139 C138 H51 121.4 . .
C137 C138 H51 121.4 . .
C138 C139 C140 121.5(3) . .
C138 C139 H52 119.2 . .
C140 C139 H52 119.2 . .
C141 C140 C139 121.6(3) . .
C141 C140 H53 119.2 . .
C139 C140 H53 119.2 . .
C140 C141 C142 118.1(3) . .
C140 C141 H54 121.0 . .
C142 C141 H54 121.0 . .
C141 C142 C137 120.0(3) . .
C141 C142 C143 131.4(3) . .
C137 C142 C143 108.5(2) . .
C144 C143 C148 116.8(2) . .
C144 C143 C142 139.7(3) . .
C148 C143 C142 103.6(3) . .
C143 C144 C145 121.2(2) . .
C143 C144 H55 119.4 . .
C145 C144 H55 119.4 . .
C146 C145 C144 120.5(3) . .
C146 C145 H56 119.8 . .
C144 C145 H56 119.8 . .
C145 C146 C147 117.5(2) . .
C145 C146 C131 135.2(3) . .
C147 C146 C131 107.4(2) . .
C148 C147 C146 121.7(2) . .
C148 C147 C133 120.2(3) . .
C146 C147 C133 118.2(2) . .
C147 C148 C143 122.4(3) . .
C147 C148 C136 122.3(3) . .
C143 C148 C136 115.2(2) . .
C150 C149 C163 117.4(2) . .
C150 C149 C132 134.9(2) . .
C163 C149 C132 107.6(2) . .
C149 C150 C151 121.1(3) . .
C149 C150 H57 119.5 . .
C151 C150 H57 119.5 . .
C152 C151 C150 121.1(3) . .
C152 C151 H58 119.4 . .
C150 C151 H58 119.4 . .
C151 C152 C164 116.8(2) . .
C151 C152 C153 138.6(2) . .
C164 C152 C153 104.3(2) . .
C154 C153 C158 120.2(2) . .
C154 C153 C152 131.9(3) . .
C158 C153 C152 108.0(2) . .
C153 C154 C155 118.4(3) . .
C153 C154 H59 120.8 . .
C155 C154 H59 120.8 . .
C154 C155 C156 121.6(2) . .
C154 C155 H60 119.2 . .
C156 C155 H60 119.2 . .
C157 C156 C155 119.4(3) . .
C157 C156 H61 120.3 . .
C155 C156 H61 120.3 . .
C156 C157 C158 120.9(3) . .
C156 C157 H62 119.6 . .
C158 C157 H62 119.6 . .
C157 C158 C153 119.6(2) . .
C157 C158 C159 131.1(3) . .
C153 C158 C159 109.3(2) . .
C160 C159 C164 117.0(2) . .
C160 C159 C158 139.2(3) . .
C164 C159 C158 103.5(2) . .
C159 C160 C161 121.1(2) . .
C159 C160 H63 119.4 . .
C161 C160 H63 119.4 . .
C162 C161 C160 121.2(3) . .
C162 C161 H64 119.4 . .
C160 C161 H64 119.4 . .
C161 C162 C163 117.3(2) . .
C161 C162 C131 134.9(2) . .
C163 C162 C131 107.7(2) . .
C164 C163 C162 121.4(2) . .
C164 C163 C149 120.9(2) . .
C162 C163 C149 117.5(2) . .
C163 C164 C152 122.7(2) . .
C163 C164 C159 121.9(2) . .
C152 C164 C159 114.9(2) . .
C166 C165 C179 117.4(2) . .
C166 C165 C132 134.5(3) . .
C179 C165 C132 108.0(2) . .
C165 C166 C167 121.3(3) . .
C165 C166 H65 119.3 . .
C167 C166 H65 119.3 . .
C168 C167 C166 119.9(2) . .
C168 C167 H66 120.0 . .
C166 C167 H66 120.0 . .
C167 C168 C180 118.0(2) . .
C167 C168 C169 138.2(2) . .
C180 C168 C169 103.7(2) . .
C170 C169 C174 119.4(3) . .
C170 C169 C168 131.5(3) . .
C174 C169 C168 109.1(2) . .
C171 C170 C169 119.7(3) . .
C171 C170 H67 120.2 . .
C169 C170 H67 120.2 . .
C170 C171 C172 121.1(3) . .
C170 C171 H68 119.5 . .
C172 C171 H68 119.5 . .
C173 C172 C171 120.6(3) . .
C173 C172 H69 119.7 . .
C171 C172 H69 119.7 . .
C174 C173 C172 119.1(3) . .
C174 C173 H70 120.5 . .
C172 C173 H70 120.5 . .
C173 C174 C169 120.2(2) . .
C173 C174 C175 131.9(3) . .
C169 C174 C175 107.8(2) . .
C176 C175 C180 116.6(2) . .
C176 C175 C174 139.0(3) . .
C180 C175 C174 104.4(2) . .
C175 C176 C177 120.7(3) . .
C175 C176 H71 119.7 . .
C177 C176 H71 119.7 . .
C178 C177 C176 121.5(2) . .
C178 C177 H72 119.3 . .
C176 C177 H72 119.3 . .
C177 C178 C179 117.2(2) . .
C177 C178 C131 135.5(2) . .
C179 C178 C131 107.3(2) . .
C180 C179 C165 121.7(2) . .
C180 C179 C178 120.6(3) . .
C165 C179 C178 117.7(2) . .
C179 C180 C175 123.5(2) . .
C179 C180 C168 121.6(3) . .
C175 C180 C168 115.0(2) . .
C186 C181 C185 123.0(6) . .
C186 C181 C182 116.8(6) . .
C185 C181 C182 107.7(5) . .
C189 C182 C183 120.8(4) . .
C189 C182 C181 121.3(5) . .
C183 C182 C181 105.5(5) . .
C192 C183 C182 120.0(4) . .
C192 C183 C184 119.4(5) . .
C182 C183 C184 109.0(4) . .
C195 C184 C185 123.0(5) . .
C195 C184 C183 117.0(4) . .
C185 C184 C183 108.4(6) . .
C184 C185 C198 118.2(6) . .
C184 C185 C181 109.5(6) . .
C198 C185 C181 119.9(6) . .
C181 C186 C187 123.3(6) . .
C181 C186 C200 116.8(7) . .
C187 C186 C200 108.6(5) . .
C188 C187 C201 122.0(6) . .
C188 C187 C186 119.6(5) . .
C201 C187 C186 106.5(6) . .
C187 C188 C189 120.4(6) . .
C187 C188 C204 119.9(5) . .
C189 C188 C204 107.3(4) . .
C182 C189 C190 118.7(4) . .
C182 C189 C188 118.5(5) . .
C190 C189 C188 110.4(4) . .
C191 C190 C205 121.4(4) . .
C191 C190 C189 120.0(4) . .
C205 C190 C189 106.3(4) . .
C190 C191 C208 119.4(3) . .
C190 C191 C192 119.3(3) . .
C208 C191 C192 109.3(3) . .
C183 C192 C191 121.2(4) . .
C183 C192 C193 121.1(4) . .
C191 C192 C193 105.6(3) . .
C194 C193 C209 122.4(5) . .
C194 C193 C192 119.5(5) . .
C209 C193 C192 106.5(4) . .
C193 C194 C195 120.5(6) . .
C193 C194 C212 117.5(5) . .
C195 C194 C212 110.6(5) . .
C184 C195 C194 122.5(5) . .
C184 C195 C196 119.3(5) . .
C194 C195 C196 105.5(5) . .
C197 C196 C213 123.6(6) . .
C197 C196 C195 116.8(6) . .
C213 C196 C195 108.0(5) . .
C196 C197 C198 124.2(5) . .
C196 C197 C216 121.7(5) . .
C198 C197 C216 101.1(4) . .
C185 C198 C199 118.1(6) . .
C185 C198 C197 118.4(5) . .
C199 C198 C197 111.9(4) . .
C200 C199 C198 121.4(5) . .
C200 C199 C217 118.5(5) . .
C198 C199 C217 108.2(5) . .
C199 C200 C220 122.4(5) . .
C199 C200 C186 120.8(5) . .
C220 C200 C186 104.8(6) . .
C202 C201 C187 118.9(6) . .
C202 C201 C220 119.9(5) . .
C187 C201 C220 109.4(6) . .
C201 C202 C203 121.2(5) . .
C201 C202 C222 123.3(5) . .
C203 C202 C222 103.5(5) . .
C204 C203 C224 115.1(6) . .
C204 C203 C202 120.8(5) . .
C224 C203 C202 113.0(6) . .
C203 C204 C188 117.1(5) . .
C203 C204 C205 125.2(5) . .
C188 C204 C205 105.8(4) . .
C206 C205 C190 120.0(4) . .
C206 C205 C204 117.4(5) . .
C190 C205 C204 110.2(4) . .
C205 C206 C207 119.2(4) . .
C205 C206 C225 116.5(4) . .
C207 C206 C225 112.7(5) . .
C208 C207 C206 121.7(4) . .
C208 C207 C227 119.9(4) . .
C206 C207 C227 105.6(4) . .
C209 C208 C207 119.6(4) . .
C209 C208 C191 110.1(3) . .
C207 C208 C191 118.2(3) . .
C210 C209 C208 118.4(4) . .
C210 C209 C193 120.7(4) . .
C208 C209 C193 108.5(4) . .
C209 C210 C228 121.9(5) . .
C209 C210 C211 116.2(4) . .
C228 C210 C211 110.1(4) . .
C212 C211 C230 119.1(5) . .
C212 C211 C210 120.5(5) . .
C230 C211 C210 108.9(4) . .
C211 C212 C213 121.4(5) . .
C211 C212 C194 122.7(5) . .
C213 C212 C194 103.5(5) . .
C196 C213 C214 116.1(5) . .
C196 C213 C212 112.4(6) . .
C214 C213 C212 119.9(5) . .
C213 C214 C231 118.1(5) . .
C213 C214 C215 122.4(5) . .
C231 C214 C215 107.3(4) . .
C216 C215 C233 119.5(4) . .
C216 C215 C214 119.3(4) . .
C233 C215 C214 108.9(4) . .
C215 C216 C217 119.5(4) . .
C215 C216 C197 116.7(4) . .
C217 C216 C197 112.5(4) . .
C218 C217 C216 122.6(4) . .
C218 C217 C199 119.1(4) . .
C216 C217 C199 106.3(4) . .
C219 C218 C217 120.7(4) . .
C219 C218 C234 109.7(3) . .
C217 C218 C234 117.6(3) . .
C220 C219 C218 118.4(4) . .
C220 C219 C221 121.6(5) . .
C218 C219 C221 107.7(4) . .
C200 C220 C219 120.9(5) . .
C200 C220 C201 110.7(5) . .
