#------------------------------------------------------------------------------
#$Date: 2024-03-04 21:56:26 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290108 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/26/7132601.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_7132601
loop_
_publ_author_name
'Guthardt, Robin'
'Jones, Cameron'
_publ_section_title
;
 A bromo(boryloxy) silylene and its heavier analogues.
;
_journal_issue                   12
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1583
_journal_page_last               1586
_journal_paper_doi               10.1039/d3cc05760g
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C54 H76 B3 Cl Ge N6 O, 1.25(C6 H6)'
_chemical_formula_sum            'C61.5 H83.5 B3 Cl Ge N6 O'
_chemical_formula_weight         1063.31
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2023-10-27
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-11-23 deposited with the CCDC.	2024-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                95.160(3)
_cell_angle_beta                 97.087(3)
_cell_angle_gamma                89.930(3)
_cell_formula_units_Z            8
_cell_length_a                   16.4864(6)
_cell_length_b                   16.4582(5)
_cell_length_c                   44.1370(14)
_cell_measurement_reflns_used    102486
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.60
_cell_measurement_theta_min      0.93
_cell_volume                     11835.7(7)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_unetI/netI     0.0561
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            73606
_diffrn_reflns_point_group_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        25.117
_diffrn_reflns_theta_max         25.117
_diffrn_reflns_theta_min         1.242
_diffrn_source                   'Genix Mo HF'
_exptl_absorpt_coefficient_mu    0.607
_exptl_absorpt_correction_T_max  0.9524
_exptl_absorpt_correction_T_min  0.8960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270. Afterwards scaling of
reflection intensities was performed within STOE LANA. J. Koziskova, F. Hahn,
J. Richter, J. Kozisek, Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136-140.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4532
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.682
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2658
_refine_ls_number_reflns         40545
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0835
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1071P)²+26.2246P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2218
_refine_ls_wR_factor_ref         0.2418
_reflns_Friedel_coverage         0.000
_reflns_number_gt                30639
_reflns_number_total             40545
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc05760g2.cif
_cod_data_source_block           i3480
_cod_depositor_comments
'Adding full bibliography for 7132597--7132603.cif.'
_cod_original_formula_sum        'C61.50 H83.50 B3 Cl Ge N6 O'
_cod_database_code               7132601
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.953
_shelx_estimated_absorpt_t_min   0.899
_olex2_refinement_description
;
1. Restrained distances
 C116-C1A \\sim C116-C121
 with sigma of 0.02
 C122-C1A \\sim C122-C121
 with sigma of 0.02
 C1A-C1B \\sim C121-C1C
 with sigma of 0.02
 C116-C1B \\sim C116-C1C
 with sigma of 0.04
 C122-C1B \\sim C122-C1C
 with sigma of 0.04
2. Others
 Fixed Sof: H12G(0.5) H12H(0.5) H12I(0.5) H12J(0.5) H12K(0.5) H12L(0.5)
 C1A(0.5) H1A(0.5) C1B(0.5) H1BA(0.5) H1BB(0.5) H1BC(0.5) C121(0.5) H121(0.5)
 C1C(0.5) H1CA(0.5) H1CB(0.5) H1CC(0.5)
3.a Ternary CH refined with riding coordinates:
 C145(H145), C187(H187), C90(H90), C49(H49), C190(H190), C175(H175), C81(H81),
 C93(H93), C37(H37), C52(H52), C40(H40), C148(H148), C199(H199), C124(H124),
 C160(H160), C178(H178), C16(H16), C105(H105), C66(H66), C133(H133), C28(H28),
 C214(H214), C202(H202), C25(H25), C69(H69), C157(H157), C13(H13), C211(H211),
 C78(H78), C136(H136), C1A(H1A), C102(H102), C121(H121)
3.b Secondary CH2 refined with riding coordinates:
 C55(H55A,H55B), C164(H16G,H16H), C163(H16I,H16J), C2(H2A,H2B), C1(H1B,H1C),
 C56(H56A,H56B), C110(H11A,H11B), C109(H10A,H10B)
3.c Aromatic/amide H refined with riding coordinates:
 C60(H60), C166(H166), C59(H59), C5(H5), C3(H3), C45(H45), C6(H6), C57(H57),
 C86(H86), C74(H74), C112(H112), C165(H165), C185(H185), C4(H4), C63(H63),
 C88(H88), C75(H75), C183(H183), C114(H114), C113(H113), C9(H9), C47(H47),
 C184(H184), C141(H141), C33(H33), C11(H11), C10(H10), C195(H195), C173(H173),
 C143(H143), C65(H65), C46(H46), C21(H21), C167(H167), C64(H64), C171(H171),
 C168(H168), C58(H58), C76(H76), C23(H23), C35(H35), C196(H196), C142(H142),
 C117(H117), C119(H119), C118(H118), C172(H172), C87(H87), C197(H197), C22(H22),
  C34(H34), C111(H111), C155(H155), C153(H153), C98(H98), C207(H207),
 C129(H129), C131(H131), C209(H209), C130(H130), C100(H100), C154(H154),
 C208(H208), C99(H99), C220(H220), C221(H221), C222(H222), C217(H217),
 C218(H218), C219(H219), C237(H237), C236(H236), C235(H235), C240(H240),
 C239(H239), C238(H238), C245(H245), C246(H246), C241(H241), C242(H242),
 C243(H243), C244(H244), C232(H232), C231(H231), C230(H230), C229(H229),
 C234(H234), C233(H233), C226(H226), C227(H227), C228(H228), C223(H223),
 C224(H224), C225(H225)
3.d Fitted hexagon refined as free rotating group:
 C117(C116,C115,C120,C119,C118), C220(C221,C222,C217,C218,C219), C237(C236,
 C235,C240,C239,C238), C245(C246,C241,C242,C243,C244), C232(C231,C230,C229,C234,
 C233), C226(C227,C228,C223,C224,C225)
3.e Idealised Me refined as rotating group:
 C188(H18A,H18B,H18C), C147(H14A,H14B,H14C), C91(H91A,H91B,H91C), C189(H18D,
 H18E,H18F), C146(H14D,H14E,H14F), C51(H51A,H51B,H51C), C92(H92A,H92B,H92C),
 C50(H50A,H50B,H50C), C192(H19A,H19B,H19C), C191(H19D,H19E,H19F), C83(H83A,H83B,
 H83C), C54(H54A,H54B,H54C), C201(H20A,H20B,H20C), C106(H10C,H10D,H10E),
 C42(H42A,H42B,H42C), C53(H53A,H53B,H53C), C68(H68A,H68B,H68C), C107(H10F,H10G,
 H10H), C95(H95A,H95B,H95C), C203(H20D,H20E,H20F), C82(H82A,H82B,H82C),
 C15(H15J,H15K,H15L), C158(H15A,H15B,H15C), C125(H12A,H12B,H12C), C134(H13A,
 H13B,H13C), C29(H29A,H29B,H29C), C94(H94A,H94B,H94C), C26(H26A,H26B,H26C),
 C149(H14G,H14H,H14I), C176(H17A,H17B,H17C), C41(H41A,H41B,H41C), C204(H20G,
 H20H,H20I), C150(H15D,H15E,H15F), C30(H30A,H30B,H30C), C135(H13D,H13E,H13F),
 C27(H27A,H27B,H27C), C177(H17D,H17E,H17F), C67(H67A,H67B,H67C), C38(H38A,H38B,
 H38C), C14(H14J,H14K,H14L), C126(H12D,H12E,H12F), C39(H39A,H39B,H39C),
 C162(H16A,H16B,H16C), C122(H12G,H12H,H12I), C122(H12J,H12K,H12L), C70(H70A,
 H70B,H70C), C79(H79A,H79B,H79C), C137(H13G,H13H,H13I), C179(H17G,H17H,H17I),
 C200(H20J,H20K,H20L), C212(H21A,H21B,H21C), C213(H21D,H21E,H21F), C180(H18G,
 H18H,H18I), C80(H80A,H80B,H80C), C18(H18J,H18K,H18L), C71(H71A,H71B,H71C),
 C17(H17J,H17K,H17L), C161(H16D,H16E,H16F), C138(H13J,H13K,H13L), C216(H21G,
 H21H,H21I), C215(H21J,H21K,H21L), C159(H15G,H15H,H15I), C1B(H1BA,H1BB,H1BC),
 C104(H10I,H10J,H10K), C103(H10L,H10M,H10N), C1C(H1CA,H1CB,H1CC)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge4 Ge 0.18605(4) 0.59321(4) 0.05284(2) 0.05330(15) Uani 1 1 d . . . . .
Ge2 Ge 0.39299(4) 0.31892(4) 0.44805(2) 0.05802(16) Uani 1 1 d . . . . .
Ge1 Ge 1.06575(4) 0.82092(4) 0.44779(2) 0.05924(17) Uani 1 1 d . . . . .
Ge3 Ge 0.69181(4) -0.07963(4) 0.05358(2) 0.06247(18) Uani 1 1 d . . . . .
Cl2 Cl 0.39794(10) 0.45066(9) 0.43754(3) 0.0652(4) Uani 1 1 d . . . . .
Cl4 Cl 0.05584(8) 0.58210(10) 0.06288(3) 0.0646(4) Uani 1 1 d . . . . .
Cl1 Cl 1.05392(10) 0.95185(9) 0.43646(3) 0.0663(4) Uani 1 1 d . . . . .
Cl3 Cl 0.55959(9) -0.06513(12) 0.06106(4) 0.0766(4) Uani 1 1 d . . . . .
O4 O 0.23313(19) 0.54055(18) 0.08323(7) 0.0403(7) Uani 1 1 d . . . . .
O2 O 0.44890(19) 0.2769(2) 0.41915(7) 0.0439(7) Uani 1 1 d . . . . .
O3 O 0.7345(2) -0.00479(19) 0.08217(7) 0.0430(7) Uani 1 1 d . . . . .
O1 O 0.99764(18) 0.7776(2) 0.41730(7) 0.0444(7) Uani 1 1 d . . . . .
N11 N 0.6355(2) 0.2370(2) 0.44408(8) 0.0365(8) Uani 1 1 d . . . . .
N7 N 0.4475(2) 0.3523(2) 0.37234(8) 0.0355(8) Uani 1 1 d . . . . .
N22 N 0.2665(2) 0.3544(2) 0.05749(8) 0.0361(8) Uani 1 1 d . . . . .
N19 N 0.2012(2) 0.4133(2) 0.10500(8) 0.0349(8) Uani 1 1 d . . . . .
N2 N 0.9704(2) 0.8485(2) 0.36938(8) 0.0338(7) Uani 1 1 d . . . . .
N12 N 0.7058(2) 0.2235(2) 0.40224(8) 0.0380(8) Uani 1 1 d . . . . .
N17 N 0.7834(2) 0.2642(2) 0.09803(9) 0.0407(8) Uani 1 1 d . . . . .
N3 N 0.8246(2) 0.7379(2) 0.44135(8) 0.0349(8) Uani 1 1 d . . . . .
