#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:04:47 +0100 (vie 25 de mar de 2016) $
#$Revision: 180002 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/96/7029615.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_7029615
loop_
_publ_author_name
'Ishtaiwi, Zakariyya'
'Rüffer, Tobias'
'Klaib, Sami'
'Buschbeck, Roy'
'Walfort, Bernhard'
'Lang, Heinrich'
_publ_section_title
;
 Porphyrins with a carbosilane dendrimer periphery as synthetic components
 for supramolecular self-assembly.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7868
_journal_page_last               7888
_journal_paper_doi               10.1039/c3dt53535e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety
'2(C176 H206 N4 Si16), 6(C2 H6 O), C2 H5, H O'
_chemical_formula_sum            'C366 H454 N8 O7 Si32'
_chemical_formula_weight         5976.28
_chemical_name_systematic
;
 ?
;
_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
_cell_angle_alpha                111.449(8)
_cell_angle_beta                 90.029(4)
_cell_angle_gamma                107.324(4)
_cell_formula_units_Z            1
_cell_length_a                   15.0021(10)
_cell_length_b                   25.14080(10)
_cell_length_c                   28.4875(11)
_cell_measurement_reflns_used    69157
_cell_measurement_temperature    205
_cell_measurement_theta_max      24.91
_cell_measurement_theta_min      2.96
_cell_volume                     9474.1(10)
_computing_cell_refinement       Saint
_computing_data_collection       Smart
_computing_data_reduction        Saint
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      205
_diffrn_measured_fraction_theta_full 0.920
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device_type  'Bruker Smart ccd 1k'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_sigmaI/netI    0.0946
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            71422
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.84
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.156
_exptl_absorpt_correction_T_max  0.99999
_exptl_absorpt_correction_T_min  0.78137
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.047
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3210
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.907
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1973
_refine_ls_number_reflns         30684
_refine_ls_number_restraints     384
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.1406
_refine_ls_R_factor_gt           0.0857
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1684P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2552
_refine_ls_wR_factor_ref         0.2776
_reflns_number_gt                17175
_reflns_number_total             30684
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53535e2.cif
_cod_data_source_block           zak6
_cod_depositor_comments
'Adding full bibliography for 7029611--7029615.cif.'
_cod_original_cell_volume        9474.1(7)
_cod_database_code               7029615
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.0972(3) -0.0646(2) -0.08751(17) 0.0253(11) Uani 1 1 d . . .
C2 C 1.1184(4) -0.1204(2) -0.11175(18) 0.0321(12) Uani 1 1 d . . .
H2 H 1.1465 -0.1313 -0.1414 0.039 Uiso 1 1 calc R . .
C3 C 1.0895(4) -0.1534(2) -0.08313(18) 0.0295(12) Uani 1 1 d . . .
H3 H 1.0952 -0.1910 -0.0888 0.035 Uiso 1 1 calc R . .
C4 C 1.0476(3) -0.1187(2) -0.04170(17) 0.0239(11) Uani 1 1 d . . .
C5 C 1.0016(3) -0.1406(2) -0.00602(17) 0.0225(10) Uani 1 1 d . . .
C6 C 0.9515(3) -0.1108(2) 0.03050(17) 0.0225(10) Uani 1 1 d . . .
C7 C 0.9037(3) -0.1314(2) 0.06700(17) 0.0241(11) Uani 1 1 d . . .
H7 H 0.8969 -0.1682 0.0696 0.029 Uiso 1 1 calc R . .
C8 C 0.8700(3) -0.0879(2) 0.09725(18) 0.0268(11) Uani 1 1 d . . .
H8 H 0.8350 -0.0902 0.1238 0.032 Uiso 1 1 calc R . .
C9 C 0.8971(3) -0.0380(2) 0.08148(17) 0.0243(11) Uani 1 1 d . . .
C10 C 1.0041(3) -0.2005(2) -0.00815(17) 0.0242(11) Uani 1 1 d . . .
C11 C 0.9217(4) -0.2501(2) -0.02219(19) 0.0296(12) Uani 1 1 d . . .
H11 H 0.8652 -0.2464 -0.0317 0.035 Uiso 1 1 calc R . .
C12 C 0.9238(4) -0.3049(2) -0.02207(19) 0.0322(12) Uani 1 1 d . . .
H12 H 0.8680 -0.3370 -0.0309 0.039 Uiso 1 1 calc R . .
C12A C 0.7177(13) 0.6128(8) 0.7613(5) 0.102(4) Uani 0.521(11) 1 d PDU A 1
H12A H 0.7244 0.5957 0.7845 0.122 Uiso 0.521(11) 1 calc PR A 1
H12B H 0.7217 0.6532 0.7728 0.122 Uiso 0.521(11) 1 calc PR A 1
C12B C 0.7062(14) 0.5393(8) 0.7261(7) 0.102(4) Uani 0.479(11) 1 d PDU A 2
H12C H 0.7164 0.5442 0.7599 0.122 Uiso 0.479(11) 1 calc PR A 2
H12D H 0.6979 0.5020 0.7002 0.122 Uiso 0.479(11) 1 calc PR A 2
C13 C 1.0070(4) -0.3132(2) -0.00915(17) 0.0253(11) Uani 1 1 d . . .
C14 C 1.0905(4) -0.2629(2) 0.00352(18) 0.0294(12) Uani 1 1 d . . .
H14 H 1.1476 -0.2668 0.0117 0.035 Uiso 1 1 calc R . .
C15 C 1.0879(3) -0.2081(2) 0.00382(17) 0.0257(11) Uani 1 1 d . . .
H15 H 1.1435 -0.1758 0.0122 0.031 Uiso 1 1 calc R . .
C16 C 1.0224(4) -0.3753(2) 0.06438(18) 0.0281(11) Uani 1 1 d . . .
C17 C 0.9577(4) -0.4114(2) 0.08477(19) 0.0337(12) Uani 1 1 d . . .
H17 H 0.9076 -0.4431 0.0631 0.040 Uiso 1 1 calc R . .
C18 C 0.9655(4) -0.4015(2) 0.1359(2) 0.0381(13) Uani 1 1 d . . .
H18 H 0.9201 -0.4265 0.1475 0.046 Uiso 1 1 calc R . .
C19 C 1.0396(4) -0.3551(2) 0.1709(2) 0.0386(13) Uani 1 1 d . . .
C20 C 1.1063(4) -0.3189(2) 0.1506(2) 0.0386(13) Uani 1 1 d . . .
H20 H 1.1572 -0.2879 0.1722 0.046 Uiso 1 1 calc R . .
C21 C 1.0983(4) -0.3283(2) 0.0993(2) 0.0341(12) Uani 1 1 d . . .
H21 H 1.1435 -0.3033 0.0877 0.041 Uiso 1 1 calc R . .
C22 C 1.0741(6) -0.2582(4) 0.2780(3) 0.091(3) Uani 1 1 d . . .
H22A H 1.1281 -0.2344 0.2684 0.136 Uiso 1 1 calc R . .
H22B H 1.0845 -0.2498 0.3136 0.136 Uiso 1 1 calc R . .
H22C H 1.0197 -0.2483 0.2713 0.136 Uiso 1 1 calc R . .
C23 C 0.9504(6) -0.3906(4) 0.2565(3) 0.090(3) Uani 1 1 d . . .
H23A H 0.9438 -0.4320 0.2363 0.136 Uiso 1 1 calc R . .
H23B H 0.8947 -0.3821 0.2495 0.136 Uiso 1 1 calc R . .
H23C H 0.9593 -0.3838 0.2919 0.136 Uiso 1 1 calc R . .
C24 C 1.1635(5) -0.3567(4) 0.2555(2) 0.069(2) Uani 1 1 d D . .
H24A H 1.1524 -0.3998 0.2392 0.083 Uiso 1 1 calc R B 1
H24B H 1.2150 -0.3367 0.2410 0.083 Uiso 1 1 calc R B 1
C25 C 1.1927(13) -0.3368(15) 0.3118(5) 0.103(8) Uani 0.75(5) 1 d PD C 1
H25 H 1.2242 -0.2959 0.3295 0.124 Uiso 0.75(5) 1 calc PR C 1
C26 C 1.1792(17) -0.369(2) 0.3366(10) 0.239(19) Uani 0.75(5) 1 d PD C 1
H26A H 1.1480 -0.4102 0.3207 0.287 Uiso 0.75(5) 1 calc PR C 1
H26B H 1.2001 -0.3521 0.3712 0.287 Uiso 0.75(5) 1 calc PR C 1
C25' C 1.181(4) -0.353(2) 0.3088(10) 0.09(2) Uani 0.25(5) 1 d PD C 2
H25' H 1.1910 -0.3143 0.3324 0.111 Uiso 0.25(5) 1 calc PR C 2
C26' C 1.185(4) -0.3875(14) 0.3302(12) 0.049(14) Uani 0.25(5) 1 d PD C 2
H26C H 1.1765 -0.4280 0.3111 0.059 Uiso 0.25(5) 1 calc PR C 2
H26D H 1.1977 -0.3728 0.3654 0.059 Uiso 0.25(5) 1 calc PR C 2
C27 C 0.8966(4) -0.4471(2) -0.03867(19) 0.0310(12) Uani 1 1 d . . .
C28 C 0.8100(4) -0.4448(2) -0.0215(2) 0.0366(13) Uani 1 1 d . . .
H28 H 0.8088 -0.4128 0.0079 0.044 Uiso 1 1 calc R . .
C29 C 0.7254(4) -0.4891(2) -0.0472(2) 0.0398(14) Uani 1 1 d . . .
H29 H 0.6690 -0.4857 -0.0351 0.048 Uiso 1 1 calc R . .
C30 C 0.7243(4) -0.5388(2) -0.0913(2) 0.0404(14) Uani 1 1 d . . .
C31 C 0.8123(4) -0.5404(2) -0.1083(2) 0.0397(14) Uani 1 1 d . . .
H31 H 0.8145 -0.5725 -0.1374 0.048 Uiso 1 1 calc R . .
C32 C 0.8954(4) -0.4956(2) -0.0827(2) 0.0356(13) Uani 1 1 d . . .
H32 H 0.9518 -0.4980 -0.0953 0.043 Uiso 1 1 calc R . .
C33 C 0.5237(5) -0.6030(3) -0.0777(3) 0.067(2) Uani 1 1 d . . .
H33A H 0.5111 -0.5653 -0.0648 0.100 Uiso 1 1 calc R . .
H33B H 0.5486 -0.6098 -0.0502 0.100 Uiso 1 1 calc R . .
H33C H 0.4665 -0.6351 -0.0944 0.100 Uiso 1 1 calc R . .
C34 C 0.6365(5) -0.6738(3) -0.1494(3) 0.0587(18) Uani 1 1 d . . .
H34A H 0.6816 -0.6721 -0.1731 0.088 Uiso 1 1 calc R . .
H34B H 0.5795 -0.7061 -0.1663 0.088 Uiso 1 1 calc R . .
H34C H 0.6615 -0.6807 -0.1219 0.088 Uiso 1 1 calc R . .
C35 C 0.5597(6) -0.5870(4) -0.1774(3) 0.081(2) Uani 1 1 d D . .
H35A H 0.5003 -0.6187 -0.1926 0.097 Uiso 1 1 calc R D 1
H35B H 0.5466 -0.5491 -0.1634 0.097 Uiso 1 1 calc R D 1
C36 C 0.6207(16) -0.5850(13) -0.2177(7) 0.095(8) Uani 0.57(2) 1 d PD E 1
H36 H 0.6211 -0.6224 -0.2406 0.114 Uiso 0.57(2) 1 calc PR E 1
C37 C 0.6722(17) -0.5405(9) -0.2259(8) 0.150(10) Uani 0.57(2) 1 d PD E 1
H37A H 0.6754 -0.5016 -0.2046 0.180 Uiso 0.57(2) 1 calc PR E 1
H37B H 0.7071 -0.5464 -0.2532 0.180 Uiso 0.57(2) 1 calc PR E 1
C36' C 0.625(2) -0.5780(14) -0.2145(8) 0.077(7) Uani 0.43(2) 1 d PD E 2
H36' H 0.6828 -0.5471 -0.2039 0.092 Uiso 0.43(2) 1 calc PR E 2
C37' C 0.6034(15) -0.6123(8) -0.2606(7) 0.077(7) Uani 0.43(2) 1 d PD E 2
H37C H 0.5460 -0.6432 -0.2712 0.092 Uiso 0.43(2) 1 calc PR E 2
H37D H 0.6444 -0.6069 -0.2842 0.092 Uiso 0.43(2) 1 calc PR E 2
C38 C 1.1142(4) -0.4031(2) -0.03541(19) 0.0304(12) Uani 1 1 d . . .
C39 C 1.1803(4) -0.4200(2) -0.01326(19) 0.0319(12) Uani 1 1 d . . .
H39 H 1.1726 -0.4224 0.0184 0.038 Uiso 1 1 calc R . .
C40 C 1.2552(4) -0.4330(2) -0.0370(2) 0.0380(13) Uani 1 1 d . . .
H40 H 1.2968 -0.4438 -0.0209 0.046 Uiso 1 1 calc R . .
C41 C 1.2712(4) -0.4303(2) -0.0852(2) 0.0427(14) Uani 1 1 d . . .
C42 C 1.2047(5) -0.4145(3) -0.1074(2) 0.0502(16) Uani 1 1 d . . .
H42 H 1.2113 -0.4130 -0.1394 0.060 Uiso 1 1 calc R . .
C43 C 1.1297(4) -0.4011(3) -0.0832(2) 0.0409(14) Uani 1 1 d . . .
H43 H 1.0881 -0.3903 -0.0993 0.049 Uiso 1 1 calc R . .
C44 C 1.4425(6) -0.4700(4) -0.0775(4) 0.096(3) Uani 1 1 d . . .
H44A H 1.4645 -0.4375 -0.0449 0.144 Uiso 1 1 calc R . .
H44B H 1.4953 -0.4787 -0.0939 0.144 Uiso 1 1 calc R . .
H44C H 1.4030 -0.5052 -0.0729 0.144 Uiso 1 1 calc R . .
C45 C 1.3321(7) -0.5104(4) -0.1801(3) 0.113(4) Uani 1 1 d . . .
H45A H 1.2969 -0.4988 -0.2007 0.170 Uiso 1 1 calc R . .
H45B H 1.2925 -0.5457 -0.1759 0.170 Uiso 1 1 calc R . .
H45C H 1.3850 -0.5189 -0.1965 0.170 Uiso 1 1 calc R . .
C46 C 1.4536(6) -0.3791(4) -0.1246(4) 0.106(3) Uani 1 1 d DU . .
H46A H 1.4211 -0.3698 -0.1485 0.128 Uiso 1 1 calc R . .
H46B H 1.4666 -0.3454 -0.0921 0.128 Uiso 1 1 calc R . .
C47 C 1.5489(9) -0.3857(5) -0.1434(6) 0.154(5) Uani 1 1 d DU . .
H47 H 1.5457 -0.4069 -0.1782 0.185 Uiso 1 1 calc R . .
C48 C 1.6355(10) -0.3654(8) -0.1171(8) 0.245(10) Uani 1 1 d DU . .
H48A H 1.6444 -0.3438 -0.0822 0.294 Uiso 1 1 calc R . .
H48B H 1.6861 -0.3731 -0.1340 0.294 Uiso 1 1 calc R . .
C49 C 0.8826(3) 0.0175(2) 0.10582(17) 0.0257(11) Uani 1 1 d . . .
C50 C 0.8483(4) 0.0288(2) 0.15664(18) 0.0281(11) Uani 1 1 d . . .
C51 C 0.7650(4) 0.0414(2) 0.16790(19) 0.0359(13) Uani 1 1 d . . .
H51 H 0.7251 0.0400 0.1422 0.043 Uiso 1 1 calc R . .
C52 C 0.7401(4) 0.0563(3) 0.2174(2) 0.0398(14) Uani 1 1 d . . .
H52 H 0.6849 0.0658 0.2241 0.048 Uiso 1 1 calc R . .
C53 C 0.7965(4) 0.0572(2) 0.25662(19) 0.0325(12) Uani 1 1 d . . .