C219 C220 C201 116.2(5) . .
C222 C221 C219 122.1(5) . .
C222 C221 C235 118.5(5) . .
C219 C221 C235 107.7(4) . .
C221 C222 C223 121.6(5) . .
C221 C222 C202 116.9(6) . .
C223 C222 C202 109.9(5) . .
C237 C223 C222 121.5(4) . .
C237 C223 C224 119.5(5) . .
C222 C223 C224 106.3(5) . .
C225 C224 C203 122.8(6) . .
C225 C224 C223 117.7(6) . .
C203 C224 C223 107.3(5) . .
C224 C225 C226 122.2(5) . .
C224 C225 C206 122.8(5) . .
C226 C225 C206 102.5(4) . .
C238 C226 C227 116.9(6) . .
C238 C226 C225 119.8(4) . .
C227 C226 C225 111.1(4) . .
C228 C227 C226 122.5(5) . .
C228 C227 C207 118.4(4) . .
C226 C227 C207 108.1(4) . .
C227 C228 C210 121.7(5) . .
C227 C228 C229 120.2(4) . .
C210 C228 C229 105.6(5) . .
C239 C229 C230 123.0(5) . .
C239 C229 C228 116.7(5) . .
C230 C229 C228 108.8(4) . .
C231 C230 C229 120.6(4) . .
C231 C230 C211 121.1(5) . .
C229 C230 C211 106.6(5) . .
C230 C231 C214 120.4(4) . .
C230 C231 C232 118.3(4) . .
C214 C231 C232 108.1(4) . .
C240 C232 C233 119.1(3) . .
C240 C232 C231 120.2(4) . .
C233 C232 C231 108.9(3) . .
C234 C233 C215 122.5(4) . .
C234 C233 C232 118.7(3) . .
C215 C233 C232 106.9(3) . .
C233 C234 C218 118.2(3) . .
C233 C234 C235 119.8(3) . .
C218 C234 C235 110.1(3) . .
C236 C235 C234 120.3(3) . .
C236 C235 C221 122.3(4) . .
C234 C235 C221 104.7(3) . .
C235 C236 C240 121.0(3) . .
C235 C236 C237 118.5(4) . .
C240 C236 C237 108.4(4) . .
C223 C237 C238 122.9(5) . .
C223 C237 C236 117.5(4) . .
C238 C237 C236 107.7(5) . .
C237 C238 C239 109.7(5) . .
C237 C238 C226 117.9(5) . .
C239 C238 C226 120.4(5) . .
C229 C239 C238 123.2(5) . .
C229 C239 C240 117.2(5) . .
C238 C239 C240 107.4(4) . .
C232 C240 C236 121.1(3) . .
C232 C240 C239 120.7(4) . .
C236 C240 C239 106.8(4) . .
S4 C241 S3 179.6(2) . .
S6 C242 S5 178.9(2) . .
C98 C243 C94 122.6(2) . .
C98 C243 C87 122.2(2) . .
C94 C243 C87 115.2(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C48 1.525(4) .
C1 C32 1.529(3) .
C1 C16 1.531(3) .
C1 C2 1.687(4) .
C2 C19 1.518(3) .
C2 C3 1.522(4) .
C2 C35 1.536(3) .
C3 C4 1.373(4) .
C3 C17 1.406(3) .
C4 C5 1.435(4) .
C4 H1 0.9500 .
C5 C6 1.384(3) .
C5 H2 0.9500 .
C6 C18 1.398(4) .
C6 C7 1.487(3) .
C7 C8 1.378(4) .
C7 C12 1.428(4) .
C8 C9 1.403(4) .
C8 H3 0.9500 .
C9 C10 1.399(5) .
C9 H4 0.9500 .
C10 C11 1.381(4) .
C10 H5 0.9500 .
C11 C12 1.393(3) .
C11 H6 0.9500 .
C12 C13 1.482(4) .
C13 C14 1.381(4) .
C13 C18 1.410(3) .
C14 C15 1.432(4) .
C14 H7 0.9500 .
C15 C16 1.381(3) .
C15 H8 0.9500 .
C16 C17 1.401(4) .
C17 C18 1.376(3) .
C19 C20 1.380(4) .
C19 C33 1.405(4) .
C20 C21 1.428(3) .
C20 H9 0.9500 .
C21 C22 1.379(4) .
C21 H10 0.9500 .
C22 C34 1.413(4) .
C22 C23 1.481(3) .
C23 C24 1.381(3) .
C23 C28 1.431(4) .
C24 C25 1.385(3) .
C24 H11 0.9500 .
C25 C26 1.391(4) .
C25 H12 0.9500 .
C26 C27 1.393(4) .
C26 H13 0.9500 .
C27 C28 1.387(3) .
C27 H14 0.9500 .
C28 C29 1.491(3) .
C29 C30 1.373(4) .
C29 C34 1.404(4) .
C30 C31 1.441(3) .
C30 H15 0.9500 .
C31 C32 1.375(4) .
C31 H16 0.9500 .
C32 C33 1.406(3) .
C33 C34 1.361(3) .
C35 C36 1.385(3) .
C35 C49 1.390(4) .
C36 C37 1.438(3) .
C36 H17 0.9500 .
C37 C38 1.384(4) .
C37 H18 0.9500 .
C38 C50 1.407(3) .
C38 C39 1.480(4) .
C39 C40 1.391(3) .
C39 C44 1.429(4) .
C40 C41 1.384(4) .
C40 H19 0.9500 .
C41 C42 1.392(4) .
C41 H20 0.9500 .
C42 C43 1.395(3) .
C42 H21 0.9500 .
C43 C44 1.377(4) .
C43 H22 0.9500 .
C44 C45 1.491(3) .
C45 C46 1.387(3) .
C45 C50 1.394(4) .
C46 C47 1.443(3) .
C46 H23 0.9500 .
C47 C48 1.375(4) .
C47 H24 0.9500 .
C48 C49 1.406(3) .
C49 C50 1.373(3) .
C51 C59 1.386(4) .
C51 C52 1.450(4) .
C51 C55 1.467(4) .
C52 C62 1.387(4) .
C52 C53 1.450(4) .
C53 C65 1.388(4) .
C53 C54 1.435(4) .
C54 C68 1.387(4) .
C54 C55 1.462(4) .
C55 C56 1.384(4) .
C56 C57 1.442(4) .
C56 C70 1.462(4) .
C57 C58 1.387(4) .
C57 C80 1.453(4) .
C58 C75 1.456(4) 2_575
C58 C59 1.462(4) .
C59 C60 1.453(4) .
C60 C61 1.387(3) .
C60 C76 1.451(4) 2_575
C61 C71 1.453(3) .
C61 C62 1.454(4) .
C62 C63 1.460(4) .
C63 C64 1.389(4) .
C63 C72 1.462(4) .
C64 C65 1.439(4) .
C64 C73 1.454(4) .
C65 C66 1.470(4) .
C66 C67 1.378(4) .
C66 C74 1.449(4) .
C67 C68 1.435(4) .
C67 C77 1.465(4) .
C68 C69 1.471(4) .
C69 C70 1.376(4) .
C69 C78 1.460(4) .
C70 C79 1.441(4) .
C71 C78 1.396(4) 2_575
C71 C72 1.445(4) .
C72 C79 1.390(4) 2_575
C73 C80 1.385(4) 2_575
C73 C74 1.454(5) .
C74 C75 1.388(4) .
C75 C58 1.456(4) 2_575
C75 C76 1.459(4) .
C76 C77 1.383(4) .
C76 C60 1.451(4) 2_575
C77 C78 1.434(4) .
C78 C71 1.396(4) 2_575
C79 C72 1.390(4) 2_575
C79 C80 1.451(5) .
C80 C73 1.384(4) 2_575
C81 S2 1.532(5) .
C81 S1 1.563(5) .
C82 C112 1.513(4) .
C82 C97 1.526(3) .
C82 C128 1.532(3) .
C82 C83 1.688(3) .
C83 C115 1.518(4) .
C83 C99 1.532(3) .
C83 C84 1.533(3) .
C84 C85 1.383(4) .
C84 C98 1.399(3) .
C85 C86 1.428(3) .
C85 H25 0.9500 .
C86 C87 1.382(4) .
C86 H26 0.9500 .
C87 C243 1.403(4) .
C87 C88 1.496(3) .
C88 C89 1.377(4) .
C88 C93 1.428(4) .
C89 C90 1.394(4) .
C89 H27 0.9500 .
C90 C91 1.403(4) .
C90 H28 0.9500 .
C91 C92 1.384(4) .
C91 H29 0.9500 .
C92 C93 1.391(3) .
C92 H30 0.9500 .
C93 C94 1.484(3) .
C94 C95 1.381(4) .
C94 C243 1.402(3) .
C95 C96 1.446(3) .
C95 H31 0.9500 .
C96 C97 1.374(3) .
C96 H32 0.9500 .
C97 C98 1.406(3) .
C98 C243 1.371(3) .
C99 C100 1.385(3) .
C99 C113 1.398(4) .
C100 C101 1.445(4) .
C100 H33 0.9500 .
C101 C102 1.389(4) .
C101 H34 0.9500 .
C102 C114 1.410(3) .
C102 C103 1.481(4) .
C103 C104 1.390(3) .
C103 C108 1.433(4) .
C104 C105 1.377(4) .
C104 H35 0.9500 .
C105 C106 1.392(4) .
C105 H36 0.9500 .
C106 C107 1.401(3) .
C106 H37 0.9500 .
C107 C108 1.379(4) .
C107 H38 0.9500 .
C108 C109 1.486(3) .
C109 C110 1.379(3) .
C109 C114 1.395(4) .
C110 C111 1.441(4) .
C110 H39 0.9500 .
C111 C112 1.379(4) .
C111 H40 0.9500 .
C112 C113 1.404(3) .
C113 C114 1.379(4) .
C115 C116 1.383(4) .
C115 C129 1.406(3) .
C116 C117 1.437(3) .
C116 H41 0.9500 .
C117 C118 1.385(3) .
C117 H42 0.9500 .
C118 C130 1.403(4) .
C118 C119 1.488(3) .
C119 C120 1.382(4) .
C119 C124 1.425(4) .
C120 C121 1.394(3) .
C120 H43 0.9500 .
C121 C122 1.393(4) .
C121 H44 0.9500 .
C122 C123 1.386(4) .
C122 H45 0.9500 .
C123 C124 1.395(3) .
C123 H46 0.9500 .
C124 C125 1.484(4) .
C125 C126 1.374(4) .
C125 C130 1.417(3) .
C126 C127 1.431(4) .
C126 H47 0.9500 .
C127 C128 1.375(3) .
C127 H48 0.9500 .
C128 C129 1.397(4) .
C129 C130 1.374(3) .
C131 C178 1.520(4) .