N1 N 0.8587(2) 0.8036(2) 0.39290(8) 0.0339(7) Uani 1 1 d . . . . .
N21 N 0.2793(2) 0.2791(2) 0.09886(8) 0.0384(8) Uani 1 1 d . . . . .
N9 N 0.2902(2) 0.3273(2) 0.36885(9) 0.0393(8) Uani 1 1 d . . . . .
N24 N 0.1856(2) 0.6944(2) 0.13354(9) 0.0399(8) Uani 1 1 d . . . . .
N20 N 0.1583(2) 0.5374(2) 0.12923(8) 0.0360(8) Uani 1 1 d . . . . .
N14 N 0.7031(2) 0.1331(2) 0.10371(8) 0.0369(8) Uani 1 1 d . . . . .
N16 N 0.6831(2) -0.1332(2) 0.13313(9) 0.0420(9) Uani 1 1 d . . . . .
N6 N 1.0633(2) 0.9132(2) 0.33544(9) 0.0403(8) Uani 1 1 d . . . . .
N15 N 0.5913(2) -0.0695(2) 0.16192(9) 0.0412(8) Uani 1 1 d . . . . .
N13 N 0.6552(2) 0.0216(2) 0.12702(8) 0.0374(8) Uani 1 1 d . . . . .
N4 N 0.7281(2) 0.7257(2) 0.39951(8) 0.0376(8) Uani 1 1 d . . . . .
N18 N 0.7697(2) 0.1699(2) 0.05653(8) 0.0372(8) Uani 1 1 d . . . . .
N10 N 0.3342(2) 0.4219(2) 0.33896(9) 0.0406(8) Uani 1 1 d . . . . .
N5 N 1.1259(2) 0.8228(2) 0.36717(8) 0.0374(8) Uani 1 1 d . . . . .
N23 N 0.1037(2) 0.6464(2) 0.16627(9) 0.0428(9) Uani 1 1 d . . . . .
N8 N 0.5733(2) 0.3050(2) 0.39613(8) 0.0364(8) Uani 1 1 d . . . . .
C84 C 0.5909(3) 0.2619(3) 0.46824(10) 0.0363(9) Uani 1 1 d . . . . .
C145 C 0.8848(3) 0.0510(3) 0.03567(10) 0.0405(10) Uani 1 1 d . . . . .
H145 H 0.889890 0.086348 0.055474 0.049 Uiso 1 1 calc R U . . .
C60 C 0.7473(3) 0.1811(3) 0.42596(10) 0.0401(10) Uani 1 1 d . . . . .
H60 H 0.796630 0.151730 0.424749 0.048 Uiso 1 1 calc R U . . .
C73 C 0.2982(3) 0.1875(3) 0.38336(10) 0.0393(10) Uani 1 1 d . . . . .
C169 C 0.2661(3) 0.2402(3) 0.12574(10) 0.0404(10) Uani 1 1 d . . . . .
C96 C 0.7464(3) 0.2377(3) 0.37639(11) 0.0417(10) Uani 1 1 d . . . . .
C151 C 0.7707(3) 0.3175(3) 0.12439(11) 0.0446(11) Uani 1 1 d . . . . .
C181 C 0.2398(3) 0.4018(3) 0.03282(10) 0.0361(9) Uani 1 1 d . . . . .
C43 C 0.8863(3) 0.7632(3) 0.46634(10) 0.0364(9) Uani 1 1 d . . . . .
C44 C 0.9415(3) 0.7050(3) 0.47760(10) 0.0387(10) Uani 1 1 d . . . . .
C55 C 0.5142(3) 0.3897(3) 0.35869(11) 0.0415(10) Uani 1 1 d . . . . .
H55A H 0.523432 0.447217 0.367115 0.050 Uiso 1 1 calc R U . . .
H55B H 0.501177 0.387939 0.336129 0.050 Uiso 1 1 calc R U . . .
C166 C 0.3125(3) 0.2827(3) 0.05142(11) 0.0408(10) Uani 1 1 d . . . . .
H166 H 0.334759 0.267930 0.032858 0.049 Uiso 1 1 calc R U . . .
C59 C 0.7065(3) 0.1887(3) 0.45016(11) 0.0424(10) Uani 1 1 d . . . . .
H59 H 0.722278 0.165295 0.468877 0.051 Uiso 1 1 calc R U . . .
C187 C 0.3839(3) 0.4605(3) 0.03618(11) 0.0407(10) Uani 1 1 d . . . . .
H187 H 0.388843 0.433837 0.055792 0.049 Uiso 1 1 calc R U . . .
C48 C 0.8873(3) 0.8434(3) 0.47946(10) 0.0396(10) Uani 1 1 d . . . . .
C61 C 0.3749(3) 0.4656(3) 0.31839(10) 0.0404(10) Uani 1 1 d . . . . .
C19 C 1.1541(3) 0.7625(3) 0.38725(10) 0.0369(9) Uani 1 1 d . . . . .
C72 C 0.2713(3) 0.2681(3) 0.38863(11) 0.0407(10) Uani 1 1 d . . . . .
C32 C 0.6677(3) 0.6941(3) 0.34639(11) 0.0438(11) Uani 1 1 d . . . . .
C193 C 0.2407(3) 0.7147(3) 0.11263(10) 0.0396(10) Uani 1 1 d . . . . .
C164 C 0.1173(3) 0.4695(3) 0.14109(11) 0.0410(10) Uani 1 1 d . . . . .
H16G H 0.060172 0.462773 0.131155 0.049 Uiso 1 1 calc R U . . .
H16H H 0.116963 0.479190 0.163534 0.049 Uiso 1 1 calc R U . . .
C174 C 0.3205(3) 0.2549(3) 0.15258(11) 0.0436(10) Uani 1 1 d . . . . .
C170 C 0.1967(3) 0.1913(3) 0.12447(11) 0.0439(11) Uani 1 1 d . . . . .
C90 C 0.5295(3) 0.1191(3) 0.46472(10) 0.0391(10) Uani 1 1 d . . . . .
H90 H 0.552745 0.116365 0.444779 0.047 Uiso 1 1 calc R U . . .
C163 C 0.1669(3) 0.3950(3) 0.13323(10) 0.0409(10) Uani 1 1 d . . . . .
H16I H 0.211023 0.386969 0.150007 0.049 Uiso 1 1 calc R U . . .
H16J H 0.131835 0.345475 0.129380 0.049 Uiso 1 1 calc R U . . .
C62 C 0.3948(3) 0.5472(3) 0.32606(11) 0.0428(10) Uani 1 1 d . . . . .
C156 C 0.7014(3) 0.3665(3) 0.12282(12) 0.0476(11) Uani 1 1 d . . . . .
C2 C 0.8262(3) 0.8314(3) 0.36291(11) 0.0444(11) Uani 1 1 d . . . . .
H2A H 0.776752 0.864796 0.364662 0.053 Uiso 1 1 calc R U . . .
H2B H 0.812236 0.784307 0.347572 0.053 Uiso 1 1 calc R U . . .
C89 C 0.5407(3) 0.2051(3) 0.47954(10) 0.0381(10) Uani 1 1 d . . . . .
C5 C 0.7571(3) 0.6923(3) 0.44756(10) 0.0408(10) Uani 1 1 d . . . . .
H5 H 0.752829 0.669392 0.466308 0.049 Uiso 1 1 calc R U . . .
C182 C 0.2963(3) 0.4510(3) 0.02154(10) 0.0373(9) Uani 1 1 d . . . . .
C7 C 1.0114(3) 0.9599(3) 0.31545(10) 0.0394(10) Uani 1 1 d . . . . .
C188 C 0.4414(3) 0.4172(3) 0.01567(12) 0.0487(11) Uani 1 1 d . . . . .
H18A H 0.428160 0.358755 0.012769 0.073 Uiso 1 1 calc R U . . .
H18B H 0.497977 0.425106 0.025317 0.073 Uiso 1 1 calc R U . . .
H18C H 0.435093 0.439825 -0.004271 0.073 Uiso 1 1 calc R U . . .
C140 C 0.7966(3) 0.0540(3) 0.02108(10) 0.0404(10) Uani 1 1 d . . . . .
C186 C 0.1578(3) 0.3963(3) 0.01953(10) 0.0404(10) Uani 1 1 d . . . . .
C1 C 0.8946(3) 0.8819(3) 0.35392(12) 0.0466(11) Uani 1 1 d . . . . .
H1B H 0.894684 0.876469 0.331404 0.056 Uiso 1 1 calc R U . . .
H1C H 0.888789 0.940201 0.360930 0.056 Uiso 1 1 calc R U . . .
C31 C 0.6721(2) 0.7432(3) 0.37370(10) 0.0392(10) Uani 1 1 d . . . . .
C3 C 1.1806(3) 0.8510(3) 0.34846(11) 0.0448(11) Uani 1 1 d . . . . .
H3 H 1.236108 0.834849 0.349012 0.054 Uiso 1 1 calc R U . . .
C85 C 0.5978(3) 0.3428(3) 0.48135(11) 0.0431(10) Uani 1 1 d . . . . .
C194 C 0.3220(3) 0.6892(3) 0.11780(11) 0.0441(11) Uani 1 1 d . . . . .
C45 C 0.9963(3) 0.7294(3) 0.50345(11) 0.0459(11) Uani 1 1 d . . . . .
H45 H 1.033315 0.690751 0.511968 0.055 Uiso 1 1 calc R U . . .
C6 C 0.7007(3) 0.6861(3) 0.42341(11) 0.0436(11) Uani 1 1 d . . . . .
H6 H 0.649445 0.659126 0.422342 0.052 Uiso 1 1 calc R U . . .
C56 C 0.5885(3) 0.3387(3) 0.36736(11) 0.0432(11) Uani 1 1 d . . . . .
H56A H 0.594351 0.294253 0.351115 0.052 Uiso 1 1 calc R U . . .
H56B H 0.638829 0.372721 0.370621 0.052 Uiso 1 1 calc R U . . .
C110 C 0.6664(3) 0.1662(3) 0.13099(11) 0.0430(10) Uani 1 1 d . . . . .
H11A H 0.632972 0.214753 0.126649 0.052 Uiso 1 1 calc R U . . .
H11B H 0.708955 0.181022 0.148459 0.052 Uiso 1 1 calc R U . . .
C57 C 0.2235(3) 0.3577(3) 0.35007(12) 0.0471(11) Uani 1 1 d . . . . .
H57 H 0.168179 0.341438 0.349818 0.057 Uiso 1 1 calc R U . . .
C86 C 0.5550(3) 0.3655(3) 0.50588(11) 0.0494(12) Uani 1 1 d . . . . .
H86 H 0.558484 0.420336 0.514737 0.059 Uiso 1 1 calc R U . . .
C74 C 0.2715(3) 0.1288(3) 0.40072(12) 0.0495(12) Uani 1 1 d . . . . .
H74 H 0.288826 0.074051 0.397224 0.059 Uiso 1 1 calc R U . . .
C101 C 0.7353(3) 0.1829(3) 0.35024(12) 0.0486(11) Uani 1 1 d . . . . .