C54 C 0.8796(4) 0.0432(2) 0.24461(19) 0.0350(13) Uani 1 1 d . . .
H54 H 0.9185 0.0432 0.2701 0.042 Uiso 1 1 calc R . .
C55 C 0.9054(4) 0.0293(2) 0.19623(19) 0.0320(12) Uani 1 1 d . . .
H55 H 0.9610 0.0203 0.1897 0.038 Uiso 1 1 calc R . .
C56 C 0.7010(4) 0.0031(2) 0.33151(18) 0.0309(12) Uani 1 1 d . . .
C57 C 0.6371(3) -0.0003(2) 0.36644(19) 0.0304(12) Uani 1 1 d . . .
H57 H 0.6207 0.0337 0.3848 0.036 Uiso 1 1 calc R . .
C58 C 0.5972(4) -0.0532(2) 0.3747(2) 0.0365(13) Uani 1 1 d . . .
H58 H 0.5539 -0.0538 0.3980 0.044 Uiso 1 1 calc R . .
C59 C 0.6204(4) -0.1057(2) 0.3486(2) 0.0352(13) Uani 1 1 d . . .
C60 C 0.6878(5) -0.1004(3) 0.3155(2) 0.0602(19) Uani 1 1 d . . .
H60 H 0.7075 -0.1334 0.2986 0.072 Uiso 1 1 calc R . .
C61 C 0.7262(6) -0.0487(3) 0.3066(3) 0.064(2) Uani 1 1 d . . .
H61 H 0.7700 -0.0481 0.2836 0.077 Uiso 1 1 calc R . .
C62 C 0.5900(6) -0.1595(3) 0.4314(3) 0.069(2) Uani 1 1 d . . .
H62A H 0.5613 -0.1299 0.4501 0.104 Uiso 1 1 calc R . .
H62B H 0.6564 -0.1440 0.4423 0.104 Uiso 1 1 calc R . .
H62C H 0.5630 -0.1957 0.4376 0.104 Uiso 1 1 calc R . .
C63 C 0.6248(6) -0.2336(3) 0.3256(3) 0.077(2) Uani 1 1 d . . .
H63A H 0.6917 -0.2172 0.3352 0.116 Uiso 1 1 calc R . .
H63B H 0.6111 -0.2439 0.2899 0.116 Uiso 1 1 calc R . .
H63C H 0.6005 -0.2691 0.3332 0.116 Uiso 1 1 calc R . .
C64 C 0.4381(5) -0.2033(3) 0.3465(3) 0.0646(19) Uani 1 1 d . . .
H64A H 0.4116 -0.2374 0.3562 0.077 Uiso 1 1 calc R . .
H64B H 0.4138 -0.1714 0.3664 0.077 Uiso 1 1 calc R . .
C65 C 0.4068(6) -0.2218(3) 0.2913(3) 0.074(2) Uani 1 1 d . . .
H65 H 0.4124 -0.2582 0.2694 0.089 Uiso 1 1 calc R . .
C66 C 0.3721(6) -0.1919(3) 0.2703(3) 0.091(3) Uani 1 1 d . . .
H66A H 0.3650 -0.1552 0.2905 0.109 Uiso 1 1 calc R . .
H66B H 0.3548 -0.2077 0.2354 0.109 Uiso 1 1 calc R . .
C67 C 0.6914(4) 0.1281(2) 0.33525(18) 0.0274(11) Uani 1 1 d . . .
C68 C 0.5999(4) 0.1082(2) 0.30974(18) 0.0287(12) Uani 1 1 d . . .
H68 H 0.5732 0.0681 0.2880 0.034 Uiso 1 1 calc R . .
C69 C 0.5490(4) 0.1484(2) 0.31678(19) 0.0310(12) Uani 1 1 d . . .
H69 H 0.4883 0.1341 0.3000 0.037 Uiso 1 1 calc R . .
C70 C 0.5869(4) 0.2098(2) 0.34847(19) 0.0305(12) Uani 1 1 d . . .
C71 C 0.6781(4) 0.2283(2) 0.37303(19) 0.0329(12) Uani 1 1 d . . .
H71 H 0.7053 0.2684 0.3948 0.039 Uiso 1 1 calc R . .
C72 C 0.7291(4) 0.1887(2) 0.36585(19) 0.0287(11) Uani 1 1 d . . .
H72 H 0.7903 0.2033 0.3820 0.034 Uiso 1 1 calc R . .
C73 C 0.4007(5) 0.2287(3) 0.3265(3) 0.074(2) Uani 1 1 d . . .
H73A H 0.3676 0.1940 0.3336 0.112 Uiso 1 1 calc R . .
H73B H 0.4069 0.2166 0.2909 0.112 Uiso 1 1 calc R . .
H73C H 0.3664 0.2570 0.3358 0.112 Uiso 1 1 calc R . .
C74 C 0.5064(6) 0.2885(4) 0.4370(3) 0.079(2) Uani 1 1 d . . .
H74A H 0.4701 0.2538 0.4433 0.119 Uiso 1 1 calc R . .
H74B H 0.4753 0.3185 0.4471 0.119 Uiso 1 1 calc R . .
H74C H 0.5677 0.3047 0.4561 0.119 Uiso 1 1 calc R . .
C75 C 0.5897(5) 0.3325(3) 0.3525(3) 0.068(2) Uani 1 1 d . . .
H75A H 0.5545 0.3605 0.3583 0.082 Uiso 1 1 calc R . .
H75B H 0.6475 0.3526 0.3758 0.082 Uiso 1 1 calc R . .
C76 C 0.6125(6) 0.3124(3) 0.2974(3) 0.074(2) Uani 1 1 d . . .
H76 H 0.6585 0.2936 0.2904 0.089 Uiso 1 1 calc R . .
C77 C 0.5751(6) 0.3186(4) 0.2591(4) 0.094(3) Uani 1 1 d . . .
H77A H 0.5287 0.3371 0.2637 0.113 Uiso 1 1 calc R . .
H77B H 0.5949 0.3046 0.2272 0.113 Uiso 1 1 calc R . .
C78 C 0.8773(4) 0.1140(2) 0.36850(18) 0.0295(12) Uani 1 1 d . . .
C79 C 0.9472(4) 0.1643(2) 0.3666(2) 0.0347(13) Uani 1 1 d . . .
H79 H 0.9370 0.1802 0.3431 0.042 Uiso 1 1 calc R . .
C80 C 1.0304(4) 0.1908(3) 0.3984(2) 0.0410(14) Uani 1 1 d . . .
H80 H 1.0743 0.2245 0.3962 0.049 Uiso 1 1 calc R . .
C81 C 1.0513(4) 0.1684(3) 0.4342(2) 0.0420(14) Uani 1 1 d . . .
C82 C 0.9811(4) 0.1191(3) 0.4367(2) 0.0500(16) Uani 1 1 d . . .
H82 H 0.9910 0.1038 0.4608 0.060 Uiso 1 1 calc R . .
C83 C 0.8973(4) 0.0921(3) 0.4049(2) 0.0398(14) Uani 1 1 d . . .
H83 H 0.8531 0.0587 0.4075 0.048 Uiso 1 1 calc R . .
C84 C 1.2354(5) 0.2748(3) 0.4724(3) 0.076(2) Uani 1 1 d . . .
H84A H 1.2447 0.2699 0.4379 0.115 Uiso 1 1 calc R . .
H84B H 1.2953 0.2907 0.4927 0.115 Uiso 1 1 calc R . .
H84C H 1.2001 0.3022 0.4853 0.115 Uiso 1 1 calc R . .
C85 C 1.2387(6) 0.1462(4) 0.4493(3) 0.090(3) Uani 1 1 d . . .
H85A H 1.2047 0.1079 0.4505 0.135 Uiso 1 1 calc R . .
H85B H 1.2985 0.1623 0.4698 0.135 Uiso 1 1 calc R . .
H85C H 1.2483 0.1413 0.4149 0.135 Uiso 1 1 calc R . .
C86 C 1.1494(5) 0.2077(3) 0.5415(3) 0.066(2) Uani 1 1 d . . .
H86A H 1.1158 0.1682 0.5414 0.079 Uiso 1 1 calc R . .
H86B H 1.2099 0.2221 0.5617 0.079 Uiso 1 1 calc R . .
C87 C 1.0949(5) 0.2498(4) 0.5661(3) 0.0638(19) Uani 1 1 d . . .
H87 H 1.1244 0.2905 0.5731 0.077 Uiso 1 1 calc R . .
C88 C 1.0097(5) 0.2347(4) 0.5786(3) 0.072(2) Uani 1 1 d . . .
H88A H 0.9773 0.1945 0.5724 0.087 Uiso 1 1 calc R . .
H88B H 0.9817 0.2642 0.5938 0.087 Uiso 1 1 calc R . .
C101 C 0.6620(3) 0.0645(2) 0.58758(17) 0.0261(11) Uani 1 1 d . . .
C102 C 0.7388(4) 0.1206(2) 0.61216(18) 0.0307(12) Uani 1 1 d . . .
H102 H 0.7775 0.1316 0.6420 0.037 Uiso 1 1 calc R . .
C103 C 0.7434(3) 0.1536(2) 0.58348(18) 0.0296(12) Uani 1 1 d . . .
H103 H 0.7870 0.1911 0.5890 0.035 Uiso 1 1 calc R . .
C104 C 0.6660(3) 0.1187(2) 0.54189(17) 0.0228(10) Uani 1 1 d . . .
C105 C 0.6419(3) 0.1408(2) 0.50630(17) 0.0232(10) Uani 1 1 d . . .
C106 C 0.5621(3) 0.11072(19) 0.46942(16) 0.0210(10) Uani 1 1 d . . .
C107 C 0.5352(3) 0.1319(2) 0.43349(17) 0.0244(11) Uani 1 1 d . . .
H107 H 0.5652 0.1689 0.4314 0.029 Uiso 1 1 calc R . .
C108 C 0.4576(3) 0.0882(2) 0.40251(18) 0.0254(11) Uani 1 1 d . . .
H108 H 0.4249 0.0904 0.3759 0.030 Uiso 1 1 calc R . .
C109 C 0.4358(3) 0.0381(2) 0.41860(17) 0.0218(10) Uani 1 1 d . . .
C110 C 0.7040(3) 0.2002(2) 0.50825(17) 0.0235(11) Uani 1 1 d . . .
C111 C 0.6711(4) 0.2506(2) 0.52216(19) 0.0303(12) Uani 1 1 d . . .
H111 H 0.6106 0.2468 0.5312 0.036 Uiso 1 1 calc R . .
C112 C 0.7283(4) 0.3053(2) 0.52239(19) 0.0319(12) Uani 1 1 d . . .
H112 H 0.7051 0.3377 0.5317 0.038 Uiso 1 1 calc R . .
C113 C 0.8202(3) 0.3135(2) 0.50903(17) 0.0261(11) Uani 1 1 d . . .
C114 C 0.8536(4) 0.2628(2) 0.49633(18) 0.0289(11) Uani 1 1 d . . .
H114 H 0.9147 0.2667 0.4883 0.035 Uiso 1 1 calc R . .
C115 C 0.7954(3) 0.2077(2) 0.49582(17) 0.0261(11) Uani 1 1 d . . .
H115 H 0.8182 0.1752 0.4870 0.031 Uiso 1 1 calc R . .
C116 C 0.8443(4) 0.4469(2) 0.53887(19) 0.0290(12) Uani 1 1 d . . .
C117 C 0.7548(4) 0.4447(2) 0.5216(2) 0.0361(13) Uani 1 1 d . . .
H117 H 0.7215 0.4129 0.4921 0.043 Uiso 1 1 calc R . .
C118 C 0.7147(4) 0.4891(2) 0.5474(2) 0.0386(13) Uani 1 1 d . . .
H118 H 0.6548 0.4856 0.5353 0.046 Uiso 1 1 calc R . .
C119 C 0.7629(4) 0.5388(2) 0.5914(2) 0.0354(13) Uani 1 1 d . A .
C120 C 0.8520(4) 0.5405(2) 0.6083(2) 0.0376(13) Uani 1 1 d . . .
H120 H 0.8859 0.5727 0.6374 0.045 Uiso 1 1 calc R . .
C121 C 0.8912(4) 0.4959(2) 0.58292(19) 0.0333(12) Uani 1 1 d . . .
H121 H 0.9503 0.4988 0.5957 0.040 Uiso 1 1 calc R . .
C122 C 0.8106(5) 0.6740(3) 0.6489(3) 0.0562(17) Uani 1 1 d . A .
H12E H 0.7860 0.7064 0.6657 0.084 Uiso 1 1 calc R . .
H12F H 0.8418 0.6806 0.6211 0.084 Uiso 1 1 calc R . .
H12G H 0.8547 0.6726 0.6725 0.084 Uiso 1 1 calc R . .
C123 C 0.6268(5) 0.6028(3) 0.5764(3) 0.0622(19) Uani 1 1 d . A .
H12H H 0.5763 0.5653 0.5636 0.093 Uiso 1 1 calc R . .
H12I H 0.6590 0.6090 0.5488 0.093 Uiso 1 1 calc R . .
H12J H 0.6020 0.6353 0.5926 0.093 Uiso 1 1 calc R . .
C124 C 0.6456(5) 0.5868(4) 0.6772(3) 0.078(2) Uani 1 1 d DU A .
H12K H 0.6202 0.6195 0.6934 0.094 Uiso 1 1 calc R . .
H12L H 0.5930 0.5498 0.6628 0.094 Uiso 1 1 calc R . .
C125 C 0.7036(6) 0.5822(4) 0.7158(3) 0.087(2) Uani 1 1 d DU . .
H125 H 0.7329 0.5527 0.7045 0.104 Uiso 1 1 calc R A 1
C127 C 1.0179(3) 0.4032(2) 0.53518(18) 0.0283(11) Uani 1 1 d . . .
C128 C 1.0308(4) 0.4009(2) 0.5833(2) 0.0404(14) Uani 1 1 d . . .
H128 H 0.9784 0.3900 0.5993 0.048 Uiso 1 1 calc R . .
C129 C 1.1194(4) 0.4145(3) 0.6071(2) 0.0476(16) Uani 1 1 d . . .
H129 H 1.1249 0.4127 0.6390 0.057 Uiso 1 1 calc R . .
C130 C 1.2010(4) 0.4308(2) 0.5852(2) 0.0405(14) Uani 1 1 d . . .
C131 C 1.1878(4) 0.4329(2) 0.5368(2) 0.0380(13) Uani 1 1 d . . .
H131 H 1.2401 0.4432 0.5205 0.046 Uiso 1 1 calc R . .
C132 C 1.0995(4) 0.4199(2) 0.51307(19) 0.0311(12) Uani 1 1 d . . .
H132 H 1.0940 0.4224 0.4815 0.037 Uiso 1 1 calc R . .
C133 C 1.3421(7) 0.5102(4) 0.6806(3) 0.108(3) Uani 1 1 d . . .
H13A H 1.2952 0.4982 0.7009 0.161 Uiso 1 1 calc R . .
H13B H 1.3378 0.5457 0.6766 0.161 Uiso 1 1 calc R . .
H13C H 1.4034 0.5187 0.6971 0.161 Uiso 1 1 calc R . .
C134 C 1.4127(5) 0.4703(4) 0.5771(3) 0.092(3) Uani 1 1 d . . .
H13D H 1.4019 0.4380 0.5445 0.138 Uiso 1 1 calc R . .
H13E H 1.4742 0.4787 0.5933 0.138 Uiso 1 1 calc R . .
H13F H 1.4085 0.5057 0.5730 0.138 Uiso 1 1 calc R . .
C135 C 1.3327(6) 0.3782(4) 0.6239(4) 0.102(3) Uani 1 1 d D . .
H13G H 1.2897 0.3681 0.6471 0.123 Uiso 1 1 calc R . .
H13H H 1.3135 0.3449 0.5911 0.123 Uiso 1 1 calc R . .
C136 C 1.4338(8) 0.3855(5) 0.6439(6) 0.151(6) Uani 1 1 d D . .
H136 H 1.4506 0.4054 0.6789 0.181 Uiso 1 1 calc R . .
C137 C 1.5011(10) 0.3665(8) 0.6171(8) 0.256(13) Uani 1 1 d D . .