C131 C162 1.523(3) .
C131 C146 1.540(3) .
C131 C132 1.697(4) .
C132 C133 1.518(4) .
C132 C149 1.520(3) .
C132 C165 1.520(3) .
C133 C134 1.365(4) .
C133 C147 1.411(4) .
C134 C135 1.442(4) .
C134 H49 0.9500 .
C135 C136 1.365(4) .
C135 H50 0.9500 .
C136 C148 1.420(4) .
C136 C137 1.478(4) .
C137 C138 1.400(5) .
C137 C142 1.427(5) .
C138 C139 1.388(4) .
C138 H51 0.9500 .
C139 C140 1.404(5) .
C139 H52 0.9500 .
C140 C141 1.389(5) .
C140 H53 0.9500 .
C141 C142 1.397(4) .
C141 H54 0.9500 .
C142 C143 1.498(4) .
C143 C144 1.372(4) .
C143 C148 1.401(4) .
C144 C145 1.453(4) .
C144 H55 0.9500 .
C145 C146 1.374(3) .
C145 H56 0.9500 .
C146 C147 1.400(4) .
C147 C148 1.374(4) .
C149 C150 1.380(4) .
C149 C163 1.409(4) .
C150 C151 1.425(3) .
C150 H57 0.9500 .
C151 C152 1.376(4) .
C151 H58 0.9500 .
C152 C164 1.404(4) .
C152 C153 1.495(3) .
C153 C154 1.387(3) .
C153 C158 1.431(4) .
C154 C155 1.400(4) .
C154 H59 0.9500 .
C155 C156 1.412(4) .
C155 H60 0.9500 .
C156 C157 1.366(4) .
C156 H61 0.9500 .
C157 C158 1.390(3) .
C157 H62 0.9500 .
C158 C159 1.485(3) .
C159 C160 1.359(4) .
C159 C164 1.423(4) .
C160 C161 1.439(3) .
C160 H63 0.9500 .
C161 C162 1.371(4) .
C161 H64 0.9500 .
C162 C163 1.406(4) .
C163 C164 1.365(3) .
C165 C166 1.389(3) .
C165 C179 1.394(4) .
C166 C167 1.434(4) .
C166 H65 0.9500 .
C167 C168 1.373(4) .
C167 H66 0.9500 .
C168 C180 1.414(3) .
C168 C169 1.477(4) .
C169 C170 1.398(3) .
C169 C174 1.435(4) .
C170 C171 1.354(4) .
C170 H67 0.9500 .
C171 C172 1.402(4) .
C171 H68 0.9500 .
C172 C173 1.395(3) .
C172 H69 0.9500 .
C173 C174 1.370(4) .
C173 H70 0.9500 .
C174 C175 1.487(3) .
C175 C176 1.387(3) .
C175 C180 1.399(4) .
C176 C177 1.432(4) .
C176 H71 0.9500 .
C177 C178 1.384(4) .
C177 H72 0.9500 .
C178 C179 1.415(3) .
C179 C180 1.369(4) .
C181 C186 1.324(7) .
C181 C185 1.458(8) .
C181 C182 1.514(7) .
C182 C189 1.378(6) .
C182 C183 1.449(6) .
C183 C192 1.324(5) .
C183 C184 1.487(7) .
C184 C195 1.400(7) .
C184 C185 1.404(7) .
C185 C198 1.423(7) .
C186 C187 1.453(8) .
C186 C200 1.542(8) .
C187 C188 1.373(7) .
C187 C201 1.426(7) .
C188 C189 1.453(6) .
C188 C204 1.468(7) .
C189 C190 1.445(5) .
C190 C191 1.385(5) .
C190 C205 1.435(5) .
C191 C208 1.442(5) .
C191 C192 1.450(5) .
C192 C193 1.532(6) .
C193 C194 1.286(7) .
C193 C209 1.473(6) .
C194 C195 1.439(7) .
C194 C212 1.474(7) .
C195 C196 1.494(8) .
C196 C197 1.337(6) .
C196 C213 1.375(7) .
C197 C198 1.465(7) .
C197 C216 1.515(6) .
C198 C199 1.442(6) .
C199 C200 1.347(7) .
C199 C217 1.454(6) .
C200 C220 1.391(7) .
C201 C202 1.345(7) .
C201 C220 1.466(7) .
C202 C203 1.452(7) .
C202 C222 1.497(7) .
C203 C204 1.391(7) .
C203 C224 1.397(7) .
C204 C205 1.485(6) .
C205 C206 1.379(7) .
C206 C207 1.423(6) .
C206 C225 1.486(6) .
C207 C208 1.415(5) .
C207 C227 1.461(6) .
C208 C209 1.413(5) .
C209 C210 1.395(6) .
C210 C228 1.402(6) .
C210 C211 1.460(7) .
C211 C212 1.340(6) .
C211 C230 1.453(6) .
C212 C213 1.460(7) .
C213 C214 1.418(7) .
C214 C231 1.434(6) .
C214 C215 1.484(6) .
C215 C216 1.339(6) .
C215 C233 1.441(5) .
C216 C217 1.420(6) .
C217 C218 1.408(5) .
C218 C219 1.405(6) .
C218 C234 1.444(5) .
C219 C220 1.397(6) .
C219 C221 1.477(6) .
C221 C222 1.293(6) .
C221 C235 1.512(6) .
C222 C223 1.448(7) .
C223 C237 1.392(6) .
C223 C224 1.494(7) .
C224 C225 1.360(6) .
C225 C226 1.454(7) .
C226 C238 1.432(7) .
C226 C227 1.445(6) .
C227 C228 1.342(6) .
C228 C229 1.531(7) .
C229 C239 1.338(5) .
C229 C230 1.436(6) .
C230 C231 1.389(6) .
C231 C232 1.462(5) .
C232 C240 1.369(5) .
C232 C233 1.458(5) .
C233 C234 1.383(5) .
C234 C235 1.446(4) .
C235 C236 1.333(5) .
C236 C240 1.410(5) .
C236 C237 1.494(6) .
C237 C238 1.402(6) .
C238 C239 1.432(7) .
C239 C240 1.505(6) .
C241 S4 1.538(4) .
C241 S3 1.543(4) .
C242 S6 1.533(3) .
C242 S5 1.541(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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C48 C1 C2 C19 124.46(19) . .
C32 C1 C2 C19 4.0(2) . .
C16 C1 C2 C19 -117.4(2) . .
C48 C1 C2 C3 -115.7(2) . .
C32 C1 C2 C3 123.82(19) . .
C16 C1 C2 C3 2.4(2) . .
C48 C1 C2 C35 3.0(2) . .
C32 C1 C2 C35 -117.49(19) . .
C16 C1 C2 C35 121.08(19) . .
C19 C2 C3 C4 -70.7(3) . .
C35 C2 C3 C4 66.2(4) . .
C1 C2 C3 C4 177.0(3) . .
C19 C2 C3 C17 110.9(2) . .
C35 C2 C3 C17 -112.3(2) . .
C1 C2 C3 C17 -1.4(2) . .
C17 C3 C4 C5 0.3(4) . .
C2 C3 C4 C5 -178.0(2) . .
C3 C4 C5 C6 1.2(4) . .
C4 C5 C6 C18 -1.3(4) . .
C4 C5 C6 C7 177.8(3) . .
C5 C6 C7 C8 0.6(5) . .
C18 C6 C7 C8 179.8(3) . .
C5 C6 C7 C12 -178.3(3) . .
C18 C6 C7 C12 1.0(3) . .
C12 C7 C8 C9 0.8(4) . .
C6 C7 C8 C9 -178.0(3) . .
C7 C8 C9 C10 0.0(4) . .
C8 C9 C10 C11 -1.2(5) . .
C9 C10 C11 C12 1.6(4) . .
C10 C11 C12 C7 -0.8(4) . .
C10 C11 C12 C13 178.2(3) . .
C8 C7 C12 C11 -0.4(4) . .
C6 C7 C12 C11 178.6(2) . .
C8 C7 C12 C13 -179.6(2) . .
C6 C7 C12 C13 -0.6(3) . .
C11 C12 C13 C14 0.3(5) . .
C7 C12 C13 C14 179.5(3) . .
C11 C12 C13 C18 -179.1(3) . .
C7 C12 C13 C18 0.0(3) . .
C18 C13 C14 C15 0.4(4) . .
C12 C13 C14 C15 -179.0(3) . .
C13 C14 C15 C16 -0.2(4) . .
C14 C15 C16 C17 0.1(3) . .
C14 C15 C16 C1 173.6(2) . .
C48 C1 C16 C15 -64.8(3) . .
C32 C1 C16 C15 70.9(4) . .
C2 C1 C16 C15 -176.6(2) . .
C48 C1 C16 C17 109.3(2) . .
C32 C1 C16 C17 -115.1(2) . .
C2 C1 C16 C17 -2.5(2) . .
C15 C16 C17 C18 -0.3(3) . .
C1 C16 C17 C18 -175.4(2) . .
C15 C16 C17 C3 177.1(2) . .
C1 C16 C17 C3 1.9(3) . .
C4 C3 C17 C18 -1.6(3) . .
C2 C3 C17 C18 177.2(2) . .
C4 C3 C17 C16 -179.0(2) . .
C2 C3 C17 C16 -0.2(3) . .
C16 C17 C18 C6 178.7(2) . .
C3 C17 C18 C6 1.4(4) . .
C16 C17 C18 C13 0.5(4) . .
C3 C17 C18 C13 -176.8(2) . .
C5 C6 C18 C17 0.1(4) . .
C7 C6 C18 C17 -179.4(2) . .
C5 C6 C18 C13 178.4(2) . .
C7 C6 C18 C13 -1.1(3) . .
C14 C13 C18 C17 -0.6(4) . .
C12 C13 C18 C17 179.0(2) . .
C14 C13 C18 C6 -178.9(2) . .
C12 C13 C18 C6 0.7(3) . .
C3 C2 C19 C20 62.0(3) . .
C35 C2 C19 C20 -73.6(4) . .
C1 C2 C19 C20 174.6(3) . .
C3 C2 C19 C33 -116.1(2) . .
C35 C2 C19 C33 108.2(2) . .
C1 C2 C19 C33 -3.6(3) . .
C33 C19 C20 C21 -1.3(4) . .
C2 C19 C20 C21 -179.3(2) . .
C19 C20 C21 C22 0.9(4) . .
C20 C21 C22 C34 -0.8(3) . .
C20 C21 C22 C23 176.4(3) . .
C21 C22 C23 C24 2.2(5) . .
C34 C22 C23 C24 179.6(3) . .
C21 C22 C23 C28 -177.0(3) . .
C34 C22 C23 C28 0.4(3) . .
C28 C23 C24 C25 2.6(4) . .
C22 C23 C24 C25 -176.6(2) . .