C205 C 0.0581(3) 0.6039(3) 0.18580(11) 0.0468(11) Uani 1 1 d . . . . .
C112 C 0.6023(3) -0.1507(3) 0.16926(13) 0.0520(12) Uani 1 1 d . . . . .
H112 H 0.575113 -0.175497 0.183857 0.062 Uiso 1 1 calc R U . . .
C109 C 0.6136(3) 0.0961(3) 0.13753(11) 0.0401(10) Uani 1 1 d . . . . .
H10A H 0.609090 0.097603 0.159727 0.048 Uiso 1 1 calc R U . . .
H10B H 0.558084 0.098849 0.126240 0.048 Uiso 1 1 calc R U . . .
C165 C 0.3196(3) 0.2394(3) 0.07570(11) 0.0432(10) Uani 1 1 d . . . . .
H165 H 0.347677 0.189225 0.077089 0.052 Uiso 1 1 calc R U . . .
C36 C 0.6230(3) 0.8133(3) 0.37670(11) 0.0424(10) Uani 1 1 d . . . . .
C49 C 0.9436(3) 0.6192(3) 0.46269(11) 0.0407(10) Uani 1 1 d . . . . .
H49 H 0.906637 0.616432 0.442876 0.049 Uiso 1 1 calc R U . . .
C185 C 0.1339(3) 0.4407(3) -0.00526(11) 0.0484(12) Uani 1 1 d . . . . .
H185 H 0.078346 0.438874 -0.014135 0.058 Uiso 1 1 calc R U . . .
C4 C 1.1448(3) 0.9032(3) 0.32981(12) 0.0470(11) Uani 1 1 d . . . . .
H4 H 1.170293 0.929493 0.315106 0.056 Uiso 1 1 calc R U . . .
C12 C 0.9777(3) 0.9220(3) 0.28706(11) 0.0456(11) Uani 1 1 d . . . . .
C147 C 0.9417(3) 0.0860(3) 0.01510(12) 0.0471(11) Uani 1 1 d . . . . .
H14A H 0.934712 0.054927 -0.005077 0.071 Uiso 1 1 calc R U . . .
H14B H 0.998532 0.082082 0.024429 0.071 Uiso 1 1 calc R U . . .
H14C H 0.928369 0.143297 0.012778 0.071 Uiso 1 1 calc R U . . .
C190 C 0.0989(3) 0.3381(3) 0.03074(11) 0.0447(11) Uani 1 1 d . . . . .
H190 H 0.115435 0.334984 0.053172 0.054 Uiso 1 1 calc R U . . .
C63 C 0.4338(3) 0.5874(3) 0.30514(12) 0.0477(11) Uani 1 1 d . . . . .
H63 H 0.448830 0.643250 0.309789 0.057 Uiso 1 1 calc R U . . .
C88 C 0.5016(3) 0.2310(3) 0.50470(11) 0.0466(11) Uani 1 1 d . . . . .
H88 H 0.469729 0.192901 0.513196 0.056 Uiso 1 1 calc R U . . .
C75 C 0.2207(3) 0.1475(4) 0.42282(13) 0.0571(13) Uani 1 1 d . . . . .
H75 H 0.202644 0.105879 0.434069 0.069 Uiso 1 1 calc R U . . .
C183 C 0.2697(3) 0.4926(3) -0.00403(10) 0.0448(11) Uani 1 1 d . . . . .
H183 H 0.307740 0.524745 -0.012393 0.054 Uiso 1 1 calc R U . . .
C114 C 0.8234(3) 0.2924(3) 0.07452(11) 0.0466(11) Uani 1 1 d . . . . .
H114 H 0.851841 0.342994 0.075744 0.056 Uiso 1 1 calc R U . . .
C113 C 0.8151(3) 0.2375(3) 0.05039(11) 0.0447(11) Uani 1 1 d . . . . .
H113 H 0.836679 0.243116 0.031688 0.054 Uiso 1 1 calc R U . . .
C175 C 0.1398(3) 0.1731(3) 0.09480(12) 0.0505(12) Uani 1 1 d . . . . .
H175 H 0.154321 0.212027 0.080146 0.061 Uiso 1 1 calc R U . . .
C9 C 0.9473(3) 1.0849(3) 0.30370(13) 0.0542(13) Uani 1 1 d . . . . .
H9 H 0.936961 1.140878 0.309018 0.065 Uiso 1 1 calc R U . . .
C91 C 0.5766(3) 0.0597(3) 0.48480(12) 0.0456(11) Uani 1 1 d . . . . .
H91A H 0.635059 0.073041 0.487101 0.068 Uiso 1 1 calc R U . . .
H91B H 0.567596 0.003871 0.475171 0.068 Uiso 1 1 calc R U . . .
H91C H 0.557349 0.063919 0.505018 0.068 Uiso 1 1 calc R U . . .
C127 C 0.7398(3) -0.1652(3) 0.11328(12) 0.0444(11) Uani 1 1 d . . . . .
C47 C 0.9454(3) 0.8647(3) 0.50476(11) 0.0490(11) Uani 1 1 d . . . . .
H47 H 0.948600 0.919481 0.513737 0.059 Uiso 1 1 calc R U . . .
C139 C 0.7417(3) 0.1096(3) 0.03209(10) 0.0384(10) Uani 1 1 d . . . . .
C81 C 0.3515(3) 0.1633(3) 0.35853(11) 0.0462(11) Uani 1 1 d . . . . .
H81 H 0.383114 0.212979 0.355333 0.055 Uiso 1 1 calc R U . . .
C93 C 0.6556(3) 0.4031(3) 0.47036(12) 0.0495(12) Uani 1 1 d . . . . .
H93 H 0.661980 0.384794 0.448565 0.059 Uiso 1 1 calc R U . . .
C37 C 0.7172(3) 0.6168(3) 0.34352(12) 0.0511(12) Uani 1 1 d . . . . .
H37 H 0.760915 0.617963 0.361401 0.061 Uiso 1 1 calc R U . . .
C189 C 0.4096(3) 0.5496(3) 0.04387(12) 0.0481(11) Uani 1 1 d . . . . .
H18D H 0.406453 0.577019 0.024945 0.072 Uiso 1 1 calc R U . . .
H18E H 0.465875 0.552632 0.054133 0.072 Uiso 1 1 calc R U . . .
H18F H 0.373075 0.576544 0.057474 0.072 Uiso 1 1 calc R U . . .
C184 C 0.1898(3) 0.4880(3) -0.01737(11) 0.0506(12) Uani 1 1 d . . . . .
H184 H 0.172905 0.516785 -0.034731 0.061 Uiso 1 1 calc R U . . .
C146 C 0.9109(3) -0.0349(3) 0.04277(12) 0.0466(11) Uani 1 1 d . . . . .
H14D H 0.873250 -0.056918 0.055584 0.070 Uiso 1 1 calc R U . . .
H14E H 0.966440 -0.032969 0.053720 0.070 Uiso 1 1 calc R U . . .
H14F H 0.909862 -0.070050 0.023583 0.070 Uiso 1 1 calc R U . . .
C141 C 0.7690(3) -0.0012(3) -0.00383(11) 0.0501(12) Uani 1 1 d . . . . .
H141 H 0.805931 -0.039106 -0.011999 0.060 Uiso 1 1 calc R U . . .
C33 C 0.6136(3) 0.7157(3) 0.32149(12) 0.0530(13) Uani 1 1 d . . . . .
H33 H 0.609826 0.682997 0.302497 0.064 Uiso 1 1 calc R U . . .
C11 C 0.9264(3) 0.9675(3) 0.26770(12) 0.0516(12) Uani 1 1 d . . . . .
H11 H 0.901589 0.942390 0.248574 0.062 Uiso 1 1 calc R U . . .
C10 C 0.9113(3) 1.0476(3) 0.27585(12) 0.0546(13) Uani 1 1 d . . . . .
H10 H 0.876112 1.077863 0.262426 0.065 Uiso 1 1 calc R U . . .
C52 C 0.8234(3) 0.9043(3) 0.46869(11) 0.0457(11) Uani 1 1 d . . . . .
H52 H 0.805654 0.888849 0.446420 0.055 Uiso 1 1 calc R U . . .
C195 C 0.3762(3) 0.7170(3) 0.09913(12) 0.0517(12) Uani 1 1 d . . . . .
H195 H 0.431682 0.700807 0.102111 0.062 Uiso 1 1 calc R U . . .
C173 C 0.3019(3) 0.2215(3) 0.17881(12) 0.0513(12) Uani 1 1 d . . . . .
H173 H 0.337453 0.231374 0.197417 0.062 Uiso 1 1 calc R U . . .
C143 C 0.6345(3) 0.0521(3) -0.00527(11) 0.0532(13) Uani 1 1 d . . . . .
H143 H 0.578915 0.050099 -0.014121 0.064 Uiso 1 1 calc R U . . .
C65 C 0.4291(4) 0.4670(4) 0.27101(12) 0.0585(14) Uani 1 1 d . . . . .
H65 H 0.440625 0.439804 0.252134 0.070 Uiso 1 1 calc R U . . .
C144 C 0.6592(3) 0.1101(3) 0.01922(11) 0.0457(11) Uani 1 1 d . . . . .
C108 C 0.3903(3) 0.4244(3) 0.29135(12) 0.0518(12) Uani 1 1 d . . . . .
C97 C 0.7976(3) 0.3069(3) 0.37836(12) 0.0461(11) Uani 1 1 d . . . . .
C20 C 1.2163(3) 0.7830(3) 0.41122(11) 0.0466(11) Uani 1 1 d . . . . .
C46 C 0.9979(3) 0.8079(3) 0.51685(11) 0.0516(12) Uani 1 1 d . . . . .
H46 H 1.035467 0.823048 0.534557 0.062 Uiso 1 1 calc R U . . .
C21 C 1.2504(3) 0.7206(4) 0.42795(12) 0.0548(13) Uani 1 1 d . . . . .
H21 H 1.292630 0.733253 0.444387 0.066 Uiso 1 1 calc R U . . .
C8 C 0.9983(3) 1.0421(3) 0.32392(12) 0.0470(11) Uani 1 1 d . . . . .
C40 C 0.6252(3) 0.8650(3) 0.40695(12) 0.0477(11) Uani 1 1 d . . . . .
H40 H 0.670044 0.844077 0.421508 0.057 Uiso 1 1 calc R U . . .
C198 C 0.2144(3) 0.7638(3) 0.08936(11) 0.0464(11) Uani 1 1 d . . . . .
C167 C 0.1143(3) 0.7310(3) 0.17259(13) 0.0529(13) Uani 1 1 d . . . . .
H167 H 0.090666 0.763459 0.188036 0.063 Uiso 1 1 calc R U . . .
C51 C 0.9113(3) 0.5587(3) 0.48261(11) 0.0461(11) Uani 1 1 d . . . . .
H51A H 0.943734 0.563385 0.502862 0.069 Uiso 1 1 calc R U . . .