H13I H 1.4888 0.3463 0.5820 0.308 Uiso 1 1 calc R . .
H13J H 1.5593 0.3738 0.6338 0.308 Uiso 1 1 calc R . .
C138 C 0.8978(3) 0.3750(2) 0.43550(18) 0.0272(11) Uani 1 1 d . . .
C139 C 0.8690(4) 0.4116(2) 0.4156(2) 0.0334(12) Uani 1 1 d . . .
H139 H 0.8513 0.4436 0.4375 0.040 Uiso 1 1 calc R . .
C140 C 0.8661(4) 0.4012(2) 0.3639(2) 0.0374(13) Uani 1 1 d . . .
H140 H 0.8445 0.4256 0.3521 0.045 Uiso 1 1 calc R . .
C141 C 0.8949(4) 0.3550(2) 0.3292(2) 0.0363(13) Uani 1 1 d . . .
C142 C 0.9251(4) 0.3194(2) 0.3501(2) 0.0383(13) Uani 1 1 d . . .
H142 H 0.9451 0.2883 0.3286 0.046 Uiso 1 1 calc R . .
C143 C 0.9263(4) 0.3285(2) 0.40078(19) 0.0342(12) Uani 1 1 d . . .
H143 H 0.9465 0.3034 0.4123 0.041 Uiso 1 1 calc R . .
C144 C 0.8411(7) 0.3896(4) 0.2428(3) 0.090(3) Uani 1 1 d . . .
H14A H 0.8753 0.4310 0.2630 0.135 Uiso 1 1 calc R . .
H14B H 0.7767 0.3810 0.2495 0.135 Uiso 1 1 calc R . .
H14C H 0.8437 0.3825 0.2075 0.135 Uiso 1 1 calc R . .
C145 C 0.8319(6) 0.2588(4) 0.2219(3) 0.090(3) Uani 1 1 d . . .
H14D H 0.8615 0.2347 0.2316 0.134 Uiso 1 1 calc R . .
H14E H 0.8344 0.2506 0.1864 0.134 Uiso 1 1 calc R . .
H14F H 0.7674 0.2490 0.2284 0.134 Uiso 1 1 calc R . .
C146 C 1.0194(5) 0.3573(4) 0.2447(2) 0.069(2) Uani 1 1 d D . .
H14G H 1.0517 0.4000 0.2631 0.082 Uiso 1 1 calc R . .
H14H H 1.0500 0.3354 0.2574 0.082 Uiso 1 1 calc R . .
C147 C 1.0318(6) 0.3420(5) 0.1888(3) 0.106(3) Uani 1 1 d D . .
H147 H 1.0183 0.3012 0.1688 0.127 Uiso 1 1 calc R . .
C148 C 1.0581(8) 0.3777(8) 0.1663(4) 0.186(8) Uani 1 1 d D . .
H14I H 1.0726 0.4191 0.1843 0.224 Uiso 1 1 calc R . .
H14J H 1.0631 0.3628 0.1316 0.224 Uiso 1 1 calc R . .
C149 C 0.3649(3) -0.0176(2) 0.39411(18) 0.0276(11) Uani 1 1 d . . .
C150 C 0.3190(3) -0.0286(2) 0.34340(18) 0.0277(11) Uani 1 1 d . . .
C151 C 0.3760(4) -0.0291(2) 0.30418(19) 0.0330(12) Uani 1 1 d . . .
H151 H 0.4406 -0.0201 0.3110 0.040 Uiso 1 1 calc R . .
C152 C 0.3366(4) -0.0431(2) 0.25522(19) 0.0329(12) Uani 1 1 d . . .
H152 H 0.3754 -0.0431 0.2298 0.039 Uiso 1 1 calc R . .
C153 C 0.2394(4) -0.0573(2) 0.24352(18) 0.0302(12) Uani 1 1 d . . .
C154 C 0.1845(4) -0.0563(3) 0.2826(2) 0.0409(14) Uani 1 1 d . . .
H154 H 0.1198 -0.0659 0.2757 0.049 Uiso 1 1 calc R . .
C155 C 0.2230(4) -0.0414(2) 0.3321(2) 0.0365(13) Uani 1 1 d . . .
H155 H 0.1842 -0.0401 0.3577 0.044 Uiso 1 1 calc R . .
C156 C 0.2637(3) -0.1135(2) 0.13202(18) 0.0302(12) Uani 1 1 d . . .
C157 C 0.3043(4) -0.0929(3) 0.0946(2) 0.0410(14) Uani 1 1 d . . .
H157 H 0.2915 -0.0606 0.0909 0.049 Uiso 1 1 calc R . .
C158 C 0.3623(4) -0.1191(3) 0.0635(2) 0.0487(16) Uani 1 1 d . . .
H158 H 0.3885 -0.1031 0.0400 0.058 Uiso 1 1 calc R . .
C159 C 0.3835(4) -0.1685(3) 0.0654(2) 0.0440(14) Uani 1 1 d . . .
C160 C 0.3398(4) -0.1906(3) 0.1017(2) 0.0413(14) Uani 1 1 d . . .
H160 H 0.3500 -0.2244 0.1039 0.050 Uiso 1 1 calc R . .
C161 C 0.2830(4) -0.1643(2) 0.1337(2) 0.0363(13) Uani 1 1 d . . .
H161 H 0.2568 -0.1805 0.1570 0.044 Uiso 1 1 calc R . .
C162 C 0.5912(5) -0.1465(4) 0.0495(4) 0.098(3) Uani 1 1 d . . .
H16A H 0.5949 -0.1083 0.0482 0.146 Uiso 1 1 calc R . .
H16B H 0.6347 -0.1626 0.0288 0.146 Uiso 1 1 calc R . .
H16C H 0.6068 -0.1411 0.0840 0.146 Uiso 1 1 calc R . .
C163 C 0.4601(6) -0.2744(3) 0.0276(3) 0.078(2) Uani 1 1 d . . .
H16D H 0.4748 -0.2695 0.0620 0.117 Uiso 1 1 calc R . .
H16E H 0.5035 -0.2907 0.0069 0.117 Uiso 1 1 calc R . .
H16F H 0.3971 -0.3015 0.0149 0.117 Uiso 1 1 calc R . .
C164 C 0.4413(6) -0.2074(4) -0.0408(3) 0.070(2) Uani 1 1 d . . .
H16G H 0.4467 -0.1679 -0.0406 0.084 Uiso 1 1 calc R . .
H16H H 0.4874 -0.2216 -0.0612 0.084 Uiso 1 1 calc R . .
C165 C 0.3450(6) -0.2496(4) -0.0652(3) 0.067(2) Uani 1 1 d . . .
H165 H 0.3337 -0.2902 -0.0716 0.081 Uiso 1 1 calc R . .
C166 C 0.2740(6) -0.2343(4) -0.0785(3) 0.075(2) Uani 1 1 d . . .
H16I H 0.2821 -0.1942 -0.0729 0.090 Uiso 1 1 calc R . .
H16J H 0.2164 -0.2638 -0.0935 0.090 Uiso 1 1 calc R . .
C167 C 0.0635(3) -0.1281(2) 0.16484(17) 0.0253(11) Uani 1 1 d . . .
C168 C -0.0082(4) -0.1088(2) 0.18983(18) 0.0278(11) Uani 1 1 d . . .
H168 H 0.0052 -0.0685 0.2112 0.033 Uiso 1 1 calc R . .
C169 C -0.0989(4) -0.1482(2) 0.18365(19) 0.0317(12) Uani 1 1 d . . .
H169 H -0.1448 -0.1339 0.2009 0.038 Uiso 1 1 calc R . .
C170 C -0.1223(4) -0.2096(2) 0.15161(19) 0.0308(12) Uani 1 1 d . . .
C171 C -0.0496(4) -0.2285(2) 0.12720(19) 0.0328(12) Uani 1 1 d . . .
H171 H -0.0623 -0.2687 0.1058 0.039 Uiso 1 1 calc R . .
C172 C 0.0410(3) -0.1887(2) 0.13412(18) 0.0283(11) Uani 1 1 d . . .
H172 H 0.0876 -0.2031 0.1177 0.034 Uiso 1 1 calc R . .
C173 C -0.3278(5) -0.2290(3) 0.1737(3) 0.071(2) Uani 1 1 d . . .
H17A H -0.3264 -0.1942 0.1667 0.107 Uiso 1 1 calc R . .
H17B H -0.3096 -0.2170 0.2093 0.107 Uiso 1 1 calc R . .
H17C H -0.3903 -0.2573 0.1643 0.107 Uiso 1 1 calc R . .
C174 C -0.2816(5) -0.2888(4) 0.0635(3) 0.083(3) Uani 1 1 d . . .
H17D H -0.2386 -0.3073 0.0444 0.125 Uiso 1 1 calc R . .
H17E H -0.2797 -0.2539 0.0566 0.125 Uiso 1 1 calc R . .
H17F H -0.3441 -0.3171 0.0538 0.125 Uiso 1 1 calc R . .
C175 C -0.2430(5) -0.3325(3) 0.1477(3) 0.067(2) Uani 1 1 d . . .
H17G H -0.3065 -0.3600 0.1426 0.080 Uiso 1 1 calc R . .
H17H H -0.2065 -0.3533 0.1240 0.080 Uiso 1 1 calc R . .
C176 C -0.1991(6) -0.3126(3) 0.2017(3) 0.075(2) Uani 1 1 d . . .
H176 H -0.1342 -0.2944 0.2081 0.090 Uiso 1 1 calc R . .
C177 C -0.2427(7) -0.3181(4) 0.2415(4) 0.098(3) Uani 1 1 d . . .
H17I H -0.3076 -0.3359 0.2375 0.118 Uiso 1 1 calc R . .
H17J H -0.2081 -0.3040 0.2731 0.118 Uiso 1 1 calc R . .
C178 C 0.1976(4) -0.0034(2) 0.16849(19) 0.0325(12) Uani 1 1 d . . .
C179 C 0.1367(4) 0.0000(2) 0.1335(2) 0.0330(12) Uani 1 1 d . . .
H179 H 0.0861 -0.0339 0.1151 0.040 Uiso 1 1 calc R . .
C180 C 0.1500(4) 0.0531(2) 0.1255(2) 0.0388(14) Uani 1 1 d . . .
H180 H 0.1069 0.0538 0.1024 0.047 Uiso 1 1 calc R . .
C181 C 0.2255(4) 0.1053(2) 0.1507(2) 0.0366(13) Uani 1 1 d . . .
C182 C 0.2876(5) 0.1001(3) 0.1843(3) 0.063(2) Uani 1 1 d . . .
H182 H 0.3398 0.1334 0.2016 0.076 Uiso 1 1 calc R . .
C183 C 0.2752(5) 0.0483(3) 0.1928(3) 0.066(2) Uani 1 1 d . . .
H183 H 0.3192 0.0474 0.2152 0.079 Uiso 1 1 calc R . .
C184 C 0.3581(5) 0.2335(3) 0.1737(3) 0.078(3) Uani 1 1 d . . .
H18A H 0.4087 0.2173 0.1640 0.117 Uiso 1 1 calc R . .
H18B H 0.3553 0.2439 0.2095 0.117 Uiso 1 1 calc R . .
H18C H 0.3687 0.2690 0.1662 0.117 Uiso 1 1 calc R . .
C185 C 0.2498(5) 0.1596(3) 0.0687(3) 0.069(2) Uani 1 1 d . . .
H18D H 0.1917 0.1301 0.0499 0.103 Uiso 1 1 calc R . .
H18E H 0.3009 0.1443 0.0580 0.103 Uiso 1 1 calc R . .
H18F H 0.2591 0.1959 0.0627 0.103 Uiso 1 1 calc R . .
C186 C 0.1414(5) 0.2030(3) 0.1539(3) 0.068(2) Uani 1 1 d . . .
H18G H 0.1487 0.2373 0.1444 0.082 Uiso 1 1 calc R . .
H18H H 0.0853 0.1711 0.1338 0.082 Uiso 1 1 calc R . .
C187 C 0.1277(6) 0.2209(3) 0.2085(3) 0.074(2) Uani 1 1 d . . .
H187 H 0.1702 0.2570 0.2307 0.089 Uiso 1 1 calc R . .
C188 C 0.0631(6) 0.1919(3) 0.2289(3) 0.084(3) Uani 1 1 d . . .
H18I H 0.0187 0.1556 0.2085 0.101 Uiso 1 1 calc R . .
H18J H 0.0614 0.2076 0.2638 0.101 Uiso 1 1 calc R . .
N1 N 1.0543(3) -0.06459(17) -0.04486(14) 0.0233(9) Uani 1 1 d . . .
N2 N 0.9447(3) -0.05440(16) 0.03990(14) 0.0222(9) Uani 1 1 d . . .
H2N H 0.9667 -0.0328 0.0225 0.027 Uiso 1 1 calc R . .
N3 N 0.6187(3) 0.06439(17) 0.54484(13) 0.0215(9) Uani 1 1 d . . .
N4 N 0.4994(3) 0.05435(16) 0.46019(14) 0.0223(9) Uani 1 1 d . . .
H4N H 0.4999 0.0328 0.4776 0.027 Uiso 1 1 calc R . .
Si1 Si 1.01072(10) -0.38554(6) -0.00442(5) 0.0282(3) Uani 1 1 d . . .
Si2 Si 1.05465(14) -0.34009(9) 0.24065(6) 0.0573(5) Uani 1 1 d D C .
Si3 Si 0.61084(12) -0.60057(8) -0.12384(7) 0.0474(4) Uani 1 1 d D E .
Si4 Si 1.37425(15) -0.44819(8) -0.11731(7) 0.0582(5) Uani 1 1 d DU . .
Si5 Si 0.76466(10) 0.07561(6) 0.32326(5) 0.0276(3) Uani 1 1 d . . .
Si6 Si 0.56894(12) -0.17650(7) 0.36183(7) 0.0440(4) Uani 1 1 d . . .
Si7 Si 0.51914(12) 0.26470(7) 0.36360(7) 0.0446(4) Uani 1 1 d . . .
Si8 Si 1.16899(13) 0.20004(9) 0.47456(8) 0.0584(5) Uani 1 1 d . . .
Si9 Si 0.89609(10) 0.38551(6) 0.50427(5) 0.0279(3) Uani 1 1 d . . .
Si10 Si 0.71184(13) 0.60078(8) 0.62403(7) 0.0474(4) Uani 1 1 d D . .
Si11 Si 1.32269(13) 0.44815(9) 0.61706(7) 0.0573(5) Uani 1 1 d . . .
Si12 Si 0.89422(15) 0.33987(9) 0.25937(6) 0.0572(5) Uani 1 1 d . . .
Si13 Si 0.18899(10) -0.07563(6) 0.17666(5) 0.0277(3) Uani 1 1 d . . .
Si14 Si 0.46923(14) -0.19995(9) 0.02544(8) 0.0592(5) Uani 1 1 d . . .
Si15 Si -0.24518(11) -0.26461(7) 0.13660(7) 0.0448(4) Uani 1 1 d . . .
Si16 Si 0.24523(12) 0.17637(7) 0.13800(7) 0.0448(4) Uani 1 1 d . . .
O1 O 0.0068(6) -0.0387(4) 0.3671(3) 0.145(3) Uani 1 1 d DU . .
H1 H 0.0107 -0.0094 0.3598 0.217 Uiso 1 1 calc R . .
O2 O 0.5470(5) 0.0382(4) 0.1334(3) 0.056(2) Uani 0.50 1 d PDU . .
H2A H 0.5164 0.0081 0.1382 0.084 Uiso 0.50 1 calc PR . .
C4O C 0.5698(11) 0.1386(7) 0.1583(8) 0.100(6) Uani 0.50 1 d PDU . .
H4O1 H 0.5459 0.1684 0.1813 0.149 Uiso 0.50 1 calc PR . .
H4O2 H 0.5579 0.1358 0.1243 0.149 Uiso 0.50 1 calc PR . .
H4O3 H 0.6363 0.1498 0.1675 0.149 Uiso 0.50 1 calc PR . .
C3O C 0.5249(14) 0.0824(8) 0.1612(8) 0.102(6) Uani 0.50 1 d PDU . .
H3O1 H 0.5363 0.0867 0.1961 0.122 Uiso 0.50 1 calc PR . .