C23 C24 C25 C26 -1.0(4) . .
C24 C25 C26 C27 -0.5(4) . .
C25 C26 C27 C28 0.5(4) . .
C26 C27 C28 C23 1.1(4) . .
C26 C27 C28 C29 177.6(3) . .
C24 C23 C28 C27 -2.6(4) . .
C22 C23 C28 C27 176.7(2) . .
C24 C23 C28 C29 -179.9(2) . .
C22 C23 C28 C29 -0.5(3) . .
C27 C28 C29 C30 2.6(5) . .
C23 C28 C29 C30 179.4(3) . .
C27 C28 C29 C34 -176.3(3) . .
C23 C28 C29 C34 0.4(3) . .
C34 C29 C30 C31 2.9(3) . .
C28 C29 C30 C31 -176.0(3) . .
C29 C30 C31 C32 -0.7(4) . .
C30 C31 C32 C33 -2.0(4) . .
C30 C31 C32 C1 177.5(2) . .
C48 C1 C32 C31 64.6(3) . .
C16 C1 C32 C31 -70.2(4) . .
C2 C1 C32 C31 177.5(3) . .
C48 C1 C32 C33 -115.9(2) . .
C16 C1 C32 C33 109.3(2) . .
C2 C1 C32 C33 -3.0(2) . .
C20 C19 C33 C34 1.7(4) . .
C2 C19 C33 C34 -179.8(2) . .
C20 C19 C33 C32 -176.5(2) . .
C2 C19 C33 C32 2.0(3) . .
C31 C32 C33 C34 2.3(4) . .
C1 C32 C33 C34 -177.3(2) . .
C31 C32 C33 C19 -179.5(2) . .
C1 C32 C33 C19 0.9(3) . .
C19 C33 C34 C29 -178.2(2) . .
C32 C33 C34 C29 0.0(4) . .
C19 C33 C34 C22 -1.6(4) . .
C32 C33 C34 C22 176.5(2) . .
C30 C29 C34 C33 -2.6(4) . .
C28 C29 C34 C33 176.6(2) . .
C30 C29 C34 C22 -179.4(2) . .
C28 C29 C34 C22 -0.2(3) . .
C21 C22 C34 C33 1.1(4) . .
C23 C22 C34 C33 -177.0(2) . .
C21 C22 C34 C29 177.9(2) . .
C23 C22 C34 C29 -0.1(3) . .
C19 C2 C35 C36 63.8(4) . .
C3 C2 C35 C36 -72.1(3) . .
C1 C2 C35 C36 176.2(3) . .
C19 C2 C35 C49 -115.4(2) . .
C3 C2 C35 C49 108.6(2) . .
C1 C2 C35 C49 -3.0(2) . .
C49 C35 C36 C37 -1.6(4) . .
C2 C35 C36 C37 179.2(2) . .
C35 C36 C37 C38 0.8(4) . .
C36 C37 C38 C50 0.1(4) . .
C36 C37 C38 C39 178.5(3) . .
C37 C38 C39 C40 0.5(5) . .
C50 C38 C39 C40 179.0(3) . .
C37 C38 C39 C44 -178.5(3) . .
C50 C38 C39 C44 0.1(3) . .
C44 C39 C40 C41 0.2(4) . .
C38 C39 C40 C41 -178.6(2) . .
C39 C40 C41 C42 -0.4(4) . .
C40 C41 C42 C43 0.3(4) . .
C41 C42 C43 C44 -0.1(4) . .
C42 C43 C44 C39 -0.1(4) . .
C42 C43 C44 C45 178.4(2) . .
C40 C39 C44 C43 0.0(4) . .
C38 C39 C44 C43 179.1(2) . .
C40 C39 C44 C45 -178.8(2) . .
C38 C39 C44 C45 0.3(3) . .
C43 C44 C45 C46 0.7(5) . .
C39 C44 C45 C46 179.3(3) . .
C43 C44 C45 C50 -179.2(2) . .
C39 C44 C45 C50 -0.6(3) . .
C50 C45 C46 C47 1.5(3) . .
C44 C45 C46 C47 -178.4(3) . .
C45 C46 C47 C48 -1.1(4) . .
C46 C47 C48 C49 -0.1(4) . .
C46 C47 C48 C1 179.6(2) . .
C32 C1 C48 C47 -69.0(3) . .
C16 C1 C48 C47 67.2(4) . .
C2 C1 C48 C47 178.5(3) . .
C32 C1 C48 C49 110.7(2) . .
C16 C1 C48 C49 -113.1(2) . .
C2 C1 C48 C49 -1.9(2) . .
C36 C35 C49 C50 1.7(4) . .
C2 C35 C49 C50 -179.0(2) . .
C36 C35 C49 C48 -177.2(2) . .
C2 C35 C49 C48 2.2(3) . .
C47 C48 C49 C50 0.8(4) . .
C1 C48 C49 C50 -178.9(2) . .
C47 C48 C49 C35 179.7(2) . .
C1 C48 C49 C35 -0.1(3) . .
C35 C49 C50 C45 -179.2(2) . .
C48 C49 C50 C45 -0.4(4) . .
C35 C49 C50 C38 -0.9(4) . .
C48 C49 C50 C38 177.9(2) . .
C46 C45 C50 C49 -0.8(4) . .
C44 C45 C50 C49 179.1(2) . .
C46 C45 C50 C38 -179.3(2) . .
C44 C45 C50 C38 0.7(3) . .
C37 C38 C50 C49 0.0(4) . .
C39 C38 C50 C49 -178.9(2) . .
C37 C38 C50 C45 178.4(2) . .
C39 C38 C50 C45 -0.5(3) . .
C59 C51 C52 C62 -0.8(4) . .
C55 C51 C52 C62 -143.0(2) . .
C59 C51 C52 C53 142.3(2) . .
C55 C51 C52 C53 0.1(3) . .
C62 C52 C53 C65 -0.8(3) . .
C51 C52 C53 C65 -143.3(2) . .
C62 C52 C53 C54 142.4(2) . .
C51 C52 C53 C54 -0.1(3) . .
C65 C53 C54 C68 -0.4(4) . .
C52 C53 C54 C68 -142.9(3) . .
C65 C53 C54 C55 142.6(3) . .
C52 C53 C54 C55 0.1(3) . .
C68 C54 C55 C56 1.0(4) . .
C53 C54 C55 C56 -142.2(3) . .
C68 C54 C55 C51 143.1(3) . .
C53 C54 C55 C51 -0.1(3) . .
C59 C51 C55 C56 0.1(4) . .
C52 C51 C55 C56 142.6(2) . .
C59 C51 C55 C54 -142.5(2) . .
C52 C51 C55 C54 0.0(3) . .
C54 C55 C56 C57 137.4(3) . .
C51 C55 C56 C57 -0.2(4) . .
C54 C55 C56 C70 -0.6(4) . .
C51 C55 C56 C70 -138.1(3) . .
C55 C56 C57 C58 0.1(4) . .
C70 C56 C57 C58 142.3(2) . .
C55 C56 C57 C80 -142.3(2) . .
C70 C56 C57 C80 -0.1(3) . .
C56 C57 C58 C75 -138.1(3) . 2_575
C80 C57 C58 C75 0.2(4) . 2_575
C56 C57 C58 C59 0.0(4) . .
C80 C57 C58 C59 138.3(3) . .
C52 C51 C59 C60 0.1(4) . .
C55 C51 C59 C60 137.9(2) . .
C52 C51 C59 C58 -137.8(2) . .
C55 C51 C59 C58 0.0(4) . .
C57 C58 C59 C51 -0.1(4) . .
C75 C58 C59 C51 142.5(3) 2_575 .
C57 C58 C59 C60 -142.7(3) . .
C75 C58 C59 C60 -0.1(3) 2_575 .
C51 C59 C60 C61 0.1(4) . .
C58 C59 C60 C61 142.6(2) . .
C51 C59 C60 C76 -142.0(2) . 2_575
C58 C59 C60 C76 0.5(3) . 2_575
C76 C60 C61 C71 -0.5(4) 2_575 .
C59 C60 C61 C71 -138.4(3) . .
C76 C60 C61 C62 138.4(3) 2_575 .
C59 C60 C61 C62 0.4(3) . .
C51 C52 C62 C61 1.3(4) . .
C53 C52 C62 C61 -137.0(2) . .
C51 C52 C62 C63 138.3(2) . .
C53 C52 C62 C63 -0.1(3) . .
C60 C61 C62 C52 -1.1(4) . .
C71 C61 C62 C52 142.0(2) . .
C60 C61 C62 C63 -142.7(2) . .
C71 C61 C62 C63 0.4(3) . .
C52 C62 C63 C64 0.4(3) . .
C61 C62 C63 C64 142.2(2) . .
C52 C62 C63 C72 -142.4(2) . .
C61 C62 C63 C72 -0.5(3) . .
C62 C63 C64 C65 0.2(3) . .
C72 C63 C64 C65 138.7(2) . .
C62 C63 C64 C73 -138.8(2) . .
C72 C63 C64 C73 -0.3(4) . .
C54 C53 C65 C64 -137.4(3) . .
C52 C53 C65 C64 1.4(3) . .
C54 C53 C65 C66 0.1(4) . .
C52 C53 C65 C66 138.9(3) . .
C63 C64 C65 C53 -1.1(4) . .
C73 C64 C65 C53 141.8(2) . .
C63 C64 C65 C66 -142.8(2) . .
C73 C64 C65 C66 0.1(3) . .
C53 C65 C66 C67 -0.1(4) . .
C64 C65 C66 C67 142.6(3) . .
C53 C65 C66 C74 -142.8(3) . .
C64 C65 C66 C74 -0.2(3) . .
C74 C66 C67 C68 138.3(3) . .
C65 C66 C67 C68 0.3(4) . .
C74 C66 C67 C77 -0.2(4) . .
C65 C66 C67 C77 -138.2(3) . .
C53 C54 C68 C67 0.7(4) . .
C55 C54 C68 C67 -138.1(3) . .
C53 C54 C68 C69 137.8(3) . .
C55 C54 C68 C69 -1.0(4) . .
C66 C67 C68 C54 -0.6(4) . .
C77 C67 C68 C54 142.3(3) . .
C66 C67 C68 C69 -141.8(3) . .
C77 C67 C68 C69 1.1(4) . .
C54 C68 C69 C70 0.6(4) . .
C67 C68 C69 C70 142.4(3) . .
C54 C68 C69 C78 -143.0(3) . .
C67 C68 C69 C78 -1.3(4) . .
C78 C69 C70 C79 0.5(4) . .
C68 C69 C70 C79 -138.5(3) . .
C78 C69 C70 C56 138.7(3) . .
C68 C69 C70 C56 -0.3(4) . .