H51B H 0.915395 0.503105 0.472929 0.069 Uiso 1 1 calc R U . . .
H51C H 0.853994 0.570644 0.484859 0.069 Uiso 1 1 calc R U . . .
C64 C 0.4505(3) 0.5473(3) 0.27801(12) 0.0541(13) Uani 1 1 d . . . . .
H64 H 0.477049 0.575384 0.264071 0.065 Uiso 1 1 calc R U . . .
C171 C 0.1818(3) 0.1582(3) 0.15142(12) 0.0516(12) Uani 1 1 d . . . . .
H171 H 0.135276 0.123928 0.151050 0.062 Uiso 1 1 calc R U . . .
C152 C 0.8265(3) 0.3185(3) 0.15086(12) 0.0524(12) Uani 1 1 d . . . . .
C148 C 0.6006(3) 0.1735(3) 0.03007(11) 0.0494(12) Uani 1 1 d . . . . .
H148 H 0.620479 0.191918 0.051933 0.059 Uiso 1 1 calc R U . . .
C199 C 0.3502(3) 0.6357(3) 0.14295(12) 0.0520(12) Uani 1 1 d . . . . .
H199 H 0.303399 0.598923 0.145101 0.062 Uiso 1 1 calc R U . . .
C210 C -0.0245(3) 0.5895(3) 0.17709(12) 0.0523(12) Uani 1 1 d . . . . .
C24 C 1.1254(3) 0.6823(3) 0.38062(11) 0.0431(10) Uani 1 1 d . . . . .
C168 C 0.1626(3) 0.7590(3) 0.15374(11) 0.0478(11) Uani 1 1 d . . . . .
H168 H 0.178980 0.814343 0.153887 0.057 Uiso 1 1 calc R U . . .
C206 C 0.0989(4) 0.5799(3) 0.21347(12) 0.0537(12) Uani 1 1 d . . . . .
C92 C 0.4398(3) 0.0933(3) 0.45803(12) 0.0481(11) Uani 1 1 d . . . . .
H92A H 0.416436 0.092312 0.477373 0.072 Uiso 1 1 calc R U . . .
H92B H 0.435418 0.038813 0.446998 0.072 Uiso 1 1 calc R U . . .
H92C H 0.409805 0.132306 0.445434 0.072 Uiso 1 1 calc R U . . .
C128 C 0.8208(3) -0.1361(3) 0.11770(11) 0.0444(11) Uani 1 1 d . . . . .
C58 C 0.2492(3) 0.4125(3) 0.33271(12) 0.0495(12) Uani 1 1 d . . . . .
H58 H 0.214999 0.440765 0.318320 0.059 Uiso 1 1 calc R U . . .
C124 C 0.4182(3) -0.0483(3) 0.14216(12) 0.0503(12) Uani 1 1 d . . . . .
H124 H 0.455656 -0.090157 0.133838 0.060 Uiso 1 1 calc R U . . .
C76 C 0.1964(4) 0.2268(4) 0.42852(13) 0.0599(14) Uani 1 1 d . . . . .
H76 H 0.162345 0.239857 0.444102 0.072 Uiso 1 1 calc R U . . .
C23 C 1.1624(3) 0.6228(3) 0.39800(13) 0.0535(12) Uani 1 1 d . . . . .
H23 H 1.144433 0.567637 0.393741 0.064 Uiso 1 1 calc R U . . .
C50 C 1.0285(3) 0.5947(3) 0.45550(12) 0.0494(12) Uani 1 1 d . . . . .
H50A H 1.048517 0.633486 0.442480 0.074 Uiso 1 1 calc R U . . .
H50B H 1.026187 0.539804 0.444747 0.074 Uiso 1 1 calc R U . . .
H50C H 1.065685 0.594890 0.474640 0.074 Uiso 1 1 calc R U . . .
B11 B 0.2450(3) 0.3542(3) 0.08816(11) 0.0343(10) Uani 1 1 d . . . . .
C35 C 0.5700(3) 0.8312(3) 0.35124(12) 0.0515(12) Uani 1 1 d . . . . .
H35 H 0.536004 0.877672 0.352767 0.062 Uiso 1 1 calc R U . . .
C196 C 0.3520(4) 0.7672(3) 0.07657(13) 0.0603(14) Uani 1 1 d . . . . .
H196 H 0.390891 0.786359 0.064630 0.072 Uiso 1 1 calc R U . . .
C142 C 0.6883(3) -0.0013(4) -0.01672(12) 0.0585(14) Uani 1 1 d . . . . .
H142 H 0.670289 -0.039174 -0.033753 0.070 Uiso 1 1 calc R U . . .
C117 C 0.5400(2) 0.0744(2) 0.22568(6) 0.0631(16) Uani 1 1 d G . . . .
H117 H 0.566205 0.101105 0.244273 0.076 Uiso 1 1 calc R U . . .
C116 C 0.58382(15) 0.0216(2) 0.20756(7) 0.0557(13) Uani 1 1 d DG . . . .
C115 C 0.54540(16) -0.01753(18) 0.18036(6) 0.0431(10) Uani 1 1 d G . . . .
C120 C 0.46312(17) -0.00394(18) 0.17127(6) 0.0446(11) Uani 1 1 d G . . . .
C119 C 0.41926(15) 0.0488(2) 0.18939(7) 0.0557(13) Uani 1 1 d G . . . .
H119 H 0.363025 0.058092 0.183176 0.067 Uiso 1 1 calc R U . . .
C118 C 0.4577(2) 0.08795(19) 0.21659(7) 0.0597(14) Uani 1 1 d G . . . .
H118 H 0.427692 0.123989 0.228974 0.072 Uiso 1 1 calc R U . . .
C172 C 0.2323(3) 0.1740(3) 0.17817(13) 0.0572(14) Uani 1 1 d . . . . .
H172 H 0.219822 0.152524 0.196336 0.069 Uiso 1 1 calc R U . . .
C160 C 0.6433(3) 0.3677(3) 0.09377(13) 0.0518(12) Uani 1 1 d . . . . .
H160 H 0.652024 0.315957 0.080928 0.062 Uiso 1 1 calc R U . . .
C192 C 0.0090(3) 0.3652(4) 0.02643(14) 0.0605(14) Uani 1 1 d . . . . .
H19A H -0.009451 0.367070 0.004535 0.091 Uiso 1 1 calc R U . . .
H19B H 0.004275 0.419493 0.037120 0.091 Uiso 1 1 calc R U . . .
H19C H -0.024993 0.326240 0.034904 0.091 Uiso 1 1 calc R U . . .
B8 B 0.6429(3) -0.0550(3) 0.13878(12) 0.0383(11) Uani 1 1 d . . . . .
C178 C 0.3976(3) 0.3053(3) 0.15355(12) 0.0484(11) Uani 1 1 d . . . . .
H178 H 0.398058 0.325529 0.132882 0.058 Uiso 1 1 calc R U . . .
C77 C 0.2211(3) 0.2887(3) 0.41158(12) 0.0517(12) Uani 1 1 d . . . . .
C87 C 0.5075(3) 0.3100(3) 0.51770(12) 0.0539(13) Uani 1 1 d . . . . .
H87 H 0.479149 0.326410 0.534679 0.065 Uiso 1 1 calc R U . . .
C197 C 0.2720(4) 0.7895(3) 0.07125(12) 0.0555(13) Uani 1 1 d . . . . .
H197 H 0.255235 0.822744 0.055136 0.067 Uiso 1 1 calc R U . . .
C22 C 1.2245(3) 0.6426(4) 0.42120(13) 0.0590(14) Uani 1 1 d . . . . .
H22 H 1.249465 0.600937 0.432609 0.071 Uiso 1 1 calc R U . . .
C16 C 0.9950(4) 0.8332(3) 0.27694(12) 0.0560(13) Uani 1 1 d . . . . .
H16 H 1.026519 0.809541 0.294854 0.067 Uiso 1 1 calc R U . . .
C105 C 0.6810(3) 0.1081(3) 0.34779(12) 0.0488(11) Uani 1 1 d . . . . .
H105 H 0.660412 0.104795 0.368034 0.059 Uiso 1 1 calc R U . . .
B5 B 0.3635(3) 0.3669(3) 0.36176(12) 0.0374(11) Uani 1 1 d . . . . .
C34 C 0.5657(3) 0.7840(3) 0.32423(13) 0.0575(14) Uani 1 1 d . . . . .
H34 H 0.529389 0.798101 0.307112 0.069 Uiso 1 1 calc R U . . .
C111 C 0.6559(3) -0.1870(3) 0.15293(13) 0.0544(13) Uani 1 1 d . . . . .
H111 H 0.673585 -0.241677 0.154304 0.065 Uiso 1 1 calc R U . . .
B10 B 0.1991(3) 0.5002(3) 0.10459(11) 0.0364(10) Uani 1 1 d . . . . .
C66 C 0.3741(3) 0.5934(3) 0.35528(12) 0.0503(12) Uani 1 1 d . . . . .
H66 H 0.337754 0.557812 0.365121 0.060 Uiso 1 1 calc R U . . .
B6 B 0.6340(3) 0.2588(3) 0.41289(11) 0.0366(10) Uani 1 1 d . . . . .
C133 C 0.8480(3) -0.0685(3) 0.14226(12) 0.0527(12) Uani 1 1 d . . . . .
H133 H 0.800023 -0.032303 0.144704 0.063 Uiso 1 1 calc R U . . .
B3 B 1.0478(3) 0.8609(3) 0.35899(11) 0.0349(10) Uani 1 1 d . . . . .
C191 C 0.1073(4) 0.2535(3) 0.01477(15) 0.0646(15) Uani 1 1 d . . . . .
H19D H 0.073188 0.214770 0.023327 0.097 Uiso 1 1 calc R U . . .
H19E H 0.164517 0.236711 0.017892 0.097 Uiso 1 1 calc R U . . .
H19F H 0.089487 0.254296 -0.007223 0.097 Uiso 1 1 calc R U . . .
C155 C 0.6890(4) 0.4159(3) 0.14900(14) 0.0598(14) Uani 1 1 d . . . . .
H155 H 0.642442 0.450083 0.148556 0.072 Uiso 1 1 calc R U . . .
C83 C 0.2995(4) 0.1366(4) 0.32823(13) 0.0630(14) Uani 1 1 d . . . . .
H83A H 0.269587 0.086399 0.330272 0.095 Uiso 1 1 calc R U . . .
H83B H 0.335026 0.126672 0.312059 0.095 Uiso 1 1 calc R U . . .
H83C H 0.260598 0.179644 0.322882 0.095 Uiso 1 1 calc R U . . .
C54 C 0.8533(4) 0.9920(3) 0.47188(14) 0.0612(14) Uani 1 1 d . . . . .
H54A H 0.869723 1.009566 0.493579 0.092 Uiso 1 1 calc R U . . .
H54B H 0.809237 1.026971 0.463676 0.092 Uiso 1 1 calc R U . . .
H54C H 0.900188 0.996313 0.460454 0.092 Uiso 1 1 calc R U . . .