H3O2 H 0.4577 0.0731 0.1535 0.122 Uiso 0.50 1 calc PR . .
O4 O 1.0586(7) 0.0447(6) 0.3216(5) 0.105(5) Uani 0.50 1 d PDU . .
H4 H 1.0712 0.0172 0.3260 0.158 Uiso 0.50 1 calc PR . .
C7O C 1.1322(8) 0.0744(5) 0.3004(5) 0.059(3) Uani 0.50 1 d PDU . .
H7O1 H 1.1887 0.0858 0.3232 0.070 Uiso 0.50 1 calc PR . .
H7O2 H 1.1380 0.0434 0.2692 0.070 Uiso 0.50 1 calc PR . .
C8O C 1.1394(14) 0.1220(8) 0.2889(7) 0.105(6) Uani 0.50 1 d PDU . .
H8O1 H 1.1984 0.1333 0.2761 0.157 Uiso 0.50 1 calc PR . .
H8O2 H 1.1364 0.1550 0.3188 0.157 Uiso 0.50 1 calc PR . .
H8O3 H 1.0887 0.1121 0.2634 0.157 Uiso 0.50 1 calc PR . .
O3 O 0.5164(6) -0.0446(6) 0.1787(5) 0.108(5) Uani 0.50 1 d PDU . .
H3A H 0.5572 -0.0172 0.1745 0.161 Uiso 0.50 1 calc PR . .
C2O C -0.0701(12) -0.1400(7) 0.3444(7) 0.205(7) Uani 1 1 d DU . .
H2O1 H -0.1179 -0.1742 0.3205 0.307 Uiso 1 1 calc R . .
H2O2 H -0.0862 -0.1336 0.3782 0.307 Uiso 1 1 calc R . .
H2O3 H -0.0108 -0.1474 0.3416 0.307 Uiso 1 1 calc R . .
C1O C -0.0635(11) -0.0887(8) 0.3341(8) 0.240(9) Uani 1 1 d DU . .
H1O1 H -0.0501 -0.0959 0.2994 0.288 Uiso 1 1 calc R . .
H1O2 H -0.1233 -0.0809 0.3373 0.288 Uiso 1 1 calc R . .
C5O C 0.5594(8) -0.0750(6) 0.2008(5) 0.057(3) Uani 0.50 1 d PDU . .
H5O1 H 0.6023 -0.0889 0.1775 0.068 Uiso 0.50 1 calc PR . .
H5O2 H 0.5985 -0.0439 0.2313 0.068 Uiso 0.50 1 calc PR . .
O5 O 0.8183(12) 0.0097(7) 0.5061(7) 0.163(7) Uani 0.50 1 d PDU . .
H5 H 0.8489 0.0108 0.5305 0.244 Uiso 0.50 1 calc PR . .
C9O C 0.8357(9) -0.0311(7) 0.4615(6) 0.081(4) Uani 0.50 1 d PDU . .
H9O1 H 0.7988 -0.0334 0.4325 0.097 Uiso 0.50 1 calc PR . .
H9O2 H 0.8180 -0.0710 0.4627 0.097 Uiso 0.50 1 calc PR . .
C6O C 0.5154(14) -0.1213(8) 0.2141(8) 0.119(7) Uani 0.50 1 d PDU . .
H6O1 H 0.5613 -0.1334 0.2276 0.179 Uiso 0.50 1 calc PR . .
H6O2 H 0.4780 -0.1546 0.1848 0.179 Uiso 0.50 1 calc PR . .
H6O3 H 0.4755 -0.1092 0.2394 0.179 Uiso 0.50 1 calc PR . .
C10O C 0.9388(10) -0.0104(8) 0.4563(7) 0.095(6) Uani 0.50 1 d PDU . .
H10A H 0.9516 -0.0385 0.4258 0.142 Uiso 0.50 1 calc PR . .
H10B H 0.9749 -0.0082 0.4852 0.142 Uiso 0.50 1 calc PR . .
H10C H 0.9556 0.0287 0.4546 0.142 Uiso 0.50 1 calc PR . .
O6 O 0.3000(7) -0.0009(6) 0.0061(5) 0.098(3) Uani 0.50 1 d PDU . .
H6 H 0.3273 0.0016 0.0321 0.147 Uiso 0.50 1 calc PR F 1
C11O C 0.3414(12) -0.0222(11) -0.0313(8) 0.072(5) Uani 0.315(7) 1 d PDU G 1
H11A H 0.3062 -0.0273 -0.0621 0.087 Uiso 0.315(7) 1 calc PR G 1
H11B H 0.3414 -0.0617 -0.0339 0.087 Uiso 0.315(7) 1 calc PR G 1
C12O C 0.4365(13) 0.0145(14) -0.0284(11) 0.098(3) Uani 0.315(7) 1 d PDU G 1
H12M H 0.4617 -0.0028 -0.0592 0.147 Uiso 0.315(7) 1 calc PR G 1
H12N H 0.4737 0.0163 -0.0001 0.147 Uiso 0.315(7) 1 calc PR G 1
H12O H 0.4377 0.0544 -0.0240 0.147 Uiso 0.315(7) 1 calc PR G 1
C11' C 0.3758(18) 0.0381(13) 0.0417(13) 0.072(5) Uani 0.185(7) 1 d PDU G 2
H11C H 0.3551 0.0508 0.0751 0.087 Uiso 0.185(7) 1 calc PR G 2
H11D H 0.4033 0.0737 0.0341 0.087 Uiso 0.185(7) 1 calc PR G 2
C12' C 0.4495(14) 0.0076(9) 0.0419(8) 0.072(5) Uani 0.185(7) 1 d PDU G 2
H12P H 0.5052 0.0367 0.0637 0.087 Uiso 0.185(7) 1 calc PR G 2
H12Q H 0.4647 -0.0091 0.0080 0.087 Uiso 0.185(7) 1 calc PR G 2
H12R H 0.4251 -0.0241 0.0542 0.087 Uiso 0.185(7) 1 calc PR G 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
N1 C1 C49 125.4(4) . 2_755
N1 C1 C2 110.3(4) . .
C49 C1 C2 124.4(4) 2_755 .
C3 C2 C1 106.9(4) . .
C3 C2 H2 126.5 . .
C1 C2 H2 126.5 . .
C2 C3 C4 106.7(4) . .
C2 C3 H3 126.7 . .
C4 C3 H3 126.7 . .
N1 C4 C5 126.0(4) . .
N1 C4 C3 110.2(4) . .
C5 C4 C3 123.7(4) . .
C6 C5 C4 124.5(4) . .
C6 C5 C10 117.7(4) . .
C4 C5 C10 117.8(4) . .
N2 C6 C5 126.2(4) . .
N2 C6 C7 107.2(4) . .
C5 C6 C7 126.4(4) . .
C8 C7 C6 108.0(4) . .
C8 C7 H7 126.0 . .
C6 C7 H7 126.0 . .
C7 C8 C9 108.6(4) . .
C7 C8 H8 125.7 . .
C9 C8 H8 125.7 . .
N2 C9 C49 127.3(4) . .
N2 C9 C8 106.6(4) . .
C49 C9 C8 126.0(4) . .
C15 C10 C11 118.5(4) . .
C15 C10 C5 120.9(4) . .
C11 C10 C5 120.6(4) . .
C12 C11 C10 120.4(5) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C11 C12 C13 122.0(5) . .
C11 C12 H12 119.0 . .
C13 C12 H12 119.0 . .
C125 C12A H12A 120.0 . .
C125 C12A H12B 120.0 . .
H12A C12A H12B 120.0 . .
C125 C12B H12C 120.0 . .
C125 C12B H12D 120.0 . .
H12C C12B H12D 120.0 . .
C12 C13 C14 116.8(4) . .
C12 C13 Si1 122.9(4) . .
C14 C13 Si1 120.1(4) . .
C15 C14 C13 120.9(5) . .
C15 C14 H14 119.5 . .
C13 C14 H14 119.5 . .
C14 C15 C10 121.2(5) . .
C14 C15 H15 119.4 . .
C10 C15 H15 119.4 . .
C17 C16 C21 115.9(5) . .
C17 C16 Si1 123.4(4) . .
C21 C16 Si1 120.7(4) . .
C18 C17 C16 122.5(5) . .
C18 C17 H17 118.7 . .
C16 C17 H17 118.7 . .
C17 C18 C19 122.2(5) . .
C17 C18 H18 118.9 . .
C19 C18 H18 118.9 . .
C18 C19 C20 115.8(5) . .
C18 C19 Si2 124.1(4) . .
C20 C19 Si2 120.1(4) . .
C21 C20 C19 122.2(5) . .
C21 C20 H20 118.9 . .
C19 C20 H20 118.9 . .
C20 C21 C16 121.4(5) . .
C20 C21 H21 119.3 . .
C16 C21 H21 119.3 . .
Si2 C22 H22A 109.5 . .
Si2 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si2 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si2 C23 H23A 109.5 . .
Si2 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
Si2 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25' C24 C25 14(2) . .
C25' C24 Si2 116(2) . .
C25 C24 Si2 114.0(8) . .
C25' C24 H24A 95.4 . .
C25 C24 H24A 108.8 . .
Si2 C24 H24A 108.8 . .
C25' C24 H24B 119.0 . .
C25 C24 H24B 108.7 . .
Si2 C24 H24B 108.8 . .
H24A C24 H24B 107.6 . .
C26 C25 C24 126.9(19) . .
C26 C25 H25 116.5 . .
C24 C25 H25 116.6 . .
C25 C26 H26A 120.0 . .
C25 C26 H26B 120.0 . .
H26A C26 H26B 120.0 . .
C26' C25' C24 138(4) . .
C26' C25' H25' 110.9 . .
C24 C25' H25' 110.9 . .
C25' C26' H26C 120.0 . .
C25' C26' H26D 120.0 . .
H26C C26' H26D 120.0 . .
C32 C27 C28 117.2(5) . .
C32 C27 Si1 121.3(4) . .
C28 C27 Si1 121.5(4) . .
C29 C28 C27 122.0(5) . .
C29 C28 H28 119.0 . .
C27 C28 H28 119.0 . .
C28 C29 C30 120.8(5) . .
C28 C29 H29 119.6 . .
C30 C29 H29 119.6 . .
C29 C30 C31 116.6(5) . .
C29 C30 Si3 120.8(5) . .
C31 C30 Si3 122.5(4) . .
C32 C31 C30 121.6(5) . .
C32 C31 H31 119.2 . .
C30 C31 H31 119.2 . .
C31 C32 C27 121.8(5) . .
C31 C32 H32 119.1 . .
C27 C32 H32 119.1 . .
Si3 C33 H33A 109.5 . .
Si3 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
Si3 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si3 C34 H34A 109.5 . .
Si3 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si3 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C36 C35 C36' 6(2) . .
C36 C35 Si3 114.6(13) . .
C36' C35 Si3 114.2(13) . .
C36 C35 H35A 108.6 . .
C36' C35 H35A 113.9 . .
Si3 C35 H35A 108.6 . .
C36 C35 H35B 108.6 . .
C36' C35 H35B 103.4 . .
Si3 C35 H35B 108.6 . .
H35A C35 H35B 107.6 . .
C37 C36 C35 130(2) . .
C37 C36 H36 115.0 . .
C35 C36 H36 115.0 . .
C36 C37 H37A 120.0 . .
C36 C37 H37B 120.0 . .
H37A C37 H37B 120.0 . .
C37' C36' C35 120(2) . .
C37' C36' H36' 120.2 . .
C35 C36' H36' 120.2 . .
C36' C37' H37C 120.0 . .
C36' C37' H37D 120.0 . .
H37C C37' H37D 120.0 . .
C43 C38 C39 115.7(5) . .
C43 C38 Si1 120.9(4) . .
C39 C38 Si1 123.4(4) . .
C40 C39 C38 122.2(5) . .
C40 C39 H39 118.9 . .
C38 C39 H39 118.9 . .
C39 C40 C41 122.0(5) . .
C39 C40 H40 119.0 . .
C41 C40 H40 119.0 . .
C42 C41 C40 115.7(5) . .
C42 C41 Si4 122.8(4) . .
C40 C41 Si4 121.5(4) . .
C43 C42 C41 122.2(5) . .
C43 C42 H42 118.9 . .
C41 C42 H42 118.9 . .
C42 C43 C38 122.4(5) . .
C42 C43 H43 118.8 . .
C38 C43 H43 118.8 . .
Si4 C44 H44A 109.5 . .
Si4 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
Si4 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
Si4 C45 H45A 109.5 . .
Si4 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
Si4 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C47 C46 Si4 113.6(6) . .
C47 C46 H46A 108.8 . .
Si4 C46 H46A 108.8 . .
C47 C46 H46B 108.8 . .
Si4 C46 H46B 108.8 . .
H46A C46 H46B 107.7 . .
C48 C47 C46 130.2(13) . .
C48 C47 H47 114.9 . .
C46 C47 H47 114.9 . .
C47 C48 H48A 120.0 . .
C47 C48 H48B 120.0 . .
H48A C48 H48B 120.0 . .
C9 C49 C1 125.3(4) . 2_755
C9 C49 C50 116.6(4) . .
C1 C49 C50 118.0(4) 2_755 .
C51 C50 C55 117.8(4) . .
C51 C50 C49 123.7(4) . .
C55 C50 C49 118.4(4) . .
C50 C51 C52 121.1(5) . .
C50 C51 H51 119.5 . .
C52 C51 H51 119.5 . .
C53 C52 C51 121.3(5) . .
C53 C52 H52 119.4 . .
C51 C52 H52 119.4 . .
C52 C53 C54 117.1(5) . .
C52 C53 Si5 122.6(4) . .
C54 C53 Si5 120.2(4) . .
C55 C54 C53 122.0(5) . .
C55 C54 H54 119.0 . .
C53 C54 H54 119.0 . .
C54 C55 C50 120.6(5) . .
C54 C55 H55 119.7 . .
C50 C55 H55 119.7 . .
C57 C56 C61 116.4(5) . .
C57 C56 Si5 123.1(4) . .
C61 C56 Si5 120.0(4) . .
C56 C57 C58 121.8(5) . .
C56 C57 H57 119.1 . .
C58 C57 H57 119.1 . .
C57 C58 C59 121.7(5) . .
C57 C58 H58 119.2 . .
C59 C58 H58 119.2 . .
C60 C59 C58 115.4(5) . .
C60 C59 Si6 123.2(4) . .
C58 C59 Si6 121.3(4) . .
C61 C60 C59 123.1(5) . .
C61 C60 H60 118.4 . .
C59 C60 H60 118.4 . .
C60 C61 C56 121.5(6) . .
C60 C61 H61 119.3 . .
C56 C61 H61 119.3 . .
Si6 C62 H62A 109.5 . .
Si6 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
Si6 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
Si6 C63 H63A 109.5 . .
Si6 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
Si6 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C65 C64 Si6 113.0(5) . .
C65 C64 H64A 109.0 . .
Si6 C64 H64A 109.0 . .
C65 C64 H64B 109.0 . .
Si6 C64 H64B 109.0 . .
H64A C64 H64B 107.8 . .
C66 C65 C64 127.2(7) . .
C66 C65 H65 116.4 . .
C64 C65 H65 116.4 . .
C65 C66 H66A 120.0 . .
C65 C66 H66B 120.0 . .
H66A C66 H66B 120.0 . .
C72 C67 C68 117.5(4) . .
C72 C67 Si5 120.9(4) . .
C68 C67 Si5 121.3(4) . .
C69 C68 C67 120.6(5) . .
C69 C68 H68 119.7 . .
C67 C68 H68 119.7 . .
C68 C69 C70 121.9(5) . .
C68 C69 H69 119.1 . .
C70 C69 H69 119.1 . .
C71 C70 C69 116.3(5) . .
C71 C70 Si7 119.5(4) . .
C69 C70 Si7 124.0(4) . .
C72 C71 C70 122.0(5) . .
C72 C71 H71 119.0 . .
C70 C71 H71 119.0 . .
C67 C72 C71 121.7(5) . .
C67 C72 H72 119.1 . .
C71 C72 H72 119.1 . .
Si7 C73 H73A 109.5 . .