C55 C56 C70 C69 0.3(4) . .
C57 C56 C70 C69 -142.5(3) . .
C55 C56 C70 C79 143.1(3) . .
C57 C56 C70 C79 0.4(3) . .
C60 C61 C71 C78 -0.3(4) . 2_575
C62 C61 C71 C78 -143.5(3) . 2_575
C60 C61 C71 C72 143.0(3) . .
C62 C61 C71 C72 -0.2(3) . .
C78 C71 C72 C79 1.1(4) 2_575 2_575
C61 C71 C72 C79 -141.8(3) . 2_575
C78 C71 C72 C63 142.8(3) 2_575 .
C61 C71 C72 C63 -0.1(3) . .
C64 C63 C72 C79 -0.4(4) . 2_575
C62 C63 C72 C79 142.2(2) . 2_575
C64 C63 C72 C71 -142.2(2) . .
C62 C63 C72 C71 0.4(3) . .
C63 C64 C73 C80 0.6(4) . 2_575
C65 C64 C73 C80 -142.5(3) . 2_575
C63 C64 C73 C74 143.1(3) . .
C65 C64 C73 C74 0.1(3) . .
C67 C66 C74 C75 0.4(4) . .
C65 C66 C74 C75 143.0(3) . .
C67 C66 C74 C73 -142.3(3) . .
C65 C66 C74 C73 0.2(3) . .
C80 C73 C74 C75 -0.2(4) 2_575 .
C64 C73 C74 C75 -143.1(2) . .
C80 C73 C74 C66 142.7(2) 2_575 .
C64 C73 C74 C66 -0.2(3) . .
C66 C74 C75 C58 -138.4(3) . 2_575
C73 C74 C75 C58 0.2(4) . 2_575
C66 C74 C75 C76 -0.7(4) . .
C73 C74 C75 C76 137.9(3) . .
C74 C75 C76 C77 0.8(4) . .
C58 C75 C76 C77 143.1(3) 2_575 .
C74 C75 C76 C60 -143.0(3) . 2_575
C58 C75 C76 C60 -0.6(3) 2_575 2_575
C60 C76 C77 C78 0.7(4) 2_575 .
C75 C76 C77 C78 -138.6(3) . .
C60 C76 C77 C67 138.7(3) 2_575 .
C75 C76 C77 C67 -0.5(4) . .
C66 C67 C77 C76 0.3(4) . .
C68 C67 C77 C76 -142.8(3) . .
C66 C67 C77 C78 142.6(3) . .
C68 C67 C77 C78 -0.5(4) . .
C76 C77 C78 C71 0.2(4) . 2_575
C67 C77 C78 C71 -142.0(3) . 2_575
C76 C77 C78 C69 141.8(3) . .
C67 C77 C78 C69 -0.3(3) . .
C70 C69 C78 C71 -0.4(4) . 2_575
C68 C69 C78 C71 143.5(3) . 2_575
C70 C69 C78 C77 -142.8(3) . .
C68 C69 C78 C77 1.0(3) . .
C69 C70 C79 C72 -1.0(4) . 2_575
C56 C70 C79 C72 -143.6(3) . 2_575
C69 C70 C79 C80 142.2(3) . .
C56 C70 C79 C80 -0.5(3) . .
C72 C79 C80 C73 0.5(4) 2_575 2_575
C70 C79 C80 C73 -142.6(2) . 2_575
C72 C79 C80 C57 143.5(2) 2_575 .
C70 C79 C80 C57 0.4(3) . .
C58 C57 C80 C73 -0.2(4) . 2_575
C56 C57 C80 C73 142.5(3) . 2_575
C58 C57 C80 C79 -142.9(3) . .
C56 C57 C80 C79 -0.2(3) . .
C112 C82 C83 C115 -115.2(2) . .
C97 C82 C83 C115 124.72(19) . .
C128 C82 C83 C115 3.2(2) . .
C112 C82 C83 C99 4.5(2) . .
C97 C82 C83 C99 -115.59(19) . .
C128 C82 C83 C99 122.89(19) . .
C112 C82 C83 C84 125.10(19) . .
C97 C82 C83 C84 5.0(2) . .
C128 C82 C83 C84 -116.5(2) . .
C115 C83 C84 C85 63.3(4) . .
C99 C83 C84 C85 -73.1(4) . .
C82 C83 C84 C85 175.5(3) . .
C115 C83 C84 C98 -116.3(2) . .
C99 C83 C84 C98 107.3(2) . .
C82 C83 C84 C98 -4.1(2) . .
C98 C84 C85 C86 -0.3(4) . .
C83 C84 C85 C86 -179.9(2) . .
C84 C85 C86 C87 -0.1(4) . .
C85 C86 C87 C243 -0.7(4) . .
C85 C86 C87 C88 178.1(3) . .
C86 C87 C88 C89 0.2(5) . .
C243 C87 C88 C89 179.2(3) . .
C86 C87 C88 C93 -179.1(3) . .
C243 C87 C88 C93 -0.2(3) . .
C93 C88 C89 C90 0.7(4) . .
C87 C88 C89 C90 -178.5(3) . .
C88 C89 C90 C91 -0.3(4) . .
C89 C90 C91 C92 0.0(4) . .
C90 C91 C92 C93 -0.1(4) . .
C91 C92 C93 C88 0.6(4) . .
C91 C92 C93 C94 179.2(3) . .
C89 C88 C93 C92 -0.9(4) . .
C87 C88 C93 C92 178.5(2) . .
C89 C88 C93 C94 -179.8(2) . .
C87 C88 C93 C94 -0.4(3) . .
C92 C93 C94 C95 0.6(5) . .
C88 C93 C94 C95 179.4(3) . .
C92 C93 C94 C243 -178.0(3) . .
C88 C93 C94 C243 0.8(3) . .
C243 C94 C95 C96 2.5(4) . .
C93 C94 C95 C96 -175.9(3) . .
C94 C95 C96 C97 -0.5(4) . .
C95 C96 C97 C98 -2.2(4) . .
C95 C96 C97 C82 178.4(2) . .
C112 C82 C97 C96 62.4(3) . .
C128 C82 C97 C96 -72.4(4) . .
C83 C82 C97 C96 175.3(3) . .
C112 C82 C97 C98 -117.1(2) . .
C128 C82 C97 C98 108.2(2) . .
C83 C82 C97 C98 -4.2(2) . .
C85 C84 C98 C243 1.5(4) . .
C83 C84 C98 C243 -178.8(2) . .
C85 C84 C98 C97 -178.0(2) . .
C83 C84 C98 C97 1.7(3) . .
C96 C97 C98 C243 2.8(4) . .
C82 C97 C98 C243 -177.6(2) . .
C96 C97 C98 C84 -177.7(2) . .
C82 C97 C98 C84 1.8(3) . .
C115 C83 C99 C100 -70.5(3) . .
C84 C83 C99 C100 65.9(4) . .
C82 C83 C99 C100 177.5(3) . .
C115 C83 C99 C113 108.3(2) . .
C84 C83 C99 C113 -115.3(2) . .
C82 C83 C99 C113 -3.7(2) . .
C113 C99 C100 C101 0.1(3) . .
C83 C99 C100 C101 178.8(2) . .
C99 C100 C101 C102 -0.4(4) . .
C100 C101 C102 C114 0.2(3) . .
C100 C101 C102 C103 179.7(3) . .
C101 C102 C103 C104 -1.7(5) . .
C114 C102 C103 C104 177.9(3) . .
C101 C102 C103 C108 179.4(3) . .
C114 C102 C103 C108 -1.1(3) . .
C108 C103 C104 C105 -0.4(4) . .
C102 C103 C104 C105 -179.3(2) . .
C103 C104 C105 C106 0.0(4) . .
C104 C105 C106 C107 0.3(4) . .
C105 C106 C107 C108 -0.1(4) . .
C106 C107 C108 C103 -0.3(4) . .
C106 C107 C108 C109 178.3(2) . .
C104 C103 C108 C107 0.5(4) . .
C102 C103 C108 C107 179.6(2) . .
C104 C103 C108 C109 -178.3(2) . .
C102 C103 C108 C109 0.8(3) . .
C107 C108 C109 C110 1.1(5) . .
C103 C108 C109 C110 179.8(3) . .
C107 C108 C109 C114 -178.8(3) . .
C103 C108 C109 C114 -0.1(3) . .
C114 C109 C110 C111 0.9(3) . .
C108 C109 C110 C111 -179.1(3) . .
C109 C110 C111 C112 -0.1(4) . .
C110 C111 C112 C113 -1.3(4) . .
C110 C111 C112 C82 178.9(2) . .
C97 C82 C112 C111 -71.4(3) . .
C128 C82 C112 C111 64.8(4) . .
C83 C82 C112 C111 176.1(3) . .
C97 C82 C112 C113 108.8(2) . .
C128 C82 C112 C113 -115.0(2) . .
C83 C82 C112 C113 -3.8(2) . .
C100 C99 C113 C114 0.4(4) . .
C83 C99 C113 C114 -178.7(2) . .
C100 C99 C113 C112 -179.4(2) . .
C83 C99 C113 C112 1.6(3) . .
C111 C112 C113 C114 2.1(4) . .
C82 C112 C113 C114 -178.1(2) . .
C111 C112 C113 C99 -178.2(2) . .
C82 C112 C113 C99 1.6(3) . .
C99 C113 C114 C109 178.9(2) . .
C112 C113 C114 C109 -1.4(4) . .
C99 C113 C114 C102 -0.6(4) . .
C112 C113 C114 C102 179.1(2) . .
C110 C109 C114 C113 -0.1(4) . .
C108 C109 C114 C113 179.8(2) . .
C110 C109 C114 C102 179.4(2) . .
C108 C109 C114 C102 -0.6(3) . .
C101 C102 C114 C113 0.3(4) . .
C103 C102 C114 C113 -179.4(2) . .
C101 C102 C114 C109 -179.3(2) . .
C103 C102 C114 C109 1.1(3) . .
C99 C83 C115 C116 64.1(4) . .
C84 C83 C115 C116 -72.8(3) . .
C82 C83 C115 C116 175.4(3) . .
C99 C83 C115 C129 -113.4(2) . .
C84 C83 C115 C129 109.7(2) . .
C82 C83 C115 C129 -2.1(2) . .
C129 C115 C116 C117 0.5(4) . .
C83 C115 C116 C117 -176.8(2) . .
C115 C116 C117 C118 0.6(4) . .
C116 C117 C118 C130 -1.1(3) . .
C116 C117 C118 C119 177.6(3) . .
C117 C118 C119 C120 0.4(5) . .
C130 C118 C119 C120 179.2(3) . .
C117 C118 C119 C124 -178.2(3) . .
C130 C118 C119 C124 0.6(3) . .
C124 C119 C120 C121 0.0(4) . .