C132 C 0.7145(3) -0.2292(3) 0.09076(14) 0.0602(14) Uani 1 1 d . . . . .
B4 B 0.4869(3) 0.3108(3) 0.39755(11) 0.0367(10) Uani 1 1 d . . . . .
C201 C 0.3704(4) 0.6879(4) 0.17360(13) 0.0677(16) Uani 1 1 d . . . . .
H20A H 0.417990 0.722717 0.172640 0.101 Uiso 1 1 calc R U . . .
H20B H 0.382553 0.652159 0.190143 0.101 Uiso 1 1 calc R U . . .
H20C H 0.323444 0.722089 0.177567 0.101 Uiso 1 1 calc R U . . .
C106 C 0.7292(4) 0.0307(3) 0.34088(14) 0.0582(13) Uani 1 1 d . . . . .
H10C H 0.692905 -0.016967 0.339409 0.087 Uiso 1 1 calc R U . . .
H10D H 0.774060 0.026111 0.357377 0.087 Uiso 1 1 calc R U . . .
H10E H 0.751504 0.033390 0.321411 0.087 Uiso 1 1 calc R U . . .
C153 C 0.8108(4) 0.3687(4) 0.17632(14) 0.0650(15) Uani 1 1 d . . . . .
H153 H 0.847725 0.370419 0.194683 0.078 Uiso 1 1 calc R U . . .
B2 B 0.8083(3) 0.7590(3) 0.41018(12) 0.0347(10) Uani 1 1 d . . . . .
C42 C 0.6430(4) 0.9545(3) 0.40450(14) 0.0661(15) Uani 1 1 d . . . . .
H42A H 0.693850 0.959650 0.395372 0.099 Uiso 1 1 calc R U . . .
H42B H 0.648879 0.983860 0.424981 0.099 Uiso 1 1 calc R U . . .
H42C H 0.597910 0.977754 0.391550 0.099 Uiso 1 1 calc R U . . .
C28 C 1.0574(3) 0.6596(3) 0.35500(12) 0.0503(12) Uani 1 1 d . . . . .
H28 H 1.026469 0.710593 0.350901 0.060 Uiso 1 1 calc R U . . .
C53 C 0.7493(4) 0.8961(4) 0.48549(15) 0.0655(16) Uani 1 1 d . . . . .
H53A H 0.728325 0.839946 0.481826 0.098 Uiso 1 1 calc R U . . .
H53B H 0.706809 0.933594 0.477978 0.098 Uiso 1 1 calc R U . . .
H53C H 0.765009 0.909503 0.507517 0.098 Uiso 1 1 calc R U . . .
C98 C 0.8364(4) 0.3192(3) 0.35297(14) 0.0605(14) Uani 1 1 d . . . . .
H98 H 0.870461 0.365937 0.353570 0.073 Uiso 1 1 calc R U . . .
C214 C -0.0701(3) 0.6188(4) 0.14795(15) 0.0641(15) Uani 1 1 d . . . . .
H214 H -0.032271 0.653636 0.138493 0.077 Uiso 1 1 calc R U . . .
C207 C 0.0533(4) 0.5379(4) 0.23194(13) 0.0635(15) Uani 1 1 d . . . . .
H207 H 0.079171 0.519920 0.250579 0.076 Uiso 1 1 calc R U . . .
B12 B 0.1491(3) 0.6198(3) 0.14160(12) 0.0392(11) Uani 1 1 d . . . . .
C129 C 0.8763(3) -0.1740(3) 0.10003(13) 0.0541(13) Uani 1 1 d . . . . .
H129 H 0.931410 -0.155129 0.102848 0.065 Uiso 1 1 calc R U . . .
B1 B 0.9464(3) 0.8096(3) 0.39467(12) 0.0370(11) Uani 1 1 d . . . . .
C68 C 0.3274(4) 0.6719(4) 0.34822(16) 0.0682(16) Uani 1 1 d . . . . .
H68A H 0.362391 0.708031 0.338867 0.102 Uiso 1 1 calc R U . . .
H68B H 0.312326 0.699568 0.367285 0.102 Uiso 1 1 calc R U . . .
H68C H 0.277914 0.657998 0.334013 0.102 Uiso 1 1 calc R U . . .
B9 B 0.7486(3) 0.1849(3) 0.08703(12) 0.0379(11) Uani 1 1 d . . . . .
C131 C 0.7737(4) -0.2649(4) 0.07366(15) 0.0683(16) Uani 1 1 d . . . . .
H131 H 0.758147 -0.308394 0.058434 0.082 Uiso 1 1 calc R U . . .
B7 B 0.6993(3) 0.0460(3) 0.10271(12) 0.0393(11) Uani 1 1 d . . . . .
C209 C -0.0664(4) 0.5468(4) 0.19636(14) 0.0645(15) Uani 1 1 d . . . . .
H209 H -0.122781 0.534265 0.190693 0.077 Uiso 1 1 calc R U . . .
C130 C 0.8534(4) -0.2385(4) 0.07837(14) 0.0622(14) Uani 1 1 d . . . . .
H130 H 0.892666 -0.264376 0.066833 0.075 Uiso 1 1 calc R U . . .
C202 C 0.1269(3) 0.7967(3) 0.08428(13) 0.0582(13) Uani 1 1 d . . . . .
H202 H 0.091213 0.764959 0.095805 0.070 Uiso 1 1 calc R U . . .
C107 C 0.6072(4) 0.1131(4) 0.32354(15) 0.0687(16) Uani 1 1 d . . . . .
H10F H 0.625944 0.121114 0.303781 0.103 Uiso 1 1 calc R U . . .
H10G H 0.573015 0.158994 0.329563 0.103 Uiso 1 1 calc R U . . .
H10H H 0.575345 0.062252 0.321684 0.103 Uiso 1 1 calc R U . . .
C25 C 1.2538(3) 0.8698(3) 0.41827(14) 0.0590(14) Uani 1 1 d . . . . .
H25 H 1.216487 0.908437 0.407261 0.071 Uiso 1 1 calc R U . . .
C69 C 0.3655(5) 0.3351(4) 0.28308(14) 0.0724(17) Uani 1 1 d . . . . .
H69 H 0.348471 0.313921 0.301911 0.087 Uiso 1 1 calc R U . . .
C157 C 0.9032(3) 0.2662(4) 0.15272(14) 0.0613(14) Uani 1 1 d . . . . .
H157 H 0.910112 0.243792 0.131382 0.074 Uiso 1 1 calc R U . . .
C95 C 0.6255(4) 0.4901(3) 0.47126(16) 0.0682(16) Uani 1 1 d . . . . .
H95A H 0.620831 0.510674 0.492506 0.102 Uiso 1 1 calc R U . . .
H95B H 0.571803 0.491719 0.458994 0.102 Uiso 1 1 calc R U . . .
H95C H 0.664237 0.524337 0.462845 0.102 Uiso 1 1 calc R U . . .
C100 C 0.7765(4) 0.1990(4) 0.32596(14) 0.0676(16) Uani 1 1 d . . . . .
H100 H 0.769852 0.162702 0.307823 0.081 Uiso 1 1 calc R U . . .
C13 C 1.0388(3) 1.0857(3) 0.35345(13) 0.0560(13) Uani 1 1 d . . . . .
H13 H 1.083133 1.049922 0.362222 0.067 Uiso 1 1 calc R U . . .
C154 C 0.7413(4) 0.4165(4) 0.17509(15) 0.0718(17) Uani 1 1 d . . . . .
H154 H 0.730499 0.450033 0.192771 0.086 Uiso 1 1 calc R U . . .
C203 C 0.1255(4) 0.8863(3) 0.09638(16) 0.0686(16) Uani 1 1 d . . . . .
H20D H 0.163006 0.917564 0.086160 0.103 Uiso 1 1 calc R U . . .
H20E H 0.142735 0.891762 0.118534 0.103 Uiso 1 1 calc R U . . .
H20F H 0.070002 0.907295 0.092220 0.103 Uiso 1 1 calc R U . . .
C82 C 0.4133(4) 0.0979(4) 0.36754(15) 0.0674(16) Uani 1 1 d . . . . .
H82A H 0.440777 0.113111 0.388247 0.101 Uiso 1 1 calc R U . . .
H82B H 0.453836 0.093170 0.353028 0.101 Uiso 1 1 calc R U . . .
H82C H 0.384862 0.045487 0.367131 0.101 Uiso 1 1 calc R U . . .
C211 C 0.1898(4) 0.5969(4) 0.22349(14) 0.0655(15) Uani 1 1 d . . . . .
H211 H 0.203584 0.646771 0.213719 0.079 Uiso 1 1 calc R U . . .
C15 C 0.9799(5) 1.1018(5) 0.37689(15) 0.085(2) Uani 1 1 d . . . . .
H15J H 1.005724 1.138375 0.394106 0.127 Uiso 1 1 calc R U . . .
H15K H 0.965184 1.050114 0.384351 0.127 Uiso 1 1 calc R U . . .
H15L H 0.930493 1.127249 0.367413 0.127 Uiso 1 1 calc R U . . .
C208 C -0.0275(4) 0.5226(4) 0.22342(14) 0.0685(16) Uani 1 1 d . . . . .
H208 H -0.057775 0.494792 0.236355 0.082 Uiso 1 1 calc R U . . .
C158 C 0.9779(4) 0.3155(4) 0.16505(16) 0.0708(16) Uani 1 1 d . . . . .
H15A H 0.974788 0.335018 0.186508 0.106 Uiso 1 1 calc R U . . .
H15B H 0.981526 0.362273 0.152998 0.106 Uiso 1 1 calc R U . . .
H15C H 1.026447 0.281566 0.163722 0.106 Uiso 1 1 calc R U . . .
C125 C 0.3416(4) -0.0920(4) 0.14882(15) 0.0721(17) Uani 1 1 d . . . . .
H12A H 0.302651 -0.051600 0.155839 0.108 Uiso 1 1 calc R U . . .
H12B H 0.356414 -0.128893 0.164786 0.108 Uiso 1 1 calc R U . . .
H12C H 0.316526 -0.123388 0.130098 0.108 Uiso 1 1 calc R U . . .
C134 C 0.9167(4) -0.0159(4) 0.13396(16) 0.0754(18) Uani 1 1 d . . . . .
H13A H 0.926157 0.031633 0.149055 0.113 Uiso 1 1 calc R U . . .
H13B H 0.901219 0.002536 0.113546 0.113 Uiso 1 1 calc R U . . .
H13C H 0.966780 -0.047965 0.133933 0.113 Uiso 1 1 calc R U . . .
C29 C 1.0916(4) 0.6299(4) 0.32583(13) 0.0689(16) Uani 1 1 d . . . . .
H29A H 1.122696 0.579878 0.329001 0.103 Uiso 1 1 calc R U . . .
H29B H 1.127780 0.671891 0.320292 0.103 Uiso 1 1 calc R U . . .
H29C H 1.046691 0.618514 0.309273 0.103 Uiso 1 1 calc R U . . .