Si7 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
Si7 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
Si7 C74 H74A 109.5 . .
Si7 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
Si7 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C76 C75 Si7 108.5(5) . .
C76 C75 H75A 110.0 . .
Si7 C75 H75A 110.0 . .
C76 C75 H75B 110.0 . .
Si7 C75 H75B 110.0 . .
H75A C75 H75B 108.4 . .
C77 C76 C75 127.9(9) . .
C77 C76 H76 116.1 . .
C75 C76 H76 116.1 . .
C76 C77 H77A 120.0 . .
C76 C77 H77B 120.0 . .
H77A C77 H77B 120.0 . .
C79 C78 C83 116.1(5) . .
C79 C78 Si5 122.2(4) . .
C83 C78 Si5 121.6(4) . .
C80 C79 C78 122.0(5) . .
C80 C79 H79 119.0 . .
C78 C79 H79 119.0 . .
C79 C80 C81 122.0(5) . .
C79 C80 H80 119.0 . .
C81 C80 H80 119.0 . .
C82 C81 C80 115.9(5) . .
C82 C81 Si8 121.2(4) . .
C80 C81 Si8 122.7(4) . .
C83 C82 C81 122.4(5) . .
C83 C82 H82 118.8 . .
C81 C82 H82 118.8 . .
C82 C83 C78 121.5(5) . .
C82 C83 H83 119.3 . .
C78 C83 H83 119.3 . .
Si8 C84 H84A 109.5 . .
Si8 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
Si8 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
Si8 C85 H85A 109.5 . .
Si8 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
Si8 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C87 C86 Si8 113.7(5) . .
C87 C86 H86A 108.8 . .
Si8 C86 H86A 108.8 . .
C87 C86 H86B 108.8 . .
Si8 C86 H86B 108.8 . .
H86A C86 H86B 107.7 . .
C88 C87 C86 126.3(8) . .
C88 C87 H87 116.9 . .
C86 C87 H87 116.9 . .
C87 C88 H88A 120.0 . .
C87 C88 H88B 120.0 . .
H88A C88 H88B 120.0 . .
N3 C101 C149 125.2(4) . 2_656
N3 C101 C102 110.5(4) . .
C149 C101 C102 124.3(4) 2_656 .
C103 C102 C101 107.0(4) . .
C103 C102 H102 126.5 . .
C101 C102 H102 126.5 . .
C102 C103 C104 106.5(4) . .
C102 C103 H103 126.8 . .
C104 C103 H103 126.8 . .
N3 C104 C105 126.0(4) . .
N3 C104 C103 110.3(4) . .
C105 C104 C103 123.5(4) . .
C106 C105 C104 124.5(4) . .
C106 C105 C110 117.5(4) . .
C104 C105 C110 118.0(4) . .
N4 C106 C105 125.9(4) . .
N4 C106 C107 108.1(4) . .
C105 C106 C107 126.0(4) . .
C108 C107 C106 108.0(4) . .
C108 C107 H107 126.0 . .
C106 C107 H107 126.0 . .
C107 C108 C109 107.6(4) . .
C107 C108 H108 126.2 . .
C109 C108 H108 126.2 . .
N4 C109 C149 127.3(4) . .
N4 C109 C108 107.4(4) . .
C149 C109 C108 125.3(4) . .
C115 C110 C111 118.2(4) . .
C115 C110 C105 121.0(4) . .
C111 C110 C105 120.8(4) . .
C112 C111 C110 120.5(5) . .
C112 C111 H111 119.8 . .
C110 C111 H111 119.8 . .
C111 C112 C113 122.1(5) . .
C111 C112 H112 118.9 . .
C113 C112 H112 118.9 . .
C112 C113 C114 116.9(4) . .
C112 C113 Si9 123.0(4) . .
C114 C113 Si9 120.0(4) . .
C115 C114 C113 120.6(5) . .
C115 C114 H114 119.7 . .
C113 C114 H114 119.7 . .
C110 C115 C114 121.6(5) . .
C110 C115 H115 119.2 . .
C114 C115 H115 119.2 . .
C121 C116 C117 116.5(5) . .
C121 C116 Si9 122.3(4) . .
C117 C116 Si9 121.2(4) . .
C118 C117 C116 121.8(5) . .
C118 C117 H117 119.1 . .
C116 C117 H117 119.1 . .
C117 C118 C119 121.3(5) . .
C117 C118 H118 119.3 . .
C119 C118 H118 119.3 . .
C118 C119 C120 116.4(5) . .
C118 C119 Si10 121.3(4) . .
C120 C119 Si10 122.3(4) . .
C121 C120 C119 122.2(5) . .
C121 C120 H120 118.9 . .
C119 C120 H120 118.9 . .
C120 C121 C116 121.7(5) . .
C120 C121 H121 119.1 . .
C116 C121 H121 119.1 . .
Si10 C122 H12E 109.5 . .
Si10 C122 H12F 109.5 . .
H12E C122 H12F 109.5 . .
Si10 C122 H12G 109.5 . .
H12E C122 H12G 109.5 . .
H12F C122 H12G 109.5 . .
Si10 C123 H12H 109.5 . .
Si10 C123 H12I 109.5 . .
H12H C123 H12I 109.5 . .
Si10 C123 H12J 109.5 . .
H12H C123 H12J 109.5 . .
H12I C123 H12J 109.5 . .
C125 C124 Si10 113.5(6) . .
C125 C124 H12K 108.9 . .
Si10 C124 H12K 108.9 . .
C125 C124 H12L 108.9 . .
Si10 C124 H12L 108.9 . .
H12K C124 H12L 107.7 . .
C12A C125 C12B 88.2(13) . .
C12A C125 C124 127.0(12) . .
C12B C125 C124 132.4(13) . .
C12A C125 H125 116.5 . .
C12B C125 H125 43.9 . .
C124 C125 H125 116.5 . .
C132 C127 C128 116.5(5) . .
C132 C127 Si9 123.3(4) . .
C128 C127 Si9 120.2(4) . .
C129 C128 C127 121.5(5) . .
C129 C128 H128 119.3 . .
C127 C128 H128 119.3 . .
C128 C129 C130 122.4(5) . .
C128 C129 H129 118.8 . .
C130 C129 H129 118.8 . .
C129 C130 C131 116.0(5) . .
C129 C130 Si11 122.7(4) . .
C131 C130 Si11 121.3(4) . .
C132 C131 C130 121.8(5) . .
C132 C131 H131 119.1 . .
C130 C131 H131 119.1 . .
C131 C132 C127 121.9(5) . .
C131 C132 H132 119.0 . .
C127 C132 H132 119.0 . .
Si11 C133 H13A 109.5 . .
Si11 C133 H13B 109.5 . .
H13A C133 H13B 109.5 . .
Si11 C133 H13C 109.5 . .
H13A C133 H13C 109.5 . .
H13B C133 H13C 109.5 . .
Si11 C134 H13D 109.5 . .
Si11 C134 H13E 109.5 . .
H13D C134 H13E 109.5 . .
Si11 C134 H13F 109.5 . .
H13D C134 H13F 109.5 . .
H13E C134 H13F 109.5 . .
C136 C135 Si11 113.2(6) . .
C136 C135 H13G 108.9 . .
Si11 C135 H13G 108.9 . .
C136 C135 H13H 108.9 . .
Si11 C135 H13H 108.9 . .
H13G C135 H13H 107.7 . .
C137 C136 C135 128.5(13) . .
C137 C136 H136 115.7 . .
C135 C136 H136 115.7 . .
C136 C137 H13I 120.0 . .
C136 C137 H13J 120.0 . .
H13I C137 H13J 120.0 . .
C139 C138 C143 116.4(4) . .
C139 C138 Si9 122.5(4) . .
C143 C138 Si9 121.2(4) . .
C140 C139 C138 121.7(5) . .
C140 C139 H139 119.2 . .
C138 C139 H139 119.2 . .
C139 C140 C141 122.1(5) . .
C139 C140 H140 118.9 . .
C141 C140 H140 118.9 . .
C140 C141 C142 115.2(5) . .
C140 C141 Si12 123.8(4) . .
C142 C141 Si12 121.0(4) . .
C143 C142 C141 123.1(5) . .
C143 C142 H142 118.4 . .
C141 C142 H142 118.4 . .
C142 C143 C138 121.4(5) . .
C142 C143 H143 119.3 . .
C138 C143 H143 119.3 . .
Si12 C144 H14A 109.5 . .
Si12 C144 H14B 109.5 . .
H14A C144 H14B 109.5 . .
Si12 C144 H14C 109.5 . .
H14A C144 H14C 109.5 . .
H14B C144 H14C 109.5 . .
Si12 C145 H14D 109.5 . .
Si12 C145 H14E 109.5 . .
H14D C145 H14E 109.5 . .
Si12 C145 H14F 109.5 . .
H14D C145 H14F 109.5 . .
H14E C145 H14F 109.5 . .
C147 C146 Si12 115.6(5) . .
C147 C146 H14G 108.4 . .
Si12 C146 H14G 108.4 . .
C147 C146 H14H 108.4 . .
Si12 C146 H14H 108.4 . .
H14G C146 H14H 107.4 . .
C148 C147 C146 128.0(11) . .
C148 C147 H147 116.0 . .
C146 C147 H147 116.0 . .
C147 C148 H14I 120.0 . .
C147 C148 H14J 120.0 . .
H14I C148 H14J 120.0 . .
C109 C149 C101 125.2(4) . 2_656
C109 C149 C150 116.5(4) . .
C101 C149 C150 118.2(4) 2_656 .
C155 C150 C151 118.3(4) . .
C155 C150 C149 123.8(4) . .
C151 C150 C149 117.8(4) . .
C152 C151 C150 120.6(5) . .
C152 C151 H151 119.7 . .
C150 C151 H151 119.7 . .
C151 C152 C153 121.2(5) . .
C151 C152 H152 119.4 . .
C153 C152 H152 119.4 . .
C154 C153 C152 117.4(4) . .
C154 C153 Si13 122.8(4) . .
C152 C153 Si13 119.8(4) . .
C153 C154 C155 122.2(5) . .
C153 C154 H154 118.9 . .
C155 C154 H154 118.9 . .
C150 C155 C154 120.3(5) . .
C150 C155 H155 119.9 . .
C154 C155 H155 119.9 . .
C161 C156 C157 115.5(5) . .
C161 C156 Si13 122.3(4) . .
C157 C156 Si13 122.3(4) . .
C158 C157 C156 122.1(5) . .
C158 C157 H157 119.0 . .
C156 C157 H157 119.0 . .
C157 C158 C159 123.0(5) . .
C157 C158 H158 118.5 . .
C159 C158 H158 118.5 . .
C158 C159 C160 114.9(5) . .
C158 C159 Si14 121.9(4) . .
C160 C159 Si14 123.2(4) . .
C161 C160 C159 122.9(5) . .
C161 C160 H160 118.5 . .
C159 C160 H160 118.5 . .
C160 C161 C156 121.6(5) . .
C160 C161 H161 119.2 . .
C156 C161 H161 119.2 . .
Si14 C162 H16A 109.5 . .
Si14 C162 H16B 109.5 . .
H16A C162 H16B 109.5 . .
Si14 C162 H16C 109.5 . .
H16A C162 H16C 109.5 . .
H16B C162 H16C 109.5 . .
Si14 C163 H16D 109.5 . .
Si14 C163 H16E 109.5 . .
H16D C163 H16E 109.5 . .
Si14 C163 H16F 109.5 . .
H16D C163 H16F 109.5 . .
H16E C163 H16F 109.5 . .
C165 C164 Si14 113.7(5) . .
C165 C164 H16G 108.8 . .
Si14 C164 H16G 108.8 . .
C165 C164 H16H 108.8 . .
Si14 C164 H16H 108.8 . .
H16G C164 H16H 107.7 . .
C166 C165 C164 126.0(8) . .
C166 C165 H165 117.0 . .
C164 C165 H165 117.0 . .
C165 C166 H16I 120.0 . .
C165 C166 H16J 120.0 . .
H16I C166 H16J 120.0 . .
C172 C167 C168 117.2(4) . .
C172 C167 Si13 120.7(4) . .
C168 C167 Si13 121.8(4) . .
C169 C168 C167 121.8(5) . .
C169 C168 H168 119.1 . .
C167 C168 H168 119.1 . .
C168 C169 C170 121.0(5) . .
C168 C169 H169 119.5 . .
C170 C169 H169 119.5 . .
C171 C170 C169 116.6(5) . .
C171 C170 Si15 119.4(4) . .
C169 C170 Si15 123.8(4) . .
C172 C171 C170 121.8(5) . .
C172 C171 H171 119.1 . .
C170 C171 H171 119.1 . .
C167 C172 C171 121.6(5) . .
C167 C172 H172 119.2 . .
C171 C172 H172 119.2 . .
Si15 C173 H17A 109.5 . .
Si15 C173 H17B 109.5 . .
H17A C173 H17B 109.5 . .
Si15 C173 H17C 109.5 . .
H17A C173 H17C 109.5 . .
H17B C173 H17C 109.5 . .
Si15 C174 H17D 109.5 . .
Si15 C174 H17E 109.5 . .
H17D C174 H17E 109.5 . .
Si15 C174 H17F 109.5 . .
H17D C174 H17F 109.5 . .
H17E C174 H17F 109.5 . .
C176 C175 Si15 108.4(5) . .
C176 C175 H17G 110.0 . .
Si15 C175 H17G 110.0 . .
C176 C175 H17H 110.0 . .
Si15 C175 H17H 110.0 . .
H17G C175 H17H 108.4 . .
C177 C176 C175 127.7(8) . .
C177 C176 H176 116.2 . .
C175 C176 H176 116.2 . .
C176 C177 H17I 120.0 . .
C176 C177 H17J 120.0 . .
H17I C177 H17J 120.0 . .
C179 C178 C183 116.2(5) . .
C179 C178 Si13 123.1(4) . .
C183 C178 Si13 120.1(4) . .
C180 C179 C178 121.4(5) . .
C180 C179 H179 119.3 . .
C178 C179 H179 119.3 . .
C179 C180 C181 122.5(5) . .
C179 C180 H180 118.7 . .
C181 C180 H180 118.7 . .
C180 C181 C182 115.0(5) . .
C180 C181 Si16 122.2(4) . .
C182 C181 Si16 122.7(4) . .
C183 C182 C181 123.1(6) . .
C183 C182 H182 118.4 . .
C181 C182 H182 118.4 . .
C182 C183 C178 121.6(6) . .
C182 C183 H183 119.2 . .
C178 C183 H183 119.2 . .
Si16 C184 H18A 109.5 . .
Si16 C184 H18B 109.5 . .
H18A C184 H18B 109.5 . .
Si16 C184 H18C 109.5 . .
H18A C184 H18C 109.5 . .
H18B C184 H18C 109.5 . .
Si16 C185 H18D 109.5 . .
Si16 C185 H18E 109.5 . .
H18D C185 H18E 109.5 . .
Si16 C185 H18F 109.5 . .
H18D C185 H18F 109.5 . .
H18E C185 H18F 109.5 . .
C187 C186 Si16 113.9(6) . .
C187 C186 H18G 108.8 . .
Si16 C186 H18G 108.8 . .
C187 C186 H18H 108.8 . .
Si16 C186 H18H 108.8 . .
H18G C186 H18H 107.7 . .
C188 C187 C186 127.6(8) . .
C188 C187 H187 116.2 . .
C186 C187 H187 116.2 . .
C187 C188 H18I 120.0 . .
C187 C188 H18J 120.0 . .
H18I C188 H18J 120.0 . .
C4 N1 C1 105.9(4) . .
C6 N2 C9 109.5(4) . .
C6 N2 H2N 125.3 . .
C9 N2 H2N 125.3 . .
C104 N3 C101 105.7(4) . .
C109 N4 C106 108.9(4) . .
C109 N4 H4N 125.5 . .
C106 N4 H4N 125.5 . .
C38 Si1 C16 111.1(2) . .
C38 Si1 C13 107.3(2) . .
C16 Si1 C13 109.5(2) . .
C38 Si1 C27 111.1(2) . .
C16 Si1 C27 109.6(2) . .
C13 Si1 C27 108.1(2) . .
C23 Si2 C22 113.0(4) . .