C118 C119 C120 C121 -178.5(3) . .
C119 C120 C121 C122 0.4(4) . .
C120 C121 C122 C123 -0.5(4) . .
C121 C122 C123 C124 0.3(4) . .
C122 C123 C124 C119 0.1(4) . .
C122 C123 C124 C125 178.4(3) . .
C120 C119 C124 C123 -0.2(4) . .
C118 C119 C124 C123 178.6(2) . .
C120 C119 C124 C125 -178.8(2) . .
C118 C119 C124 C125 0.0(3) . .
C123 C124 C125 C126 0.2(5) . .
C119 C124 C125 C126 178.6(3) . .
C123 C124 C125 C130 -179.0(3) . .
C119 C124 C125 C130 -0.6(3) . .
C130 C125 C126 C127 0.4(4) . .
C124 C125 C126 C127 -178.7(3) . .
C125 C126 C127 C128 0.8(4) . .
C126 C127 C128 C129 -1.6(4) . .
C126 C127 C128 C82 172.9(2) . .
C112 C82 C128 C127 -66.1(3) . .
C97 C82 C128 C127 69.2(4) . .
C83 C82 C128 C127 -178.1(2) . .
C112 C82 C128 C129 108.7(2) . .
C97 C82 C128 C129 -115.9(2) . .
C83 C82 C128 C129 -3.2(2) . .
C127 C128 C129 C130 1.2(4) . .
C82 C128 C129 C130 -174.6(2) . .
C127 C128 C129 C115 178.1(2) . .
C82 C128 C129 C115 2.3(3) . .
C116 C115 C129 C130 -1.1(3) . .
C83 C115 C129 C130 176.9(2) . .
C116 C115 C129 C128 -178.0(2) . .
C83 C115 C129 C128 0.0(3) . .
C128 C129 C130 C118 177.4(2) . .
C115 C129 C130 C118 0.6(4) . .
C128 C129 C130 C125 0.0(4) . .
C115 C129 C130 C125 -176.8(2) . .
C117 C118 C130 C129 0.5(4) . .
C119 C118 C130 C129 -178.6(2) . .
C117 C118 C130 C125 178.1(2) . .
C119 C118 C130 C125 -1.0(3) . .
C126 C125 C130 C129 -0.8(4) . .
C124 C125 C130 C129 178.6(2) . .
C126 C125 C130 C118 -178.4(2) . .
C124 C125 C130 C118 1.0(3) . .
C178 C131 C132 C133 115.9(2) . .
C162 C131 C132 C133 -122.7(2) . .
C146 C131 C132 C133 -3.7(2) . .
C178 C131 C132 C149 -124.5(2) . .
C162 C131 C132 C149 -3.0(2) . .
C146 C131 C132 C149 115.9(2) . .
C178 C131 C132 C165 -2.8(2) . .
C162 C131 C132 C165 118.7(2) . .
C146 C131 C132 C165 -122.4(2) . .
C149 C132 C133 C134 70.3(4) . .
C165 C132 C133 C134 -66.1(4) . .
C131 C132 C133 C134 -177.5(3) . .
C149 C132 C133 C147 -109.0(2) . .
C165 C132 C133 C147 114.7(2) . .
C131 C132 C133 C147 3.3(3) . .
C147 C133 C134 C135 1.4(4) . .
C132 C133 C134 C135 -177.7(3) . .
C133 C134 C135 C136 0.7(4) . .
C134 C135 C136 C148 -2.6(4) . .
C134 C135 C136 C137 -179.8(3) . .
C135 C136 C137 C138 -4.1(5) . .
C148 C136 C137 C138 178.4(3) . .
C135 C136 C137 C142 177.7(3) . .
C148 C136 C137 C142 0.2(3) . .
C142 C137 C138 C139 -1.5(4) . .
C136 C137 C138 C139 -179.5(3) . .
C137 C138 C139 C140 -0.5(4) . .
C138 C139 C140 C141 2.1(5) . .
C139 C140 C141 C142 -1.6(4) . .
C140 C141 C142 C137 -0.3(4) . .
C140 C141 C142 C143 179.9(3) . .
C138 C137 C142 C141 1.9(4) . .
C136 C137 C142 C141 -179.7(2) . .
C138 C137 C142 C143 -178.2(2) . .
C136 C137 C142 C143 0.1(3) . .
C141 C142 C143 C144 -1.6(6) . .
C137 C142 C143 C144 178.6(3) . .
C141 C142 C143 C148 179.4(3) . .
C137 C142 C143 C148 -0.4(3) . .
C148 C143 C144 C145 -0.5(4) . .
C142 C143 C144 C145 -179.4(3) . .
C143 C144 C145 C146 0.1(4) . .
C144 C145 C146 C147 0.4(4) . .
C144 C145 C146 C131 -179.9(3) . .
C178 C131 C146 C145 71.4(4) . .
C162 C131 C146 C145 -65.7(4) . .
C132 C131 C146 C145 -176.9(3) . .
C178 C131 C146 C147 -108.9(3) . .
C162 C131 C146 C147 114.0(3) . .
C132 C131 C146 C147 2.9(2) . .
C145 C146 C147 C148 -0.6(4) . .
C131 C146 C147 C148 179.6(2) . .
C145 C146 C147 C133 178.8(2) . .
C131 C146 C147 C133 -1.0(3) . .
C134 C133 C147 C148 -1.7(4) . .
C132 C133 C147 C148 177.7(2) . .
C134 C133 C147 C146 178.9(2) . .
C132 C133 C147 C146 -1.7(3) . .
C146 C147 C148 C143 0.2(4) . .
C133 C147 C148 C143 -179.2(2) . .
C146 C147 C148 C136 179.1(2) . .
C133 C147 C148 C136 -0.2(4) . .
C144 C143 C148 C147 0.3(4) . .
C142 C143 C148 C147 179.6(2) . .
C144 C143 C148 C136 -178.7(2) . .
C142 C143 C148 C136 0.6(3) . .
C135 C136 C148 C147 2.4(4) . .
C137 C136 C148 C147 -179.5(2) . .
C135 C136 C148 C143 -178.6(2) . .
C137 C136 C148 C143 -0.5(3) . .
C133 C132 C149 C150 -71.5(4) . .
C165 C132 C149 C150 63.5(4) . .
C131 C132 C149 C150 176.0(3) . .
C133 C132 C149 C163 112.8(3) . .
C165 C132 C149 C163 -112.2(3) . .
C131 C132 C149 C163 0.3(3) . .
C163 C149 C150 C151 0.1(4) . .
C132 C149 C150 C151 -175.3(3) . .
C149 C150 C151 C152 -2.1(4) . .
C150 C151 C152 C164 1.8(4) . .
C150 C151 C152 C153 174.2(3) . .
C151 C152 C153 C154 7.0(6) . .
C164 C152 C153 C154 179.9(3) . .
C151 C152 C153 C158 -172.0(3) . .
C164 C152 C153 C158 1.0(3) . .
C158 C153 C154 C155 0.5(4) . .
C152 C153 C154 C155 -178.3(3) . .
C153 C154 C155 C156 -0.3(4) . .
C154 C155 C156 C157 -0.5(4) . .
C155 C156 C157 C158 1.1(4) . .
C156 C157 C158 C153 -0.9(4) . .
C156 C157 C158 C159 177.4(2) . .
C154 C153 C158 C157 0.1(4) . .
C152 C153 C158 C157 179.2(2) . .
C154 C153 C158 C159 -178.6(2) . .
C152 C153 C158 C159 0.5(3) . .
C157 C158 C159 C160 -7.4(5) . .
C153 C158 C159 C160 171.1(3) . .
C157 C158 C159 C164 179.7(3) . .
C153 C158 C159 C164 -1.8(3) . .
C164 C159 C160 C161 -0.7(4) . .
C158 C159 C160 C161 -173.0(3) . .
C159 C160 C161 C162 -0.2(4) . .
C160 C161 C162 C163 1.7(4) . .
C160 C161 C162 C131 179.5(2) . .
C178 C131 C162 C161 -60.6(4) . .
C146 C131 C162 C161 75.8(4) . .
C132 C131 C162 C161 -173.3(3) . .
C178 C131 C162 C163 117.3(2) . .
C146 C131 C162 C163 -106.3(3) . .
C132 C131 C162 C163 4.6(3) . .
C161 C162 C163 C164 -2.4(4) . .
C131 C162 C163 C164 179.3(2) . .
C161 C162 C163 C149 173.2(2) . .
C131 C162 C163 C149 -5.1(3) . .
C150 C149 C163 C164 2.0(4) . .
C132 C149 C163 C164 178.6(2) . .
C150 C149 C163 C162 -173.6(2) . .
C132 C149 C163 C162 2.9(3) . .
C162 C163 C164 C152 173.2(2) . .
C149 C163 C164 C152 -2.3(4) . .
C162 C163 C164 C159 1.5(4) . .
C149 C163 C164 C159 -173.9(2) . .
C151 C152 C164 C163 0.3(4) . .
C153 C152 C164 C163 -174.5(2) . .
C151 C152 C164 C159 172.5(2) . .
C153 C152 C164 C159 -2.3(3) . .
C160 C159 C164 C163 0.1(4) . .
C158 C159 C164 C163 174.9(2) . .
C160 C159 C164 C152 -172.2(2) . .
C158 C159 C164 C152 2.6(3) . .
C133 C132 C165 C166 68.1(4) . .
C149 C132 C165 C166 -67.3(4) . .
C131 C132 C165 C166 179.9(3) . .
C133 C132 C165 C179 -108.7(3) . .
C149 C132 C165 C179 115.8(3) . .
C131 C132 C165 C179 3.1(2) . .
C179 C165 C166 C167 2.3(4) . .
C132 C165 C166 C167 -174.3(2) . .
C165 C166 C167 C168 -1.0(4) . .
C166 C167 C168 C180 -1.2(4) . .
C166 C167 C168 C169 -179.4(3) . .
C167 C168 C169 C170 -4.2(5) . .
C180 C168 C169 C170 177.5(3) . .
C167 C168 C169 C174 178.2(3) . .
C180 C168 C169 C174 -0.2(3) . .
C174 C169 C170 C171 -1.3(4) . .
C168 C169 C170 C171 -178.7(3) . .
C169 C170 C171 C172 -0.1(4) . .
C170 C171 C172 C173 1.0(5) . .
C171 C172 C173 C174 -0.6(4) . .
C172 C173 C174 C169 -0.8(4) . .
C172 C173 C174 C175 177.8(3) . .
C170 C169 C174 C173 1.7(4) . .
C168 C169 C174 C173 179.7(2) . .
C170 C169 C174 C175 -177.2(2) . .
C168 C169 C174 C175 0.8(3) . .
C173 C174 C175 C176 -0.3(5) . .