C94 C 0.7385(4) 0.3983(4) 0.48893(18) 0.082(2) Uani 1 1 d . . . . .
H94A H 0.777388 0.433388 0.480980 0.123 Uiso 1 1 calc R U . . .
H94B H 0.757503 0.341832 0.487444 0.123 Uiso 1 1 calc R U . . .
H94C H 0.734377 0.416656 0.510434 0.123 Uiso 1 1 calc R U . . .
C26 C 1.3371(3) 0.8730(4) 0.40627(17) 0.0717(17) Uani 1 1 d . . . . .
H26A H 1.358643 0.928954 0.409610 0.108 Uiso 1 1 calc R U . . .
H26B H 1.330669 0.855314 0.384291 0.108 Uiso 1 1 calc R U . . .
H26C H 1.375138 0.836688 0.417225 0.108 Uiso 1 1 calc R U . . .
C149 C 0.5138(3) 0.1437(4) 0.02886(16) 0.0730(17) Uani 1 1 d . . . . .
H14G H 0.491357 0.128482 0.007494 0.109 Uiso 1 1 calc R U . . .
H14H H 0.480788 0.187083 0.037677 0.109 Uiso 1 1 calc R U . . .
H14I H 0.512889 0.095982 0.040613 0.109 Uiso 1 1 calc R U . . .
C99 C 0.8272(4) 0.2664(4) 0.32729(16) 0.0755(19) Uani 1 1 d . . . . .
H99 H 0.855390 0.275771 0.310383 0.091 Uiso 1 1 calc R U . . .
C176 C 0.0500(4) 0.1842(5) 0.09799(17) 0.086(2) Uani 1 1 d . . . . .
H17A H 0.032596 0.144033 0.111032 0.130 Uiso 1 1 calc R U . . .
H17B H 0.017955 0.176420 0.077690 0.130 Uiso 1 1 calc R U . . .
H17C H 0.041260 0.239342 0.107295 0.130 Uiso 1 1 calc R U . . .
C41 C 0.5457(4) 0.8561(4) 0.42034(16) 0.0722(17) Uani 1 1 d . . . . .
H41A H 0.500396 0.874934 0.406242 0.108 Uiso 1 1 calc R U . . .
H41B H 0.548511 0.889010 0.440094 0.108 Uiso 1 1 calc R U . . .
H41C H 0.536806 0.798697 0.423342 0.108 Uiso 1 1 calc R U . . .
C220 C 0.3240(2) -0.1750(2) 0.28276(10) 0.0715(17) Uani 1 1 d G . . . .
H220 H 0.282644 -0.206892 0.289329 0.086 Uiso 1 1 calc R U . . .
C221 C 0.3492(3) -0.1939(3) 0.25407(9) 0.092(2) Uani 1 1 d G . . . .
H221 H 0.325063 -0.238695 0.241020 0.110 Uiso 1 1 calc R U . . .
C222 C 0.4098(3) -0.1471(4) 0.24446(9) 0.104(3) Uani 1 1 d G . . . .
H222 H 0.426979 -0.160050 0.224847 0.125 Uiso 1 1 calc R U . . .
C217 C 0.4451(2) -0.0815(3) 0.26355(13) 0.091(3) Uani 1 1 d G . . . .
H217 H 0.486477 -0.049600 0.256982 0.110 Uiso 1 1 calc R U . . .
C218 C 0.4199(2) -0.0626(2) 0.29224(12) 0.080(2) Uani 1 1 d G . . . .
H218 H 0.444059 -0.017796 0.305291 0.096 Uiso 1 1 calc R U . . .
C219 C 0.3594(2) -0.1094(3) 0.30185(8) 0.0625(14) Uani 1 1 d G . . . .
H219 H 0.342143 -0.096441 0.321464 0.075 Uiso 1 1 calc R U . . .
C204 C 0.0911(4) 0.7906(4) 0.05080(15) 0.0757(18) Uani 1 1 d . . . . .
H20G H 0.034206 0.808772 0.049133 0.114 Uiso 1 1 calc R U . . .
H20H H 0.093043 0.733866 0.042050 0.114 Uiso 1 1 calc R U . . .
H20I H 0.122856 0.825272 0.039582 0.114 Uiso 1 1 calc R U . . .
C150 C 0.6039(5) 0.2473(4) 0.01152(19) 0.090(2) Uani 1 1 d . . . . .
H15D H 0.659507 0.269991 0.014528 0.135 Uiso 1 1 calc R U . . .
H15E H 0.565937 0.288924 0.018426 0.135 Uiso 1 1 calc R U . . .
H15F H 0.588192 0.230410 -0.010274 0.135 Uiso 1 1 calc R U . . .
C30 C 0.9968(5) 0.5983(4) 0.36337(16) 0.084(2) Uani 1 1 d . . . . .
H30A H 0.949384 0.593148 0.347539 0.126 Uiso 1 1 calc R U . . .
H30B H 0.978771 0.617046 0.383149 0.126 Uiso 1 1 calc R U . . .
H30C H 1.023072 0.545094 0.364827 0.126 Uiso 1 1 calc R U . . .
C135 C 0.8735(4) -0.1023(5) 0.17294(14) 0.0769(18) Uani 1 1 d . . . . .
H13D H 0.922893 -0.135083 0.171692 0.115 Uiso 1 1 calc R U . . .
H13E H 0.829358 -0.136608 0.177944 0.115 Uiso 1 1 calc R U . . .
H13F H 0.884784 -0.057129 0.188946 0.115 Uiso 1 1 calc R U . . .
C27 C 1.2655(4) 0.8994(5) 0.45192(15) 0.0805(19) Uani 1 1 d . . . . .
H27A H 1.304659 0.864299 0.462963 0.121 Uiso 1 1 calc R U . . .
H27B H 1.212982 0.897435 0.460121 0.121 Uiso 1 1 calc R U . . .
H27C H 1.286359 0.955620 0.454513 0.121 Uiso 1 1 calc R U . . .
C177 C 0.1541(5) 0.0883(4) 0.08080(17) 0.083(2) Uani 1 1 d . . . . .
H17D H 0.210820 0.083919 0.076315 0.125 Uiso 1 1 calc R U . . .
H17E H 0.116969 0.077278 0.061763 0.125 Uiso 1 1 calc R U . . .
H17F H 0.143994 0.048623 0.095198 0.125 Uiso 1 1 calc R U . . .
C78 C 0.1860(4) 0.3739(4) 0.41741(15) 0.0636(15) Uani 1 1 d . . . . .
H78 H 0.215716 0.412664 0.406403 0.076 Uiso 1 1 calc R U . . .
C67 C 0.4491(4) 0.6155(5) 0.37803(15) 0.080(2) Uani 1 1 d . . . . .
H67A H 0.475007 0.565603 0.384840 0.121 Uiso 1 1 calc R U . . .
H67B H 0.432864 0.649033 0.395743 0.121 Uiso 1 1 calc R U . . .
H67C H 0.487781 0.646282 0.368201 0.121 Uiso 1 1 calc R U . . .
C38 C 0.6635(4) 0.5434(4) 0.3439(2) 0.092(3) Uani 1 1 d . . . . .
H38A H 0.648092 0.540889 0.364544 0.138 Uiso 1 1 calc R U . . .
H38B H 0.693148 0.493949 0.338101 0.138 Uiso 1 1 calc R U . . .
H38C H 0.614119 0.547564 0.329300 0.138 Uiso 1 1 calc R U . . .
C14 C 1.0778(4) 1.1659(4) 0.34794(17) 0.0756(18) Uani 1 1 d . . . . .
H14J H 1.034846 1.205366 0.342780 0.113 Uiso 1 1 calc R U . . .
H14K H 1.110761 1.156802 0.330961 0.113 Uiso 1 1 calc R U . . .
H14L H 1.112743 1.187150 0.366526 0.113 Uiso 1 1 calc R U . . .
C126 C 0.3941(5) 0.0089(5) 0.11789(15) 0.085(2) Uani 1 1 d . . . . .
H12D H 0.363902 -0.021470 0.099888 0.128 Uiso 1 1 calc R U . . .
H12E H 0.443254 0.033538 0.112035 0.128 Uiso 1 1 calc R U . . .
H12F H 0.359297 0.051928 0.125966 0.128 Uiso 1 1 calc R U . . .
C136 C 0.6287(4) -0.2664(4) 0.08618(17) 0.0722(18) Uani 1 1 d . . . . .
H136 H 0.591632 -0.228575 0.096865 0.087 Uiso 1 1 calc R U . . .
C39 C 0.7575(5) 0.6102(4) 0.31406(18) 0.087(2) Uani 1 1 d . . . . .
H39A H 0.716379 0.594568 0.296537 0.131 Uiso 1 1 calc R U . . .
H39B H 0.800332 0.568856 0.315328 0.131 Uiso 1 1 calc R U . . .
H39C H 0.781803 0.663067 0.311427 0.131 Uiso 1 1 calc R U . . .
C162 C 0.6633(5) 0.4364(5) 0.07571(18) 0.092(2) Uani 1 1 d . . . . .
H16A H 0.624088 0.436196 0.057100 0.138 Uiso 1 1 calc R U . . .
H16B H 0.718660 0.429523 0.070062 0.138 Uiso 1 1 calc R U . . .
H16C H 0.660070 0.488409 0.088185 0.138 Uiso 1 1 calc R U . . .
C122 C 0.6888(4) -0.0152(5) 0.25055(18) 0.084(2) Uani 1 1 d D . . . .
H12G H 0.666956 0.022061 0.266064 0.126 Uiso 0.5 1 calc R U P A 1
H12H H 0.747559 -0.022208 0.256382 0.126 Uiso 0.5 1 calc R U P A 1
H12I H 0.660972 -0.068263 0.249120 0.126 Uiso 0.5 1 calc R U P A 1
H12J H 0.688458 0.039395 0.261382 0.126 Uiso 0.5 1 calc R U P B 2
H12K H 0.742348 -0.040072 0.255464 0.126 Uiso 0.5 1 calc R U P B 2
H12L H 0.646319 -0.049125 0.256959 0.126 Uiso 0.5 1 calc R U P B 2
C70 C 0.4364(6) 0.2836(4) 0.27406(18) 0.101(3) Uani 1 1 d . . . . .
H70A H 0.419114 0.226291 0.270253 0.151 Uiso 1 1 calc R U . . .
H70B H 0.481843 0.289252 0.290687 0.151 Uiso 1 1 calc R U . . .
H70C H 0.454167 0.302071 0.255407 0.151 Uiso 1 1 calc R U . . .
C79 C 0.0952(4) 0.3740(4) 0.40463(19) 0.081(2) Uani 1 1 d . . . . .
H79A H 0.089456 0.363341 0.382255 0.121 Uiso 1 1 calc R U . . .
H79B H 0.071854 0.427278 0.410143 0.121 Uiso 1 1 calc R U . . .
H79C H 0.066191 0.331406 0.413303 0.121 Uiso 1 1 calc R U . . .
C137 C 0.6305(4) -0.3492(4) 0.1004(3) 0.110(3) Uani 1 1 d . . . . .