C23 Si2 C19 109.7(3) . .
C22 Si2 C19 109.0(3) . .
C23 Si2 C24 108.9(4) . .
C22 Si2 C24 107.4(4) . .
C19 Si2 C24 108.8(3) . .
C33 Si3 C34 110.0(3) . .
C33 Si3 C30 109.9(3) . .
C34 Si3 C30 108.0(3) . .
C33 Si3 C35 108.3(4) . .
C34 Si3 C35 109.9(3) . .
C30 Si3 C35 110.7(3) . .
C45 Si4 C44 109.8(5) . .
C45 Si4 C46 110.3(5) . .
C44 Si4 C46 108.0(5) . .
C45 Si4 C41 109.8(4) . .
C44 Si4 C41 109.9(3) . .
C46 Si4 C41 109.1(3) . .
C53 Si5 C78 108.1(2) . .
C53 Si5 C56 109.0(2) . .
C78 Si5 C56 108.0(2) . .
C53 Si5 C67 108.8(2) . .
C78 Si5 C67 110.1(2) . .
C56 Si5 C67 112.7(2) . .
C63 Si6 C64 113.4(4) . .
C63 Si6 C62 109.5(4) . .
C64 Si6 C62 104.9(3) . .
C63 Si6 C59 109.2(3) . .
C64 Si6 C59 109.3(3) . .
C62 Si6 C59 110.4(3) . .
C73 Si7 C75 113.1(4) . .
C73 Si7 C70 110.8(3) . .
C75 Si7 C70 108.6(3) . .
C73 Si7 C74 109.5(4) . .
C75 Si7 C74 108.5(4) . .
C70 Si7 C74 106.1(3) . .
C84 Si8 C86 110.8(4) . .
C84 Si8 C81 109.6(3) . .
C86 Si8 C81 109.0(3) . .
C84 Si8 C85 109.4(4) . .
C86 Si8 C85 108.5(4) . .
C81 Si8 C85 109.4(3) . .
C138 Si9 C127 110.7(2) . .
C138 Si9 C113 109.4(2) . .
C127 Si9 C113 107.5(2) . .
C138 Si9 C116 110.3(2) . .
C127 Si9 C116 110.8(2) . .
C113 Si9 C116 108.0(2) . .
C122 Si10 C119 108.1(3) . .
C122 Si10 C123 109.5(3) . .
C119 Si10 C123 109.0(3) . .
C122 Si10 C124 111.1(3) . .
C119 Si10 C124 110.8(3) . .
C123 Si10 C124 108.4(3) . .
C134 Si11 C133 110.2(4) . .
C134 Si11 C135 108.1(5) . .
C133 Si11 C135 110.2(5) . .
C134 Si11 C130 109.8(3) . .
C133 Si11 C130 109.3(4) . .
C135 Si11 C130 109.2(3) . .
C144 Si12 C145 112.2(4) . .
C144 Si12 C146 108.0(4) . .
C145 Si12 C146 108.1(4) . .
C144 Si12 C141 110.5(3) . .
C145 Si12 C141 109.4(3) . .
C146 Si12 C141 108.5(3) . .
C156 Si13 C178 108.0(2) . .
C156 Si13 C153 107.7(2) . .
C178 Si13 C153 109.1(2) . .
C156 Si13 C167 110.6(2) . .
C178 Si13 C167 112.8(2) . .
C153 Si13 C167 108.6(2) . .
C163 Si14 C164 110.9(4) . .
C163 Si14 C162 110.4(4) . .
C164 Si14 C162 107.9(4) . .
C163 Si14 C159 109.3(3) . .
C164 Si14 C159 108.5(3) . .
C162 Si14 C159 109.8(4) . .
C173 Si15 C175 112.6(4) . .
C173 Si15 C170 111.1(3) . .
C175 Si15 C170 109.0(3) . .
C173 Si15 C174 109.7(4) . .
C175 Si15 C174 108.2(4) . .
C170 Si15 C174 106.1(3) . .
C184 Si16 C186 113.3(4) . .
C184 Si16 C185 108.9(4) . .
C186 Si16 C185 105.6(3) . .
C184 Si16 C181 110.0(3) . .
C186 Si16 C181 108.8(3) . .
C185 Si16 C181 110.2(3) . .
C1O O1 H1 109.5 . .
C3O O2 H2A 109.5 . .
C3O C4O H4O1 109.5 . .
C3O C4O H4O2 109.5 . .
H4O1 C4O H4O2 109.5 . .
C3O C4O H4O3 109.5 . .
H4O1 C4O H4O3 109.5 . .
H4O2 C4O H4O3 109.5 . .
O2 C3O C4O 118.0(18) . .
O2 C3O H3O1 107.8 . .
C4O C3O H3O1 107.8 . .
O2 C3O H3O2 107.8 . .
C4O C3O H3O2 107.8 . .
H3O1 C3O H3O2 107.1 . .
C7O O4 H4 109.5 . .
C8O C7O O4 127.9(12) . .
C8O C7O H7O1 105.3 . .
O4 C7O H7O1 105.3 . .
C8O C7O H7O2 105.3 . .
O4 C7O H7O2 105.3 . .
H7O1 C7O H7O2 106.0 . .
C7O C8O H8O1 109.5 . .
C7O C8O H8O2 109.5 . .
H8O1 C8O H8O2 109.5 . .
C7O C8O H8O3 109.5 . .
H8O1 C8O H8O3 109.5 . .
H8O2 C8O H8O3 109.5 . .
C5O O3 H3A 109.5 . .
C1O C2O H2O1 109.5 . .
C1O C2O H2O2 109.5 . .
H2O1 C2O H2O2 109.5 . .
C1O C2O H2O3 109.5 . .
H2O1 C2O H2O3 109.5 . .
H2O2 C2O H2O3 109.5 . .
O1 C1O C2O 111.1(16) . .
O1 C1O H1O1 109.4 . .
C2O C1O H1O1 109.4 . .
O1 C1O H1O2 109.4 . .
C2O C1O H1O2 109.4 . .
H1O1 C1O H1O2 108.0 . .
C6O C5O O3 126.9(12) . .
C6O C5O H5O1 105.6 . .
O3 C5O H5O1 105.6 . .
C6O C5O H5O2 105.6 . .
O3 C5O H5O2 105.6 . .
H5O1 C5O H5O2 106.1 . .
C9O O5 H5 109.5 . .
O5 C9O C10O 108.9(12) . .
O5 C9O H9O1 109.9 . .
C10O C9O H9O1 109.9 . .
O5 C9O H9O2 109.9 . .
C10O C9O H9O2 109.9 . .
H9O1 C9O H9O2 108.3 . .
C5O C6O H6O1 109.5 . .
C5O C6O H6O2 109.5 . .
H6O1 C6O H6O2 109.5 . .
C5O C6O H6O3 109.5 . .
H6O1 C6O H6O3 109.5 . .
H6O2 C6O H6O3 109.5 . .
C9O C10O H10A 109.5 . .
C9O C10O H10B 109.5 . .
H10A C10O H10B 109.5 . .
C9O C10O H10C 109.5 . .
H10A C10O H10C 109.5 . .
H10B C10O H10C 109.5 . .
C11O O6 C11' 100.5(19) . .
C11O O6 H6 109.5 . .
C11' O6 H6 41.1 . .
O6 C11O C12O 114(2) . .
O6 C11O H11A 108.8 . .
C12O C11O H11A 108.7 . .
O6 C11O H11B 108.7 . .
C12O C11O H11B 108.7 . .
H11A C11O H11B 107.6 . .
C11O C12O H12M 109.5 . .
C11O C12O H12N 109.5 . .
H12M C12O H12N 109.5 . .
C11O C12O H12O 109.4 . .
H12M C12O H12O 109.5 . .
H12N C12O H12O 109.5 . .
O6 C11' C12' 110.4(19) . .
O6 C11' H11C 109.5 . .
C12' C11' H11C 109.6 . .
O6 C11' H11D 109.6 . .
C12' C11' H11D 109.6 . .
H11C C11' H11D 108.1 . .
C11' C12' H12P 109.5 . .
C11' C12' H12Q 109.5 . .
H12P C12' H12Q 109.5 . .
C11' C12' H12R 109.5 . .
H12P C12' H12R 109.5 . .
H12Q C12' H12R 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.375(6) .
C1 C49 1.415(6) 2_755
C1 C2 1.449(7) .
C2 C3 1.350(7) .
C2 H2 0.9300 .
C3 C4 1.457(7) .
C3 H3 0.9300 .
C4 N1 1.369(6) .
C4 C5 1.414(6) .
C5 C6 1.405(6) .
C5 C10 1.496(6) .
C6 N2 1.378(6) .
C6 C7 1.427(6) .
C7 C8 1.353(7) .
C7 H7 0.9300 .
C8 C9 1.433(6) .
C8 H8 0.9300 .
C9 N2 1.379(6) .
C9 C49 1.397(7) .
C10 C15 1.388(7) .
C10 C11 1.401(7) .
C11 C12 1.387(7) .
C11 H11 0.9300 .
C12 C13 1.397(7) .
C12 H12 0.9300 .
C12A C125 1.220(13) .
C12A H12A 0.9300 .
C12A H12B 0.9300 .
C12B C125 1.227(14) .
C12B H12C 0.9300 .
C12B H12D 0.9300 .
C13 C14 1.421(7) .
C13 Si1 1.889(5) .
C14 C15 1.386(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.402(7) .
C16 C21 1.421(7) .
C16 Si1 1.882(5) .
C17 C18 1.385(7) .
C17 H17 0.9300 .
C18 C19 1.402(8) .
C18 H18 0.9300 .
C19 C20 1.417(8) .
C19 Si2 1.882(6) .
C20 C21 1.390(7) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 Si2 1.870(8) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 Si2 1.871(7) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C25' 1.507(18) .
C24 C25 1.515(13) .
C24 Si2 1.886(7) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.231(17) .
C25 H25 0.9300 .
C26 H26A 0.9300 .
C26 H26B 0.9300 .
C25' C26' 1.241(19) .
C25' H25' 0.9300 .
C26' H26C 0.9300 .
C26' H26D 0.9300 .
C27 C32 1.388(7) .
C27 C28 1.398(7) .
C27 Si1 1.895(5) .
C28 C29 1.397(8) .
C28 H28 0.9300 .
C29 C30 1.406(8) .
C29 H29 0.9300 .
C30 C31 1.415(8) .
C30 Si3 1.881(6) .
C31 C32 1.385(7) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 Si3 1.858(7) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 Si3 1.873(6) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C36 1.473(15) .
C35 C36' 1.478(18) .
C35 Si3 1.890(6) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C37 1.258(17) .
C36 H36 0.9300 .
C37 H37A 0.9300 .
C37 H37B 0.9300 .
C36' C37' 1.256(19) .
C36' H36' 0.9300 .
C37' H37C 0.9300 .
C37' H37D 0.9300 .
C38 C43 1.397(7) .
C38 C39 1.417(7) .
C38 Si1 1.874(5) .
C39 C40 1.373(7) .
C39 H39 0.9300 .
C40 C41 1.418(8) .
C40 H40 0.9300 .
C41 C42 1.403(8) .
C41 Si4 1.882(6) .
C42 C43 1.383(8) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C44 Si4 1.851(8) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 Si4 1.847(9) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 C47 1.561(11) .
C46 Si4 1.874(7) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C48 1.354(15) .
C47 H47 0.9300 .
C48 H48A 0.9300 .
C48 H48B 0.9300 .
C49 C1 1.415(6) 2_755
C49 C50 1.493(7) .
C50 C51 1.389(7) .
C50 C55 1.409(7) .
C51 C52 1.401(7) .
C51 H51 0.9300 .
C52 C53 1.391(7) .
C52 H52 0.9300 .
C53 C54 1.404(7) .
C53 Si5 1.881(5) .
C54 C55 1.379(7) .
C54 H54 0.9300 .
C55 H55 0.9300 .
C56 C57 1.389(7) .
C56 C61 1.402(8) .
C56 Si5 1.888(5) .
C57 C58 1.392(7) .
C57 H57 0.9300 .
C58 C59 1.406(7) .
C58 H58 0.9300 .
C59 C60 1.393(8) .
C59 Si6 1.891(5) .
C60 C61 1.369(8) .
C60 H60 0.9300 .
C61 H61 0.9300 .
C62 Si6 1.874(7) .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 Si6 1.860(7) .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 C65 1.497(10) .
C64 Si6 1.869(7) .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C65 C66 1.323(10) .
C65 H65 0.9300 .
C66 H66A 0.9300 .
C66 H66B 0.9300 .
C67 C72 1.385(7) .
C67 C68 1.409(7) .
C67 Si5 1.898(5) .
C68 C69 1.398(7) .
C68 H68 0.9300 .
C69 C70 1.407(7) .
C69 H69 0.9300 .
C70 C71 1.400(7) .
C70 Si7 1.878(5) .
C71 C72 1.387(7) .
C71 H71 0.9300 .
C72 H72 0.9300 .
C73 Si7 1.853(7) .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C74 Si7 1.979(8) .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 C76 1.538(11) .
C75 Si7 1.855(7) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 C77 1.306(11) .
C76 H76 0.9300 .
C77 H77A 0.9300 .
C77 H77B 0.9300 .
C78 C79 1.400(7) .
C78 C83 1.409(7) .
C78 Si5 1.888(5) .
C79 C80 1.373(8) .
C79 H79 0.9300 .
C80 C81 1.407(8) .
C80 H80 0.9300 .
C81 C82 1.391(8) .
C81 Si8 1.888(6) .
C82 C83 1.380(8) .
C82 H82 0.9300 .
C83 H83 0.9300 .
C84 Si8 1.871(7) .
C84 H84A 0.9600 .
C84 H84B 0.9600 .
C84 H84C 0.9600 .
C85 Si8 1.890(8) .
C85 H85A 0.9600 .
C85 H85B 0.9600 .
C85 H85C 0.9600 .
C86 C87 1.501(10) .
C86 Si8 1.877(7) .
C86 H86A 0.9700 .
C86 H86B 0.9700 .
C87 C88 1.309(9) .
C87 H87 0.9300 .
C88 H88A 0.9300 .
C88 H88B 0.9300 .
C101 N3 1.379(6) .
C101 C149 1.411(6) 2_656
C101 C102 1.455(7) .
C102 C103 1.350(7) .
C102 H102 0.9300 .
C103 C104 1.468(6) .
C103 H103 0.9300 .
C104 N3 1.372(6) .
C104 C105 1.413(6) .
C105 C106 1.410(6) .
C105 C110 1.489(6) .
C106 N4 1.377(6) .
C106 C107 1.420(6) .
C107 C108 1.367(6) .
C107 H107 0.9300 .
C108 C109 1.441(6) .
C108 H108 0.9300 .
C109 N4 1.377(6) .
C109 C149 1.407(6) .
C110 C115 1.391(7) .
C110 C111 1.417(7) .
C111 C112 1.386(7) .
C111 H111 0.9300 .
C112 C113 1.406(7) .
C112 H112 0.9300 .
C113 C114 1.430(7) .
C113 Si9 1.884(5) .
C114 C115 1.396(6) .
C114 H114 0.9300 .
C115 H115 0.9300 .
C116 C121 1.393(7) .
C116 C117 1.410(7) .
C116 Si9 1.886(5) .
C117 C118 1.396(8) .
C117 H117 0.9300 .
C118 C119 1.403(8) .
C118 H118 0.9300 .
C119 C120 1.404(8) .
C119 Si10 1.879(6) .
C120 C121 1.388(7) .
C120 H120 0.9300 .
C121 H121 0.9300 .
C122 Si10 1.873(7) .
C122 H12E 0.9600 .
C122 H12F 0.9600 .
C122 H12G 0.9600 .
C123 Si10 1.886(7) .
C123 H12H 0.9600 .
C123 H12I 0.9600 .
C123 H12J 0.9600 .
C124 C125 1.461(9) .
C124 Si10 1.894(6) .
C124 H12K 0.9700 .
C124 H12L 0.9700 .
C125 H125 0.9300 .
C127 C132 1.400(7) .
C127 C128 1.407(7) .
C127 Si9 1.882(5) .
C128 C129 1.380(8) .
C128 H128 0.9300 .