C169 C174 C175 C176 178.3(3) . .
C173 C174 C175 C180 -179.8(3) . .
C169 C174 C175 C180 -1.1(3) . .
C180 C175 C176 C177 0.8(4) . .
C174 C175 C176 C177 -178.5(3) . .
C175 C176 C177 C178 -1.0(4) . .
C176 C177 C178 C179 0.3(4) . .
C176 C177 C178 C131 178.4(3) . .
C162 C131 C178 C177 70.9(4) . .
C146 C131 C178 C177 -65.3(4) . .
C132 C131 C178 C177 -176.7(3) . .
C162 C131 C178 C179 -110.9(2) . .
C146 C131 C178 C179 112.9(2) . .
C132 C131 C178 C179 1.5(2) . .
C166 C165 C179 C180 -1.4(4) . .
C132 C165 C179 C180 176.0(2) . .
C166 C165 C179 C178 -180.0(2) . .
C132 C165 C179 C178 -2.5(3) . .
C177 C178 C179 C180 0.5(3) . .
C131 C178 C179 C180 -178.1(2) . .
C177 C178 C179 C165 179.1(2) . .
C131 C178 C179 C165 0.5(3) . .
C165 C179 C180 C175 -179.2(2) . .
C178 C179 C180 C175 -0.7(4) . .
C165 C179 C180 C168 -0.7(4) . .
C178 C179 C180 C168 177.7(2) . .
C176 C175 C180 C179 0.0(4) . .
C174 C175 C180 C179 179.6(2) . .
C176 C175 C180 C168 -178.5(2) . .
C174 C175 C180 C168 1.0(3) . .
C167 C168 C180 C179 2.1(4) . .
C169 C168 C180 C179 -179.2(2) . .
C167 C168 C180 C175 -179.3(2) . .
C169 C168 C180 C175 -0.6(3) . .
C186 C181 C182 C189 1.4(7) . .
C185 C181 C182 C189 -141.8(5) . .
C186 C181 C182 C183 143.6(4) . .
C185 C181 C182 C183 0.4(4) . .
C189 C182 C183 C192 -1.0(6) . .
C181 C182 C183 C192 -143.5(4) . .
C189 C182 C183 C184 141.8(4) . .
C181 C182 C183 C184 -0.6(4) . .
C192 C183 C184 C195 -0.6(5) . .
C182 C183 C184 C195 -143.7(4) . .
C192 C183 C184 C185 143.8(4) . .
C182 C183 C184 C185 0.6(4) . .
C195 C184 C185 C198 -0.6(6) . .
C183 C184 C185 C198 -142.4(4) . .
C195 C184 C185 C181 141.4(5) . .
C183 C184 C185 C181 -0.3(5) . .
C186 C181 C185 C184 -140.5(5) . .
C182 C181 C185 C184 0.0(5) . .
C186 C181 C185 C198 0.8(7) . .
C182 C181 C185 C198 141.3(4) . .
C185 C181 C186 C187 136.2(6) . .
C182 C181 C186 C187 -1.0(7) . .
C185 C181 C186 C200 -3.1(6) . .
C182 C181 C186 C200 -140.3(5) . .
C181 C186 C187 C188 0.2(8) . .
C200 C186 C187 C188 142.3(4) . .
C181 C186 C187 C201 -143.3(5) . .
C200 C186 C187 C201 -1.1(5) . .
C201 C187 C188 C189 137.9(5) . .
C186 C187 C188 C189 0.2(7) . .
C201 C187 C188 C204 0.5(7) . .
C186 C187 C188 C204 -137.1(5) . .
C183 C182 C189 C190 1.1(6) . .
C181 C182 C189 C190 137.6(4) . .
C183 C182 C189 C188 -137.7(4) . .
C181 C182 C189 C188 -1.1(6) . .
C187 C188 C189 C182 0.3(7) . .
C204 C188 C189 C182 142.3(4) . .
C187 C188 C189 C190 -141.6(5) . .
C204 C188 C189 C190 0.5(5) . .
C182 C189 C190 C191 -0.6(6) . .
C188 C189 C190 C191 141.2(4) . .
C182 C189 C190 C205 -143.3(4) . .
C188 C189 C190 C205 -1.5(5) . .
C205 C190 C191 C208 -1.6(6) . .
C189 C190 C191 C208 -138.6(4) . .
C205 C190 C191 C192 137.2(4) . .
C189 C190 C191 C192 0.2(5) . .
C182 C183 C192 C191 0.6(6) . .
C184 C183 C192 C191 -138.5(4) . .
C182 C183 C192 C193 137.6(4) . .
C184 C183 C192 C193 -1.5(5) . .
C190 C191 C192 C183 -0.1(6) . .
C208 C191 C192 C183 142.4(4) . .
C190 C191 C192 C193 -142.9(3) . .
C208 C191 C192 C193 -0.4(4) . .
C183 C192 C193 C194 1.6(5) . .
C191 C192 C193 C194 144.4(4) . .
C183 C192 C193 C209 -142.5(3) . .
C191 C192 C193 C209 0.3(4) . .
C209 C193 C194 C195 138.6(4) . .
C192 C193 C194 C195 0.4(6) . .
C209 C193 C194 C212 -1.3(6) . .
C192 C193 C194 C212 -139.6(4) . .
C185 C184 C195 C194 -136.2(4) . .
C183 C184 C195 C194 2.6(6) . .
C185 C184 C195 C196 -0.1(6) . .
C183 C184 C195 C196 138.6(4) . .
C193 C194 C195 C184 -2.5(6) . .
C212 C194 C195 C184 139.9(4) . .
C193 C194 C195 C196 -143.6(4) . .
C212 C194 C195 C196 -1.1(4) . .
C184 C195 C196 C197 2.3(6) . .
C194 C195 C196 C197 144.9(4) . .
C184 C195 C196 C213 -142.5(4) . .
C194 C195 C196 C213 0.1(4) . .
C213 C196 C197 C198 135.1(5) . .
C195 C196 C197 C198 -3.7(6) . .
C213 C196 C197 C216 1.0(7) . .
C195 C196 C197 C216 -137.8(4) . .
C184 C185 C198 C199 139.7(5) . .
C181 C185 C198 C199 1.6(6) . .
C184 C185 C198 C197 -0.6(6) . .
C181 C185 C198 C197 -138.7(5) . .
C196 C197 C198 C185 3.0(6) . .
C216 C197 C198 C185 144.5(4) . .
C196 C197 C198 C199 -139.6(4) . .
C216 C197 C198 C199 1.9(4) . .
C185 C198 C199 C200 -1.5(6) . .
C197 C198 C199 C200 141.2(5) . .
C185 C198 C199 C217 -143.5(4) . .
C197 C198 C199 C217 -0.8(5) . .
C198 C199 C200 C220 -137.8(4) . .
C217 C199 C200 C220 0.5(6) . .
C198 C199 C200 C186 -0.8(6) . .
C217 C199 C200 C186 137.4(4) . .
C181 C186 C200 C199 3.1(6) . .
C187 C186 C200 C199 -141.8(5) . .
C181 C186 C200 C220 146.6(4) . .
C187 C186 C200 C220 1.6(5) . .
C188 C187 C201 C202 1.0(7) . .
C186 C187 C201 C202 143.4(5) . .
C188 C187 C201 C220 -142.1(5) . .
C186 C187 C201 C220 0.2(5) . .
C187 C201 C202 C203 -1.3(7) . .
C220 C201 C202 C203 138.0(4) . .
C187 C201 C202 C222 -137.7(5) . .
C220 C201 C202 C222 1.6(6) . .
C201 C202 C203 C204 0.0(7) . .
C222 C202 C203 C204 143.7(4) . .
C201 C202 C203 C224 -142.1(5) . .
C222 C202 C203 C224 1.5(4) . .
C224 C203 C204 C188 142.9(5) . .
C202 C203 C204 C188 1.5(6) . .
C224 C203 C204 C205 5.7(7) . .
C202 C203 C204 C205 -135.7(5) . .
C187 C188 C204 C203 -1.7(6) . .
C189 C188 C204 C203 -144.0(4) . .
C187 C188 C204 C205 143.0(4) . .
C189 C188 C204 C205 0.8(5) . .
C191 C190 C205 C206 1.1(6) . .
C189 C190 C205 C206 143.1(4) . .
C191 C190 C205 C204 -140.0(4) . .
C189 C190 C205 C204 2.0(5) . .
C203 C204 C205 C206 -2.9(7) . .
C188 C204 C205 C206 -143.9(4) . .
C203 C204 C205 C190 139.3(5) . .
C188 C204 C205 C190 -1.8(5) . .
C190 C205 C206 C207 0.8(7) . .
C204 C205 C206 C207 139.1(4) . .
C190 C205 C206 C225 -140.0(4) . .
C204 C205 C206 C225 -1.6(6) . .
C205 C206 C207 C208 -2.1(6) . .
C225 C206 C207 C208 140.1(4) . .
C205 C206 C207 C227 -143.5(4) . .
C225 C206 C207 C227 -1.3(4) . .
C206 C207 C208 C209 -137.4(4) . .
C227 C207 C208 C209 -1.2(5) . .
C206 C207 C208 C191 1.5(6) . .
C227 C207 C208 C191 137.6(4) . .
C190 C191 C208 C209 142.8(3) . .
C192 C191 C208 C209 0.3(4) . .
C190 C191 C208 C207 0.3(5) . .
C192 C191 C208 C207 -142.2(3) . .
C207 C208 C209 C210 -0.7(5) . .
C191 C208 C209 C210 -142.5(3) . .
C207 C208 C209 C193 141.7(3) . .
C191 C208 C209 C193 -0.1(4) . .
C194 C193 C209 C210 -1.6(5) . .
C192 C193 C209 C210 141.3(3) . .
C194 C193 C209 C208 -142.9(4) . .
C192 C193 C209 C208 -0.1(4) . .
C208 C209 C210 C228 1.3(5) . .
C193 C209 C210 C228 -136.4(4) . .
C208 C209 C210 C211 140.4(3) . .
C193 C209 C210 C211 2.7(5) . .
C209 C210 C211 C212 -1.0(5) . .
C228 C210 C211 C212 142.7(4) . .
C209 C210 C211 C230 -143.9(3) . .
C228 C210 C211 C230 -0.2(4) . .
C230 C211 C212 C213 1.5(6) . .
C210 C211 C212 C213 -137.8(4) . .
C230 C211 C212 C194 137.3(4) . .
C210 C211 C212 C194 -2.0(5) . .
C193 C194 C212 C211 3.2(6) . .
C195 C194 C212 C211 -140.5(4) . .
C193 C194 C212 C213 145.4(4) . .
C195 C194 C212 C213 1.7(4) . .
C197 C196 C213 C214 2.5(7) . .