H13G H 0.665466 -0.387188 0.089737 0.165 Uiso 1 1 calc R U . . .
H13H H 0.574888 -0.371799 0.098364 0.165 Uiso 1 1 calc R U . . .
H13I H 0.652133 -0.340875 0.122183 0.165 Uiso 1 1 calc R U . . .
C179 C 0.4717(4) 0.2538(4) 0.1595(2) 0.084(2) Uani 1 1 d . . . . .
H17G H 0.471751 0.231128 0.179283 0.127 Uiso 1 1 calc R U . . .
H17H H 0.520995 0.287411 0.159941 0.127 Uiso 1 1 calc R U . . .
H17I H 0.471063 0.209242 0.143183 0.127 Uiso 1 1 calc R U . . .
C237 C 0.6162(3) 0.7522(4) 0.24475(12) 0.101(3) Uani 1 1 d G . . . .
H237 H 0.594438 0.792887 0.258045 0.122 Uiso 1 1 calc R U . . .
C236 C 0.5644(2) 0.6956(4) 0.22671(15) 0.113(3) Uani 1 1 d G . . . .
H236 H 0.507173 0.697662 0.227664 0.135 Uiso 1 1 calc R U . . .
C235 C 0.5963(4) 0.6361(3) 0.20726(14) 0.109(3) Uani 1 1 d G . . . .
H235 H 0.560863 0.597443 0.194924 0.130 Uiso 1 1 calc R U . . .
C240 C 0.6800(4) 0.6331(3) 0.20586(12) 0.106(3) Uani 1 1 d G . . . .
H240 H 0.701818 0.592448 0.192566 0.127 Uiso 1 1 calc R U . . .
C239 C 0.7319(3) 0.6897(3) 0.22390(13) 0.090(2) Uani 1 1 d G . . . .
H239 H 0.789085 0.687672 0.222946 0.108 Uiso 1 1 calc R U . . .
C238 C 0.7000(3) 0.7492(3) 0.24335(11) 0.100(3) Uani 1 1 d G . . . .
H238 H 0.735396 0.787892 0.255686 0.119 Uiso 1 1 calc R U . . .
C245 C 1.2275(3) 1.0046(4) 0.24182(15) 0.102(3) Uani 1 1 d G . . . .
H245 H 1.280193 0.995092 0.252147 0.123 Uiso 1 1 calc R U . . .
C246 C 1.2030(4) 0.9649(3) 0.21301(15) 0.101(3) Uani 1 1 d G . . . .
H246 H 1.238987 0.928167 0.203649 0.121 Uiso 1 1 calc R U . . .
C241 C 1.1259(4) 0.9788(3) 0.19791(10) 0.100(3) Uani 1 1 d G . . . .
H241 H 1.109134 0.951649 0.178216 0.120 Uiso 1 1 calc R U . . .
C242 C 1.0732(3) 1.0325(4) 0.21161(15) 0.102(3) Uani 1 1 d G . . . .
H242 H 1.020486 1.042056 0.201280 0.123 Uiso 1 1 calc R U . . .
C243 C 1.0977(3) 1.0723(3) 0.24041(15) 0.104(3) Uani 1 1 d G . . . .
H243 H 1.061690 1.108982 0.249778 0.125 Uiso 1 1 calc R U . . .
C244 C 1.1748(4) 1.0583(4) 0.25552(10) 0.102(3) Uani 1 1 d G . . . .
H244 H 1.191543 1.085502 0.275211 0.122 Uiso 1 1 calc R U . . .
C200 C 0.4217(4) 0.5820(4) 0.13627(17) 0.0792(19) Uani 1 1 d . . . . .
H20J H 0.407168 0.547965 0.116986 0.119 Uiso 1 1 calc R U . . .
H20K H 0.435161 0.547068 0.152985 0.119 Uiso 1 1 calc R U . . .
H20L H 0.469176 0.616346 0.134511 0.119 Uiso 1 1 calc R U . . .
C232 C 1.0109(3) 0.3939(3) 0.29809(12) 0.089(2) Uani 1 1 d G . . . .
H232 H 1.052560 0.419565 0.312575 0.106 Uiso 1 1 calc R U . . .
C231 C 0.9337(4) 0.4282(3) 0.29405(12) 0.092(2) Uani 1 1 d G . . . .
H231 H 0.922529 0.477282 0.305783 0.111 Uiso 1 1 calc R U . . .
C230 C 0.8727(3) 0.3906(4) 0.27285(13) 0.094(2) Uani 1 1 d G . . . .
H230 H 0.819947 0.414082 0.270095 0.112 Uiso 1 1 calc R U . . .
C229 C 0.8890(4) 0.3188(4) 0.25569(11) 0.108(3) Uani 1 1 d G . . . .
H229 H 0.847395 0.293164 0.241198 0.129 Uiso 1 1 calc R U . . .
C234 C 0.9663(5) 0.2845(3) 0.25972(13) 0.111(3) Uani 1 1 d G . . . .
H234 H 0.977426 0.235446 0.247990 0.134 Uiso 1 1 calc R U . . .
C233 C 1.0272(3) 0.3221(4) 0.28092(14) 0.115(3) Uani 1 1 d G . . . .
H233 H 1.080010 0.298645 0.283678 0.138 Uiso 1 1 calc R U . . .
C212 C 0.2426(5) 0.5308(5) 0.21187(18) 0.090(2) Uani 1 1 d . . . . .
H21A H 0.300164 0.547186 0.216967 0.135 Uiso 1 1 calc R U . . .
H21B H 0.229700 0.520771 0.189567 0.135 Uiso 1 1 calc R U . . .
H21C H 0.232852 0.480747 0.221415 0.135 Uiso 1 1 calc R U . . .
C213 C 0.2114(5) 0.6167(5) 0.25771(17) 0.092(2) Uani 1 1 d . . . . .
H21D H 0.204398 0.567743 0.268243 0.138 Uiso 1 1 calc R U . . .
H21E H 0.175388 0.659709 0.264972 0.138 Uiso 1 1 calc R U . . .
H21F H 0.268341 0.635567 0.262047 0.138 Uiso 1 1 calc R U . . .
C180 C 0.4015(4) 0.3790(5) 0.1768(2) 0.091(2) Uani 1 1 d . . . . .
H18G H 0.354080 0.413584 0.172069 0.137 Uiso 1 1 calc R U . . .
H18H H 0.451795 0.410074 0.176110 0.137 Uiso 1 1 calc R U . . .
H18I H 0.401238 0.360975 0.197389 0.137 Uiso 1 1 calc R U . . .
C80 C 0.1934(5) 0.4047(4) 0.45072(17) 0.086(2) Uani 1 1 d . . . . .
H80A H 0.157314 0.372680 0.461243 0.128 Uiso 1 1 calc R U . . .
H80B H 0.177623 0.462227 0.452650 0.128 Uiso 1 1 calc R U . . .
H80C H 0.250055 0.399440 0.460014 0.128 Uiso 1 1 calc R U . . .
C18 C 0.9196(5) 0.7825(5) 0.2680(2) 0.105(3) Uani 1 1 d . . . . .
H18J H 0.887960 0.783180 0.285372 0.157 Uiso 1 1 calc R U . . .
H18K H 0.934765 0.726313 0.261950 0.157 Uiso 1 1 calc R U . . .
H18L H 0.886581 0.804758 0.250675 0.157 Uiso 1 1 calc R U . . .
C71 C 0.2917(5) 0.3261(5) 0.25832(16) 0.092(2) Uani 1 1 d . . . . .
H71A H 0.306679 0.344932 0.239281 0.138 Uiso 1 1 calc R U . . .
H71B H 0.246622 0.359029 0.265082 0.138 Uiso 1 1 calc R U . . .
H71C H 0.274658 0.268702 0.254718 0.138 Uiso 1 1 calc R U . . .
C17 C 1.0493(6) 0.8287(5) 0.25129(18) 0.106(3) Uani 1 1 d . . . . .
H17J H 1.020635 0.852500 0.233431 0.159 Uiso 1 1 calc R U . . .
H17K H 1.061928 0.771616 0.245617 0.159 Uiso 1 1 calc R U . . .
H17L H 1.100132 0.859244 0.258334 0.159 Uiso 1 1 calc R U . . .
C161 C 0.5534(4) 0.3695(6) 0.09800(18) 0.101(3) Uani 1 1 d . . . . .
H16D H 0.542060 0.419120 0.110709 0.152 Uiso 1 1 calc R U . . .
H16E H 0.539649 0.321514 0.108075 0.152 Uiso 1 1 calc R U . . .
H16F H 0.520315 0.368917 0.077938 0.152 Uiso 1 1 calc R U . . .
C138 C 0.5951(5) -0.2803(5) 0.0529(2) 0.104(3) Uani 1 1 d . . . . .
H13J H 0.599500 -0.229656 0.043042 0.157 Uiso 1 1 calc R U . . .
H13K H 0.537609 -0.297128 0.051041 0.157 Uiso 1 1 calc R U . . .
H13L H 0.626407 -0.323149 0.042792 0.157 Uiso 1 1 calc R U . . .
C216 C -0.1014(6) 0.5509(5) 0.12490(18) 0.108(3) Uani 1 1 d . . . . .
H21G H -0.131305 0.511446 0.134819 0.162 Uiso 1 1 calc R U . . .
H21H H -0.055405 0.523760 0.116262 0.162 Uiso 1 1 calc R U . . .
H21I H -0.138171 0.572723 0.108466 0.162 Uiso 1 1 calc R U . . .
C215 C -0.1436(6) 0.6699(5) 0.1556(2) 0.116(3) Uani 1 1 d . . . . .
H21J H -0.172904 0.687751 0.136668 0.175 Uiso 1 1 calc R U . . .
H21K H -0.124717 0.717771 0.169481 0.175 Uiso 1 1 calc R U . . .
H21L H -0.180340 0.636977 0.165486 0.175 Uiso 1 1 calc R U . . .
C159 C 0.8949(5) 0.1954(5) 0.1711(3) 0.112(3) Uani 1 1 d . . . . .
H15G H 0.944769 0.162825 0.171586 0.168 Uiso 1 1 calc R U . . .
H15H H 0.848000 0.161593 0.161780 0.168 Uiso 1 1 calc R U . . .
H15I H 0.886628 0.215511 0.192097 0.168 Uiso 1 1 calc R U . . .
C226 C 0.6380(4) 0.2816(4) 0.22966(13) 0.116(3) Uani 1 1 d G . . . .
H226 H 0.639148 0.237301 0.214377 0.139 Uiso 1 1 calc R U . . .
C227 C 0.6160(4) 0.3588(4) 0.22128(14) 0.119(3) Uani 1 1 d G . . . .
H227 H 0.602083 0.367214 0.200263 0.143 Uiso 1 1 calc R U . . .
C228 C 0.6143(4) 0.4237(3) 0.2436(2) 0.122(3) Uani 1 1 d G . . . .
H228 H 0.599283 0.476429 0.237910 0.146 Uiso 1 1 calc R U . . .