C129 C130 1.397(8) .
C129 H129 0.9300 .
C130 C131 1.414(7) .
C130 Si11 1.893(6) .
C131 C132 1.378(7) .
C131 H131 0.9300 .
C132 H132 0.9300 .
C133 Si11 1.859(9) .
C133 H13A 0.9600 .
C133 H13B 0.9600 .
C133 H13C 0.9600 .
C134 Si11 1.855(8) .
C134 H13D 0.9600 .
C134 H13E 0.9600 .
C134 H13F 0.9600 .
C135 C136 1.556(11) .
C135 Si11 1.888(8) .
C135 H13G 0.9700 .
C135 H13H 0.9700 .
C136 C137 1.360(15) .
C136 H136 0.9300 .
C137 H13I 0.9300 .
C137 H13J 0.9300 .
C138 C139 1.404(7) .
C138 C143 1.407(7) .
C138 Si9 1.880(5) .
C139 C140 1.397(7) .
C139 H139 0.9300 .
C140 C141 1.404(8) .
C140 H140 0.9300 .
C141 C142 1.411(7) .
C141 Si12 1.882(5) .
C142 C143 1.377(7) .
C142 H142 0.9300 .
C143 H143 0.9300 .
C144 Si12 1.856(8) .
C144 H14A 0.9600 .
C144 H14B 0.9600 .
C144 H14C 0.9600 .
C145 Si12 1.856(8) .
C145 H14D 0.9600 .
C145 H14E 0.9600 .
C145 H14F 0.9600 .
C146 C147 1.521(9) .
C146 Si12 1.881(8) .
C146 H14G 0.9700 .
C146 H14H 0.9700 .
C147 C148 1.259(12) .
C147 H147 0.9300 .
C148 H14I 0.9300 .
C148 H14J 0.9300 .
C149 C101 1.411(6) 2_656
C149 C150 1.493(7) .
C150 C155 1.389(7) .
C150 C151 1.405(7) .
C151 C152 1.391(7) .
C151 H151 0.9300 .
C152 C153 1.403(7) .
C152 H152 0.9300 .
C153 C154 1.383(7) .
C153 Si13 1.887(5) .
C154 C155 1.396(7) .
C154 H154 0.9300 .
C155 H155 0.9300 .
C156 C161 1.408(7) .
C156 C157 1.411(7) .
C156 Si13 1.879(5) .
C157 C158 1.376(8) .
C157 H157 0.9300 .
C158 C159 1.389(8) .
C158 H158 0.9300 .
C159 C160 1.417(8) .
C159 Si14 1.877(6) .
C160 C161 1.375(8) .
C160 H160 0.9300 .
C161 H161 0.9300 .
C162 Si14 1.867(8) .
C162 H16A 0.9600 .
C162 H16B 0.9600 .
C162 H16C 0.9600 .
C163 Si14 1.859(7) .
C163 H16D 0.9600 .
C163 H16E 0.9600 .
C163 H16F 0.9600 .
C164 C165 1.497(10) .
C164 Si14 1.862(7) .
C164 H16G 0.9700 .
C164 H16H 0.9700 .
C165 C166 1.333(10) .
C165 H165 0.9300 .
C166 H16I 0.9300 .
C166 H16J 0.9300 .
C167 C172 1.386(7) .
C167 C168 1.399(7) .
C167 Si13 1.895(5) .
C168 C169 1.392(7) .
C168 H168 0.9300 .
C169 C170 1.409(7) .
C169 H169 0.9300 .
C170 C171 1.403(7) .
C170 Si15 1.881(5) .
C171 C172 1.390(7) .
C171 H171 0.9300 .
C172 H172 0.9300 .
C173 Si15 1.851(7) .
C173 H17A 0.9600 .
C173 H17B 0.9600 .
C173 H17C 0.9600 .
C174 Si15 1.971(8) .
C174 H17D 0.9600 .
C174 H17E 0.9600 .
C174 H17F 0.9600 .
C175 C176 1.514(10) .
C175 Si15 1.856(7) .
C175 H17G 0.9700 .
C175 H17H 0.9700 .
C176 C177 1.338(11) .
C176 H176 0.9300 .
C177 H17I 0.9300 .
C177 H17J 0.9300 .
C178 C179 1.395(7) .
C178 C183 1.401(8) .
C178 Si13 1.880(5) .
C179 C180 1.391(7) .
C179 H179 0.9300 .
C180 C181 1.395(7) .
C180 H180 0.9300 .
C181 C182 1.401(8) .
C181 Si16 1.890(5) .
C182 C183 1.369(8) .
C182 H182 0.9300 .
C183 H183 0.9300 .
C184 Si16 1.857(6) .
C184 H18A 0.9600 .
C184 H18B 0.9600 .
C184 H18C 0.9600 .
C185 Si16 1.867(7) .
C185 H18D 0.9600 .
C185 H18E 0.9600 .
C185 H18F 0.9600 .
C186 C187 1.485(10) .
C186 Si16 1.866(7) .
C186 H18G 0.9700 .
C186 H18H 0.9700 .
C187 C188 1.303(10) .
C187 H187 0.9300 .
C188 H18I 0.9300 .
C188 H18J 0.9300 .
N2 H2N 0.8600 .
N4 H4N 0.8600 .
O1 C1O 1.388(13) .
O1 H1 0.8200 .
O2 C3O 1.244(19) .
O2 H2A 0.8200 .
C4O C3O 1.403(16) .
C4O H4O1 0.9600 .
C4O H4O2 0.9600 .
C4O H4O3 0.9600 .
C3O H3O1 0.9700 .
C3O H3O2 0.9700 .
O4 C7O 1.407(13) .
O4 H4 0.8200 .
C7O C8O 1.326(14) .
C7O H7O1 0.9700 .
C7O H7O2 0.9700 .
C8O H8O1 0.9600 .
C8O H8O2 0.9600 .
C8O H8O3 0.9600 .
O3 C5O 1.430(13) .
O3 H3A 0.8200 .
C2O C1O 1.401(15) .
C2O H2O1 0.9600 .
C2O H2O2 0.9600 .
C2O H2O3 0.9600 .
C1O H1O1 0.9700 .
C1O H1O2 0.9700 .
C5O C6O 1.342(15) .
C5O H5O1 0.9700 .
C5O H5O2 0.9700 .
O5 C9O 1.393(15) .
O5 H5 0.8200 .
C9O C10O 1.503(14) .
C9O H9O1 0.9700 .
C9O H9O2 0.9700 .
C6O H6O1 0.9600 .
C6O H6O2 0.9600 .
C6O H6O3 0.9600 .
C10O H10A 0.9600 .
C10O H10B 0.9600 .
C10O H10C 0.9600 .
O6 C11O 1.261(16) .
O6 C11' 1.375(18) .
O6 H6 0.8200 .
C11O C12O 1.432(17) .
C11O H11A 0.9700 .
C11O H11B 0.9700 .
C12O H12M 0.9600 .
C12O H12N 0.9600 .
C12O H12O 0.9600 .
C11' C12' 1.523(18) .
C11' H11C 0.9700 .
C11' H11D 0.9700 .
C12' H12P 0.9600 .
C12' H12Q 0.9600 .
C12' H12R 0.9600 .
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
N1 C1 C2 C3 -1.0(6) . .
C49 C1 C2 C3 179.6(5) 2_755 .
C1 C2 C3 C4 1.7(6) . .
C2 C3 C4 N1 -1.8(6) . .
C2 C3 C4 C5 174.2(5) . .
N1 C4 C5 C6 3.1(8) . .
C3 C4 C5 C6 -172.3(4) . .
N1 C4 C5 C10 -178.6(4) . .
C3 C4 C5 C10 6.0(7) . .
C4 C5 C6 N2 -4.9(7) . .
C10 C5 C6 N2 176.8(4) . .
C4 C5 C6 C7 179.7(5) . .
C10 C5 C6 C7 1.4(7) . .
N2 C6 C7 C8 -0.3(5) . .
C5 C6 C7 C8 175.8(4) . .
C6 C7 C8 C9 -1.2(5) . .
C7 C8 C9 N2 2.2(5) . .
C7 C8 C9 C49 -174.3(5) . .
C6 C5 C10 C15 -114.5(5) . .
C4 C5 C10 C15 67.1(6) . .
C6 C5 C10 C11 65.4(6) . .
C4 C5 C10 C11 -113.0(5) . .
C15 C10 C11 C12 2.5(7) . .
C5 C10 C11 C12 -177.3(4) . .
C10 C11 C12 C13 -1.3(8) . .
C11 C12 C13 C14 -0.6(7) . .
C11 C12 C13 Si1 175.8(4) . .
C12 C13 C14 C15 1.2(7) . .
Si1 C13 C14 C15 -175.3(4) . .
C13 C14 C15 C10 0.1(7) . .
C11 C10 C15 C14 -1.9(7) . .
C5 C10 C15 C14 177.9(4) . .
C21 C16 C17 C18 1.3(7) . .
Si1 C16 C17 C18 -177.3(4) . .
C16 C17 C18 C19 -0.9(8) . .
C17 C18 C19 C20 -0.2(8) . .
C17 C18 C19 Si2 -179.2(4) . .
C18 C19 C20 C21 0.9(8) . .
Si2 C19 C20 C21 179.9(4) . .
C19 C20 C21 C16 -0.5(8) . .
C17 C16 C21 C20 -0.6(7) . .
Si1 C16 C21 C20 178.0(4) . .
C25' C24 C25 C26 1(9) . .
Si2 C24 C25 C26 102(2) . .
C25 C24 C25' C26' -158(16) . .
Si2 C24 C25' C26' 116(7) . .
C32 C27 C28 C29 0.0(7) . .
Si1 C27 C28 C29 178.3(4) . .
C27 C28 C29 C30 1.2(8) . .
C28 C29 C30 C31 -1.3(8) . .
C28 C29 C30 Si3 176.6(4) . .
C29 C30 C31 C32 0.3(8) . .
Si3 C30 C31 C32 -177.6(4) . .
C30 C31 C32 C27 0.8(8) . .
C28 C27 C32 C31 -1.0(7) . .
Si1 C27 C32 C31 -179.3(4) . .
C36' C35 C36 C37 -14(20) . .
Si3 C35 C36 C37 -102(3) . .
C36 C35 C36' C37' 28(20) . .
Si3 C35 C36' C37' 122(2) . .
C43 C38 C39 C40 0.7(7) . .
Si1 C38 C39 C40 179.6(4) . .
C38 C39 C40 C41 -0.1(8) . .
C39 C40 C41 C42 -0.9(8) . .
C39 C40 C41 Si4 180.0(4) . .
C40 C41 C42 C43 1.4(9) . .
Si4 C41 C42 C43 -179.5(5) . .
C41 C42 C43 C38 -0.9(9) . .
C39 C38 C43 C42 -0.2(8) . .
Si1 C38 C43 C42 -179.2(5) . .
Si4 C46 C47 C48 -100.7(14) . .
N2 C9 C49 C1 9.7(8) . 2_755
C8 C9 C49 C1 -174.4(5) . 2_755
N2 C9 C49 C50 -166.5(5) . .
C8 C9 C49 C50 9.4(7) . .
C9 C49 C50 C51 -121.5(5) . .
C1 C49 C50 C51 62.0(7) 2_755 .
C9 C49 C50 C55 61.5(6) . .
C1 C49 C50 C55 -115.0(5) 2_755 .
C55 C50 C51 C52 2.2(8) . .
C49 C50 C51 C52 -174.9(5) . .
C50 C51 C52 C53 -1.9(8) . .
C51 C52 C53 C54 0.6(8) . .
C51 C52 C53 Si5 -178.9(4) . .
C52 C53 C54 C55 0.4(8) . .
Si5 C53 C54 C55 179.9(4) . .
C53 C54 C55 C50 -0.1(8) . .
C51 C50 C55 C54 -1.2(7) . .
C49 C50 C55 C54 176.0(5) . .
C61 C56 C57 C58 -2.7(8) . .
Si5 C56 C57 C58 -174.6(4) . .
C56 C57 C58 C59 1.0(8) . .
C57 C58 C59 C60 1.8(8) . .
C57 C58 C59 Si6 177.8(4) . .
C58 C59 C60 C61 -2.9(10) . .
Si6 C59 C60 C61 -178.8(6) . .
C59 C60 C61 C56 1.2(12) . .
C57 C56 C61 C60 1.7(10) . .
Si5 C56 C61 C60 173.8(6) . .
Si6 C64 C65 C66 -106.0(9) . .
C72 C67 C68 C69 -2.0(7) . .
Si5 C67 C68 C69 -176.3(4) . .
C67 C68 C69 C70 1.2(7) . .
C68 C69 C70 C71 -0.7(7) . .
C68 C69 C70 Si7 -175.0(4) . .
C69 C70 C71 C72 1.2(7) . .
Si7 C70 C71 C72 175.7(4) . .
C68 C67 C72 C71 2.6(7) . .
Si5 C67 C72 C71 176.8(4) . .
C70 C71 C72 C67 -2.2(8) . .
Si7 C75 C76 C77 105.2(8) . .
C83 C78 C79 C80 -0.1(8) . .
Si5 C78 C79 C80 -177.6(4) . .
C78 C79 C80 C81 1.2(9) . .
C79 C80 C81 C82 -2.3(9) . .
C79 C80 C81 Si8 174.9(4) . .
C80 C81 C82 C83 2.4(9) . .
Si8 C81 C82 C83 -174.7(5) . .
C81 C82 C83 C78 -1.5(10) . .
C79 C78 C83 C82 0.3(8) . .
Si5 C78 C83 C82 177.8(5) . .
Si8 C86 C87 C88 112.0(7) . .
N3 C101 C102 C103 -1.6(6) . .
C149 C101 C102 C103 179.6(5) 2_656 .
C101 C102 C103 C104 2.4(6) . .
C102 C103 C104 N3 -2.6(6) . .
C102 C103 C104 C105 173.9(5) . .
N3 C104 C105 C106 3.0(8) . .
C103 C104 C105 C106 -173.0(4) . .
N3 C104 C105 C110 -178.1(4) . .
C103 C104 C105 C110 5.9(7) . .
C104 C105 C106 N4 -4.5(7) . .
C110 C105 C106 N4 176.6(4) . .
C104 C105 C106 C107 179.3(5) . .
C110 C105 C106 C107 0.3(7) . .
N4 C106 C107 C108 -0.7(5) . .
C105 C106 C107 C108 176.1(4) . .
C106 C107 C108 C109 -0.8(5) . .
C107 C108 C109 N4 2.1(5) . .
C107 C108 C109 C149 -175.1(5) . .
C106 C105 C110 C115 -113.5(5) . .
C104 C105 C110 C115 67.5(6) . .
C106 C105 C110 C111 65.6(6) . .
C104 C105 C110 C111 -113.4(5) . .
C115 C110 C111 C112 1.1(7) . .
C105 C110 C111 C112 -178.0(4) . .
C110 C111 C112 C113 0.1(8) . .
C111 C112 C113 C114 -1.6(7) . .
C111 C112 C113 Si9 175.3(4) . .
C112 C113 C114 C115 2.1(7) . .
Si9 C113 C114 C115 -174.9(4) . .
C111 C110 C115 C114 -0.7(7) . .
C105 C110 C115 C114 178.5(4) . .
C113 C114 C115 C110 -1.0(7) . .
C121 C116 C117 C118 -0.6(7) . .
Si9 C116 C117 C118 178.5(4) . .
C116 C117 C118 C119 1.5(8) . .
C117 C118 C119 C120 -1.4(7) . .
C117 C118 C119 Si10 176.4(4) . .
C118 C119 C120 C121 0.5(8) . .
Si10 C119 C120 C121 -177.4(4) . .
C119 C120 C121 C116 0.5(8) . .
C117 C116 C121 C120 -0.4(7) . .
Si9 C116 C121 C120 -179.5(4) . .
Si10 C124 C125 C12A 122.9(13) . .
Si10 C124 C125 C12B -107.7(15) . .
C132 C127 C128 C129 -0.1(8) . .
Si9 C127 C128 C129 -179.0(4) . .
C127 C128 C129 C130 -0.4(9) . .
C128 C129 C130 C131 0.2(9) . .