C195 C196 C213 C214 144.3(4) . .
C197 C196 C213 C212 -140.8(5) . .
C195 C196 C213 C212 1.1(4) . .
C211 C212 C213 C196 141.2(4) . .
C194 C212 C213 C196 -1.7(4) . .
C211 C212 C213 C214 -0.6(7) . .
C194 C212 C213 C214 -143.5(4) . .
C196 C213 C214 C231 -141.5(4) . .
C212 C213 C214 C231 -1.2(6) . .
C196 C213 C214 C215 -4.0(7) . .
C212 C213 C214 C215 136.4(4) . .
C213 C214 C215 C216 1.7(6) . .
C231 C214 C215 C216 143.2(4) . .
C213 C214 C215 C233 -140.2(4) . .
C231 C214 C215 C233 1.2(5) . .
C233 C215 C216 C217 -1.2(6) . .
C214 C215 C216 C217 -139.1(4) . .
C233 C215 C216 C197 139.8(4) . .
C214 C215 C216 C197 1.8(6) . .
C196 C197 C216 C215 -3.3(6) . .
C198 C197 C216 C215 -146.0(4) . .
C196 C197 C216 C217 140.3(4) . .
C198 C197 C216 C217 -2.4(4) . .
C215 C216 C217 C218 2.5(6) . .
C197 C216 C217 C218 -139.9(4) . .
C215 C216 C217 C199 144.5(4) . .
C197 C216 C217 C199 2.1(4) . .
C200 C199 C217 C218 -0.4(5) . .
C198 C199 C217 C218 142.8(3) . .
C200 C199 C217 C216 -144.0(4) . .
C198 C199 C217 C216 -0.8(4) . .
C216 C217 C218 C219 137.1(4) . .
C199 C217 C218 C219 -0.4(5) . .
C216 C217 C218 C234 -1.9(6) . .
C199 C217 C218 C234 -139.4(4) . .
C217 C218 C219 C220 1.2(5) . .
C234 C218 C219 C220 143.0(3) . .
C217 C218 C219 C221 -141.8(3) . .
C234 C218 C219 C221 0.0(4) . .
C199 C200 C220 C219 0.4(6) . .
C186 C200 C220 C219 -142.3(4) . .
C199 C200 C220 C201 141.2(4) . .
C186 C200 C220 C201 -1.5(4) . .
C218 C219 C220 C200 -1.2(5) . .
C221 C219 C220 C200 136.5(4) . .
C218 C219 C220 C201 -140.0(4) . .
C221 C219 C220 C201 -2.3(5) . .
C202 C201 C220 C200 -141.9(4) . .
C187 C201 C220 C200 0.8(5) . .
C202 C201 C220 C219 1.0(5) . .
C187 C201 C220 C219 143.7(4) . .
C220 C219 C221 C222 1.0(5) . .
C218 C219 C221 C222 142.6(4) . .
C220 C219 C221 C235 -141.2(3) . .
C218 C219 C221 C235 0.3(4) . .
C219 C221 C222 C223 -137.8(4) . .
C235 C221 C222 C223 0.6(6) . .
C219 C221 C222 C202 1.5(5) . .
C235 C221 C222 C202 140.0(4) . .
C201 C202 C222 C221 -2.9(6) . .
C203 C202 C222 C221 -145.5(4) . .
C201 C202 C222 C223 140.9(4) . .
C203 C202 C222 C223 -1.7(4) . .
C221 C222 C223 C237 1.7(6) . .
C202 C222 C223 C237 -140.1(4) . .
C221 C222 C223 C224 143.1(4) . .
C202 C222 C223 C224 1.3(4) . .
C204 C203 C224 C225 -4.0(7) . .
C202 C203 C224 C225 140.4(5) . .
C204 C203 C224 C223 -145.2(4) . .
C202 C203 C224 C223 -0.8(5) . .
C237 C223 C224 C225 -1.5(6) . .
C222 C223 C224 C225 -143.9(4) . .
C237 C223 C224 C203 142.0(4) . .
C222 C223 C224 C203 -0.3(4) . .
C203 C224 C225 C226 -135.4(5) . .
C223 C224 C225 C226 2.1(6) . .
C203 C224 C225 C206 -0.3(7) . .
C223 C224 C225 C206 137.3(5) . .
C205 C206 C225 C224 3.2(6) . .
C207 C206 C225 C224 -140.0(4) . .
C205 C206 C225 C226 145.5(4) . .
C207 C206 C225 C226 2.3(4) . .
C224 C225 C226 C238 -0.8(6) . .
C206 C225 C226 C238 -143.4(3) . .
C224 C225 C226 C227 140.3(4) . .
C206 C225 C226 C227 -2.3(4) . .
C238 C226 C227 C228 0.7(6) . .
C225 C226 C227 C228 -141.7(4) . .
C238 C226 C227 C207 144.0(4) . .
C225 C226 C227 C207 1.7(4) . .
C208 C207 C227 C228 2.6(5) . .
C206 C207 C227 C228 144.8(4) . .
C208 C207 C227 C226 -142.5(3) . .
C206 C207 C227 C226 -0.2(4) . .
C226 C227 C228 C210 137.8(4) . .
C207 C227 C228 C210 -2.0(6) . .
C226 C227 C228 C229 1.4(6) . .
C207 C227 C228 C229 -138.4(4) . .
C209 C210 C228 C227 0.1(6) . .
C211 C210 C228 C227 -141.2(4) . .
C209 C210 C228 C229 141.9(4) . .
C211 C210 C228 C229 0.6(4) . .
C227 C228 C229 C239 -3.0(5) . .
C210 C228 C229 C239 -145.5(4) . .
C227 C228 C229 C230 141.6(4) . .
C210 C228 C229 C230 -0.9(4) . .
C239 C229 C230 C231 -0.7(7) . .
C228 C229 C230 C231 -142.7(4) . .
C239 C229 C230 C211 142.7(4) . .
C228 C229 C230 C211 0.7(4) . .
C212 C211 C230 C231 -0.7(6) . .
C210 C211 C230 C231 142.8(4) . .
C212 C211 C230 C229 -143.9(4) . .
C210 C211 C230 C229 -0.4(4) . .
C229 C230 C231 C214 137.1(4) . .
C211 C230 C231 C214 -1.1(6) . .
C229 C230 C231 C232 0.5(6) . .
C211 C230 C231 C232 -137.6(4) . .
C213 C214 C231 C230 2.0(6) . .
C215 C214 C231 C230 -141.4(4) . .
C213 C214 C231 C232 142.4(4) . .
C215 C214 C231 C232 -1.0(5) . .
C230 C231 C232 C240 -0.6(6) . .
C214 C231 C232 C240 -142.0(4) . .
C230 C231 C232 C233 141.8(4) . .
C214 C231 C232 C233 0.4(5) . .
C216 C215 C233 C234 -0.7(6) . .
C214 C215 C233 C234 141.2(4) . .
C216 C215 C233 C232 -142.8(4) . .
C214 C215 C233 C232 -0.9(5) . .
C240 C232 C233 C234 -0.5(5) . .
C231 C232 C233 C234 -143.5(4) . .
C240 C232 C233 C215 143.3(4) . .
C231 C232 C233 C215 0.3(4) . .
C215 C233 C234 C218 1.3(5) . .
C232 C233 C234 C218 139.2(3) . .
C215 C233 C234 C235 -137.8(4) . .
C232 C233 C234 C235 0.1(5) . .
C219 C218 C234 C233 -143.1(3) . .
C217 C218 C234 C233 0.0(5) . .
C219 C218 C234 C235 -0.4(4) . .
C217 C218 C234 C235 142.8(3) . .
C233 C234 C235 C236 0.1(5) . .
C218 C234 C235 C236 -141.9(3) . .
C233 C234 C235 C221 142.6(3) . .
C218 C234 C235 C221 0.6(3) . .
C222 C221 C235 C236 -2.8(5) . .
C219 C221 C235 C236 141.0(3) . .
C222 C221 C235 C234 -144.4(4) . .
C219 C221 C235 C234 -0.5(4) . .
C234 C235 C236 C240 0.0(6) . .
C221 C235 C236 C240 -135.8(4) . .
C234 C235 C236 C237 138.3(3) . .
C221 C235 C236 C237 2.5(5) . .
C222 C223 C237 C238 136.0(4) . .
C224 C223 C237 C238 -0.5(6) . .
C222 C223 C237 C236 -2.0(5) . .
C224 C223 C237 C236 -138.5(4) . .
C235 C236 C237 C223 -0.1(5) . .
C240 C236 C237 C223 143.0(3) . .
C235 C236 C237 C238 -144.0(3) . .
C240 C236 C237 C238 -0.9(4) . .
C223 C237 C238 C239 -141.2(4) . .
C236 C237 C238 C239 0.3(4) . .
C223 C237 C238 C226 1.8(5) . .
C236 C237 C238 C226 143.3(3) . .
C227 C226 C238 C237 -140.1(4) . .
C225 C226 C238 C237 -1.2(5) . .
C227 C226 C238 C239 -1.2(6) . .
C225 C226 C238 C239 137.8(4) . .
C230 C229 C239 C238 -136.6(5) . .
C228 C229 C239 C238 2.6(5) . .
C230 C229 C239 C240 0.8(6) . .
C228 C229 C239 C240 140.1(4) . .
C237 C238 C239 C229 141.3(4) . .
C226 C238 C239 C229 -0.6(6) . .
C237 C238 C239 C240 0.4(4) . .
C226 C238 C239 C240 -141.5(4) . .
C233 C232 C240 C236 0.7(6) . .
C231 C232 C240 C236 139.4(4) . .
C233 C232 C240 C239 -137.9(4) . .
C231 C232 C240 C239 0.8(6) . .
C235 C236 C240 C232 -0.4(6) . .
C237 C236 C240 C232 -142.4(4) . .
C235 C236 C240 C239 143.1(4) . .
C237 C236 C240 C239 1.1(4) . .
C229 C239 C240 C232 -0.9(6) . .
C238 C239 C240 C232 142.7(4) . .
C229 C239 C240 C236 -144.6(4) . .
C238 C239 C240 C236 -1.0(4) . .
C84 C98 C243 C94 179.8(2) . .
C97 C98 C243 C94 -0.7(4) . .
C84 C98 C243 C87 -2.4(4) . .
C97 C98 C243 C87 177.0(2) . .
C95 C94 C243 C98 -2.0(4) . .
C93 C94 C243 C98 177.0(2) . .
C95 C94 C243 C87 -179.9(2) . .
C93 C94 C243 C87 -0.9(3) . .
C86 C87 C243 C98 2.0(4) . .
C88 C87 C243 C98 -177.2(2) . .
C86 C87 C243 C94 179.9(2) . .
C88 C87 C243 C94 0.7(3) . .