C128 C129 C130 Si11 -178.8(5) . .
C129 C130 C131 C132 0.5(8) . .
Si11 C130 C131 C132 179.5(4) . .
C130 C131 C132 C127 -1.0(8) . .
C128 C127 C132 C131 0.8(7) . .
Si9 C127 C132 C131 179.7(4) . .
Si11 C135 C136 C137 -99.3(14) . .
C143 C138 C139 C140 1.9(7) . .
Si9 C138 C139 C140 -176.7(4) . .
C138 C139 C140 C141 -2.2(8) . .
C139 C140 C141 C142 1.0(8) . .
C139 C140 C141 Si12 -179.0(4) . .
C140 C141 C142 C143 0.3(8) . .
Si12 C141 C142 C143 -179.6(4) . .
C141 C142 C143 C138 -0.5(8) . .
C139 C138 C143 C142 -0.5(7) . .
Si9 C138 C143 C142 178.0(4) . .
Si12 C146 C147 C148 105.9(10) . .
N4 C109 C149 C101 9.3(8) . 2_656
C108 C109 C149 C101 -174.0(5) . 2_656
N4 C109 C149 C150 -167.0(5) . .
C108 C109 C149 C150 9.7(7) . .
C109 C149 C150 C155 -122.1(5) . .
C101 C149 C150 C155 61.3(7) 2_656 .
C109 C149 C150 C151 61.5(6) . .
C101 C149 C150 C151 -115.1(5) 2_656 .
C155 C150 C151 C152 -1.0(7) . .
C149 C150 C151 C152 175.6(5) . .
C150 C151 C152 C153 -0.3(8) . .
C151 C152 C153 C154 0.5(8) . .
C151 C152 C153 Si13 179.7(4) . .
C152 C153 C154 C155 0.6(8) . .
Si13 C153 C154 C155 -178.6(4) . .
C151 C150 C155 C154 2.0(8) . .
C149 C150 C155 C154 -174.4(5) . .
C153 C154 C155 C150 -1.9(8) . .
C161 C156 C157 C158 -2.8(8) . .
Si13 C156 C157 C158 177.1(5) . .
C156 C157 C158 C159 1.6(10) . .
C157 C158 C159 C160 0.8(9) . .
C157 C158 C159 Si14 -175.8(5) . .
C158 C159 C160 C161 -1.9(9) . .
Si14 C159 C160 C161 174.6(4) . .
C159 C160 C161 C156 0.7(9) . .
C157 C156 C161 C160 1.6(8) . .
Si13 C156 C161 C160 -178.3(4) . .
Si14 C164 C165 C166 113.5(7) . .
C172 C167 C168 C169 -1.1(7) . .
Si13 C167 C168 C169 -175.8(4) . .
C167 C168 C169 C170 -0.2(7) . .
C168 C169 C170 C171 0.8(7) . .
C168 C169 C170 Si15 -174.5(4) . .
C169 C170 C171 C172 -0.1(7) . .
Si15 C170 C171 C172 175.4(4) . .
C168 C167 C172 C171 1.7(7) . .
Si13 C167 C172 C171 176.5(4) . .
C170 C171 C172 C167 -1.2(8) . .
Si15 C175 C176 C177 105.1(8) . .
C183 C178 C179 C180 -3.3(8) . .
Si13 C178 C179 C180 -174.5(4) . .
C178 C179 C180 C181 1.5(9) . .
C179 C180 C181 C182 0.8(9) . .
C179 C180 C181 Si16 178.0(4) . .
C180 C181 C182 C183 -1.2(11) . .
Si16 C181 C182 C183 -178.3(6) . .
C181 C182 C183 C178 -0.7(12) . .
C179 C178 C183 C182 3.0(10) . .
Si13 C178 C183 C182 174.4(6) . .
Si16 C186 C187 C188 -107.2(9) . .
C5 C4 N1 C1 -174.7(5) . .
C3 C4 N1 C1 1.2(5) . .
C49 C1 N1 C4 179.2(5) 2_755 .
C2 C1 N1 C4 -0.1(5) . .
C5 C6 N2 C9 -174.4(4) . .
C7 C6 N2 C9 1.7(5) . .
C49 C9 N2 C6 174.1(5) . .
C8 C9 N2 C6 -2.4(5) . .
C105 C104 N3 C101 -174.9(5) . .
C103 C104 N3 C101 1.5(5) . .
C149 C101 N3 C104 178.8(5) 2_656 .
C102 C101 N3 C104 0.0(5) . .
C149 C109 N4 C106 174.6(5) . .
C108 C109 N4 C106 -2.6(5) . .
C105 C106 N4 C109 -174.7(4) . .
C107 C106 N4 C109 2.1(5) . .
C43 C38 Si1 C16 -167.6(4) . .
C39 C38 Si1 C16 13.5(5) . .
C43 C38 Si1 C13 -48.0(5) . .
C39 C38 Si1 C13 133.2(4) . .
C43 C38 Si1 C27 70.0(5) . .
C39 C38 Si1 C27 -108.8(4) . .
C17 C16 Si1 C38 -119.5(4) . .
C21 C16 Si1 C38 62.0(4) . .
C17 C16 Si1 C13 122.1(4) . .
C21 C16 Si1 C13 -56.3(5) . .
C17 C16 Si1 C27 3.7(5) . .
C21 C16 Si1 C27 -174.7(4) . .
C12 C13 Si1 C38 137.1(4) . .
C14 C13 Si1 C38 -46.6(4) . .
C12 C13 Si1 C16 -102.2(4) . .
C14 C13 Si1 C16 74.1(4) . .
C12 C13 Si1 C27 17.2(5) . .
C14 C13 Si1 C27 -166.5(4) . .
C32 C27 Si1 C38 -3.7(5) . .
C28 C27 Si1 C38 178.0(4) . .
C32 C27 Si1 C16 -126.9(4) . .
C28 C27 Si1 C16 54.8(5) . .
C32 C27 Si1 C13 113.8(4) . .
C28 C27 Si1 C13 -64.5(4) . .
C18 C19 Si2 C23 -5.9(6) . .
C20 C19 Si2 C23 175.1(5) . .
C18 C19 Si2 C22 -130.1(5) . .
C20 C19 Si2 C22 50.9(6) . .
C18 C19 Si2 C24 113.1(5) . .
C20 C19 Si2 C24 -65.9(5) . .
C25' C24 Si2 C23 -54(2) . .
C25 C24 Si2 C23 -70.0(14) . .
C25' C24 Si2 C22 68(2) . .
C25 C24 Si2 C22 52.7(14) . .
C25' C24 Si2 C19 -174(2) . .
C25 C24 Si2 C19 170.5(14) . .
C29 C30 Si3 C33 -24.3(5) . .
C31 C30 Si3 C33 153.5(5) . .
C29 C30 Si3 C34 -144.3(5) . .
C31 C30 Si3 C34 33.5(5) . .
C29 C30 Si3 C35 95.3(5) . .
C31 C30 Si3 C35 -86.9(5) . .
C36 C35 Si3 C33 -179.0(12) . .
C36' C35 Si3 C33 174.2(14) . .
C36 C35 Si3 C34 -58.7(13) . .
C36' C35 Si3 C34 -65.5(14) . .
C36 C35 Si3 C30 60.5(13) . .
C36' C35 Si3 C30 53.7(14) . .
C47 C46 Si4 C45 -67.8(10) . .
C47 C46 Si4 C44 52.1(10) . .
C47 C46 Si4 C41 171.5(8) . .
C42 C41 Si4 C45 -56.8(6) . .
C40 C41 Si4 C45 122.3(6) . .
C42 C41 Si4 C44 -177.6(6) . .
C40 C41 Si4 C44 1.5(6) . .
C42 C41 Si4 C46 64.2(7) . .
C40 C41 Si4 C46 -116.7(6) . .
C52 C53 Si5 C78 -148.4(4) . .
C54 C53 Si5 C78 32.1(5) . .
C52 C53 Si5 C56 94.4(5) . .
C54 C53 Si5 C56 -85.1(5) . .
C52 C53 Si5 C67 -28.8(5) . .
C54 C53 Si5 C67 151.7(4) . .
C79 C78 Si5 C53 52.5(5) . .
C83 C78 Si5 C53 -124.8(4) . .
C79 C78 Si5 C56 170.4(4) . .
C83 C78 Si5 C56 -7.0(5) . .
C79 C78 Si5 C67 -66.2(4) . .
C83 C78 Si5 C67 116.4(4) . .
C57 C56 Si5 C53 -153.7(4) . .
C61 C56 Si5 C53 34.8(6) . .
C57 C56 Si5 C78 89.1(5) . .
C61 C56 Si5 C78 -82.4(5) . .
C57 C56 Si5 C67 -32.7(5) . .
C61 C56 Si5 C67 155.7(5) . .
C72 C67 Si5 C53 -106.2(4) . .
C68 C67 Si5 C53 67.8(4) . .
C72 C67 Si5 C78 12.1(5) . .
C68 C67 Si5 C78 -173.9(4) . .
C72 C67 Si5 C56 132.7(4) . .
C68 C67 Si5 C56 -53.3(4) . .
C65 C64 Si6 C63 -58.2(6) . .
C65 C64 Si6 C62 -177.7(5) . .
C65 C64 Si6 C59 63.9(6) . .
C60 C59 Si6 C63 1.6(7) . .
C58 C59 Si6 C63 -174.1(5) . .
C60 C59 Si6 C64 -123.0(6) . .
C58 C59 Si6 C64 61.3(5) . .
C60 C59 Si6 C62 122.1(6) . .
C58 C59 Si6 C62 -53.6(5) . .
C76 C75 Si7 C73 -66.9(6) . .
C76 C75 Si7 C70 56.4(6) . .
C76 C75 Si7 C74 171.4(5) . .
C71 C70 Si7 C73 -179.5(5) . .
C69 C70 Si7 C73 -5.4(5) . .
C71 C70 Si7 C75 55.7(5) . .
C69 C70 Si7 C75 -130.2(5) . .
C71 C70 Si7 C74 -60.8(5) . .
C69 C70 Si7 C74 113.3(5) . .
C87 C86 Si8 C84 59.5(6) . .
C87 C86 Si8 C81 -61.3(6) . .
C87 C86 Si8 C85 179.7(5) . .
C82 C81 Si8 C84 -167.7(5) . .
C80 C81 Si8 C84 15.3(6) . .
C82 C81 Si8 C86 -46.2(6) . .
C80 C81 Si8 C86 136.8(5) . .
C82 C81 Si8 C85 72.3(6) . .
C80 C81 Si8 C85 -104.7(6) . .
C139 C138 Si9 C127 -119.5(4) . .
C143 C138 Si9 C127 62.0(4) . .
C139 C138 Si9 C113 122.2(4) . .
C143 C138 Si9 C113 -56.3(5) . .
C139 C138 Si9 C116 3.6(5) . .
C143 C138 Si9 C116 -174.9(4) . .
C132 C127 Si9 C138 13.9(5) . .
C128 C127 Si9 C138 -167.3(4) . .
C132 C127 Si9 C113 133.3(4) . .
C128 C127 Si9 C113 -47.8(5) . .
C132 C127 Si9 C116 -108.9(4) . .
C128 C127 Si9 C116 70.0(4) . .
C112 C113 Si9 C138 -102.9(4) . .
C114 C113 Si9 C138 73.9(4) . .
C112 C113 Si9 C127 136.8(4) . .
C114 C113 Si9 C127 -46.4(4) . .
C112 C113 Si9 C116 17.2(5) . .
C114 C113 Si9 C116 -166.0(4) . .
C121 C116 Si9 C138 -126.3(4) . .
C117 C116 Si9 C138 54.6(4) . .
C121 C116 Si9 C127 -3.4(5) . .
C117 C116 Si9 C127 177.6(4) . .
C121 C116 Si9 C113 114.2(4) . .
C117 C116 Si9 C113 -64.9(4) . .
C118 C119 Si10 C122 -143.6(5) . .
C120 C119 Si10 C122 34.1(5) . .
C118 C119 Si10 C123 -24.7(5) . .
C120 C119 Si10 C123 153.0(4) . .
C118 C119 Si10 C124 94.4(5) . .
C120 C119 Si10 C124 -87.9(5) . .
C125 C124 Si10 C122 -61.7(7) . .
C125 C124 Si10 C119 58.4(7) . .
C125 C124 Si10 C123 178.0(6) . .
C136 C135 Si11 C134 53.7(10) . .
C136 C135 Si11 C133 -66.8(10) . .
C136 C135 Si11 C130 173.2(8) . .
C129 C130 Si11 C134 -178.2(6) . .
C131 C130 Si11 C134 2.9(6) . .
C129 C130 Si11 C133 -57.2(6) . .
C131 C130 Si11 C133 123.9(6) . .
C129 C130 Si11 C135 63.4(7) . .
C131 C130 Si11 C135 -115.6(6) . .
C147 C146 Si12 C144 -65.7(7) . .
C147 C146 Si12 C145 56.0(7) . .
C147 C146 Si12 C141 174.5(6) . .
C140 C141 Si12 C144 -5.0(6) . .
C142 C141 Si12 C144 175.0(5) . .
C140 C141 Si12 C145 -129.0(5) . .
C142 C141 Si12 C145 50.9(6) . .
C140 C141 Si12 C146 113.3(5) . .
C142 C141 Si12 C146 -66.7(5) . .
C161 C156 Si13 C178 171.0(4) . .
C157 C156 Si13 C178 -8.9(5) . .
C161 C156 Si13 C153 53.3(5) . .
C157 C156 Si13 C153 -126.6(4) . .
C161 C156 Si13 C167 -65.2(5) . .
C157 C156 Si13 C167 114.9(4) . .
C179 C178 Si13 C156 89.8(5) . .
C183 C178 Si13 C156 -81.1(5) . .
C179 C178 Si13 C153 -153.5(4) . .
C183 C178 Si13 C153 35.7(6) . .
C179 C178 Si13 C167 -32.7(5) . .
C183 C178 Si13 C167 156.4(5) . .
C154 C153 Si13 C156 -148.7(4) . .
C152 C153 Si13 C156 32.1(5) . .
C154 C153 Si13 C178 94.3(5) . .
C152 C153 Si13 C178 -84.9(5) . .
C154 C153 Si13 C167 -29.0(5) . .
C152 C153 Si13 C167 151.9(4) . .
C172 C167 Si13 C156 11.6(4) . .
C168 C167 Si13 C156 -173.9(4) . .
C172 C167 Si13 C178 132.6(4) . .
C168 C167 Si13 C178 -52.9(4) . .
C172 C167 Si13 C153 -106.3(4) . .
C168 C167 Si13 C153 68.1(4) . .
C165 C164 Si14 C163 58.5(6) . .
C165 C164 Si14 C162 179.6(6) . .
C165 C164 Si14 C159 -61.6(6) . .
C158 C159 Si14 C163 -167.8(6) . .
C160 C159 Si14 C163 15.9(6) . .
C158 C159 Si14 C164 -46.7(6) . .
C160 C159 Si14 C164 137.0(5) . .
C158 C159 Si14 C162 71.0(6) . .
C160 C159 Si14 C162 -105.4(6) . .
C176 C175 Si15 C173 -68.2(6) . .
C176 C175 Si15 C170 55.4(6) . .
C176 C175 Si15 C174 170.3(5) . .
C171 C170 Si15 C173 179.9(5) . .
C169 C170 Si15 C173 -5.0(5) . .
C171 C170 Si15 C175 55.3(5) . .
C169 C170 Si15 C175 -129.5(5) . .
C171 C170 Si15 C174 -60.9(5) . .
C169 C170 Si15 C174 114.2(5) . .
C187 C186 Si16 C184 -58.8(6) . .
C187 C186 Si16 C185 -177.9(5) . .
C187 C186 Si16 C181 63.8(6) . .
C180 C181 Si16 C184 -174.5(5) . .
C182 C181 Si16 C184 2.4(7) . .
C180 C181 Si16 C186 60.8(6) . .
C182 C181 Si16 C186 -122.2(6) . .
C180 C181 Si16 C185 -54.5(6) . .
C182 C181 Si16 C185 122.4(6) . .
C11' O6 C11O C12O -20(3) . .
C11O O6 C11' C12' -46(3) . .