C223 C 0.6347(5) 0.4114(4) 0.27439(18) 0.143(4) Uani 1 1 d G . . . .
H223 H 0.633548 0.455733 0.289671 0.172 Uiso 1 1 calc R U . . .
C224 C 0.6567(4) 0.3342(5) 0.28277(12) 0.122(3) Uani 1 1 d G . . . .
H224 H 0.670613 0.325820 0.303786 0.146 Uiso 1 1 calc R U . . .
C225 C 0.6584(4) 0.2693(3) 0.26041(15) 0.116(3) Uani 1 1 d G . . . .
H225 H 0.673413 0.216604 0.266140 0.139 Uiso 1 1 calc R U . . .
C1A C 0.6751(9) 0.0194(11) 0.2201(4) 0.092(10) Uani 0.5 1 d D . P C 1
H1A H 0.705917 -0.012671 0.205051 0.110 Uiso 0.5 1 calc R U P C 1
C1B C 0.7063(13) 0.1104(14) 0.2248(5) 0.160(12) Uani 0.5 1 d D . P C 1
H1BA H 0.688731 0.137581 0.206257 0.241 Uiso 0.5 1 calc R U P C 1
H1BB H 0.766083 0.111542 0.228785 0.241 Uiso 0.5 1 calc R U P C 1
H1BC H 0.683452 0.138802 0.242257 0.241 Uiso 0.5 1 calc R U P C 1
C102 C 0.8119(3) 0.3644(3) 0.40709(12) 0.0502(12) Uani 1 1 d . . . . .
H102 H 0.765854 0.356160 0.419318 0.060 Uiso 1 1 calc R U . . .
C104 C 0.8136(6) 0.4530(4) 0.40163(18) 0.106(3) Uani 1 1 d . . . . .
H10I H 0.861699 0.464421 0.391664 0.159 Uiso 1 1 calc R U . . .
H10J H 0.816067 0.486382 0.421270 0.159 Uiso 1 1 calc R U . . .
H10K H 0.763964 0.466080 0.388393 0.159 Uiso 1 1 calc R U . . .
C103 C 0.8894(6) 0.3439(5) 0.4263(2) 0.123(4) Uani 1 1 d . . . . .
H10L H 0.887902 0.286355 0.430313 0.185 Uiso 1 1 calc R U . . .
H10M H 0.894805 0.378275 0.445736 0.185 Uiso 1 1 calc R U . . .
H10N H 0.936129 0.353616 0.415296 0.185 Uiso 1 1 calc R U . . .
C121 C 0.6725(6) -0.0090(9) 0.2166(2) 0.038(3) Uani 0.5 1 d D . P C 2
H121 H 0.680393 -0.063317 0.205349 0.045 Uiso 0.5 1 calc R U P C 2
C1C C 0.7358(6) 0.0547(6) 0.2085(2) 0.041(2) Uani 0.5 1 d D . P C 2
H1CA H 0.727456 0.060027 0.186369 0.061 Uiso 0.5 1 calc R U P C 2
H1CB H 0.791489 0.035889 0.214331 0.061 Uiso 0.5 1 calc R U P C 2
H1CC H 0.727851 0.107730 0.219623 0.061 Uiso 0.5 1 calc R U P C 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'
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
_geom_angle_publ_flag
O4 Ge4 Cl4 97.84(11) . . ?
O2 Ge2 Cl2 97.88(11) . . ?
O1 Ge1 Cl1 97.62(12) . . ?
O3 Ge3 Cl3 98.40(11) . . ?
B10 O4 Ge4 130.1(3) . . ?
B4 O2 Ge2 132.6(3) . . ?
B7 O3 Ge3 131.2(3) . . ?
B1 O1 Ge1 133.3(3) . . ?
C84 N11 C59 118.8(4) . . ?
C84 N11 B6 133.9(4) . . ?
C59 N11 B6 106.6(4) . . ?
B5 N7 C55 121.1(4) . . ?
B5 N7 B4 132.8(4) . . ?
B4 N7 C55 105.8(3) . . ?
C181 N22 C166 118.6(3) . . ?
C181 N22 B11 132.7(4) . . ?
C166 N22 B11 107.7(4) . . ?
B11 N19 C163 121.9(4) . . ?
B11 N19 B10 130.0(4) . . ?
B10 N19 C163 106.1(3) . . ?
B3 N2 C1 121.3(3) . . ?
B3 N2 B1 132.9(4) . . ?
B1 N2 C1 105.8(3) . . ?
C60 N12 C96 119.1(4) . . ?
C60 N12 B6 108.2(4) . . ?
C96 N12 B6 131.3(4) . . ?
C151 N17 B9 130.6(4) . . ?
C114 N17 C151 120.6(4) . . ?
C114 N17 B9 107.7(4) . . ?
C43 N3 B2 133.2(4) . . ?
C5 N3 C43 118.3(3) . . ?
C5 N3 B2 107.8(3) . . ?
B2 N1 C2 121.4(3) . . ?
B2 N1 B1 130.4(4) . . ?
B1 N1 C2 105.8(3) . . ?
C169 N21 B11 129.2(4) . . ?
C165 N21 C169 121.6(4) . . ?
C165 N21 B11 108.5(4) . . ?
C72 N9 B5 136.7(4) . . ?
C57 N9 C72 116.3(4) . . ?
C57 N9 B5 107.0(4) . . ?
C193 N24 B12 136.2(4) . . ?
C168 N24 C193 116.3(4) . . ?
C168 N24 B12 107.3(4) . . ?
B10 N20 C164 105.2(3) . . ?
B12 N20 C164 120.9(4) . . ?
B12 N20 B10 133.9(4) . . ?
B9 N14 C110 121.2(4) . . ?
B7 N14 C110 107.4(3) . . ?
B7 N14 B9 130.0(4) . . ?
C127 N16 B8 136.0(4) . . ?
C111 N16 C127 116.5(4) . . ?
C111 N16 B8 107.5(4) . . ?
C7 N6 B3 133.1(4) . . ?
C4 N6 C7 117.7(4) . . ?
C4 N6 B3 108.5(4) . . ?
C112 N15 C115 117.9(4) . . ?
C112 N15 B8 108.3(4) . . ?
C115 N15 B8 133.0(4) . . ?
B8 N13 C109 122.0(4) . . ?
B8 N13 B7 133.3(4) . . ?
B7 N13 C109 104.5(4) . . ?
C31 N4 B2 129.9(4) . . ?
C6 N4 C31 120.2(3) . . ?
C6 N4 B2 108.1(4) . . ?
C113 N18 C139 119.5(4) . . ?
C113 N18 B9 107.8(4) . . ?
C139 N18 B9 131.7(4) . . ?
C61 N10 B5 132.5(4) . . ?
C58 N10 C61 117.6(4) . . ?
C58 N10 B5 108.1(4) . . ?
C19 N5 B3 134.7(4) . . ?
C3 N5 C19 117.9(4) . . ?
C3 N5 B3 107.2(4) . . ?
C167 N23 C205 118.1(4) . . ?
C167 N23 B12 108.4(4) . . ?
B12 N23 C205 133.2(4) . . ?
B6 N8 C56 121.2(4) . . ?
B6 N8 B4 130.4(4) . . ?
B4 N8 C56 106.5(3) . . ?
N11 C84 C89 119.8(4) . . ?
N11 C84 C85 119.5(4) . . ?
C85 C84 C89 120.7(4) . . ?
C140 C145 H145 107.8 . . ?
C140 C145 C147 110.2(4) . . ?
C140 C145 C146 112.5(4) . . ?
C147 C145 H145 107.8 . . ?
C146 C145 H145 107.8 . . ?
C146 C145 C147 110.4(4) . . ?
N12 C60 H60 125.3 . . ?
C59 C60 N12 109.4(4) . . ?
C59 C60 H60 125.3 . . ?
C72 C73 C81 121.6(4) . . ?
C74 C73 C72 118.2(4) . . ?
C74 C73 C81 120.1(4) . . ?
C174 C169 N21 119.8(4) . . ?
C170 C169 N21 118.3(4) . . ?
C170 C169 C174 121.9(4) . . ?
C101 C96 N12 119.6(4) . . ?
C101 C96 C97 121.9(4) . . ?
C97 C96 N12 118.5(4) . . ?
C156 C151 N17 118.4(4) . . ?
C152 C151 N17 119.7(4) . . ?
C152 C151 C156 121.9(5) . . ?
C182 C181 N22 119.3(4) . . ?
C182 C181 C186 121.2(4) . . ?
C186 C181 N22 119.4(4) . . ?
C44 C43 N3 118.6(4) . . ?
C48 C43 N3 119.3(4) . . ?
C48 C43 C44 122.0(4) . . ?
C43 C44 C49 122.5(4) . . ?
C45 C44 C43 117.5(4) . . ?
C45 C44 C49 120.0(4) . . ?
N7 C55 H55A 110.8 . . ?
N7 C55 H55B 110.8 . . ?
N7 C55 C56 104.8(3) . . ?
H55A C55 H55B 108.9 . . ?
C56 C55 H55A 110.8 . . ?
C56 C55 H55B 110.8 . . ?
N22 C166 H166 125.1 . . ?
C165 C166 N22 109.7(4) . . ?
C165 C166 H166 125.1 . . ?
N11 C59 H59 124.8 . . ?
C60 C59 N11 110.4(4) . . ?
C60 C59 H59 124.8 . . ?
C182 C187 H187 107.8 . . ?
C182 C187 C188 110.7(4) . . ?
C182 C187 C189 112.5(4) . . ?
C188 C187 H187 107.8 . . ?
C189 C187 H187 107.8 . . ?
C189 C187 C188 110.2(4) . . ?
C43 C48 C47 117.7(4) . . ?
C43 C48 C52 121.6(4) . . ?
C47 C48 C52 120.4(4) . . ?
C62 C61 N10 119.4(4) . . ?
C108 C61 N10 117.8(4) . . ?
C108 C61 C62 122.8(4) . . ?
C20 C19 N5 119.2(4) . . ?
C24 C19 N5 119.3(4) . . ?
C24 C19 C20 121.1(4) . . ?
C73 C72 N9 119.2(4) . . ?
C77 C72 N9 120.1(4) . . ?
C77 C72 C73 120.5(4) . . ?
C31 C32 C37 121.5(4) . . ?
C31 C32 C33 118.3(5) . . ?
C33 C32 C37 120.2(5) . . ?
C194 C193 N24 118.3(4) . . ?
C198 C193 N24 119.7(4) . . ?
C198 C193 C194 121.8(4) . . ?
N20 C164 H16G 110.8 . . ?
N20 C164 H16H 110.8 . . ?
N20 C164 C163 105.0(3) . . ?
H16G C164 H16H 108.8 . . ?
C163 C164 H16G 110.8 . . ?
C163 C164 H16H 110.8 . . ?
C169 C174 C178 121.7(4) . . ?
C173 C174 C169 118.0(5) . . ?
C173 C174 C178 120.3(4) . . ?
C169 C170 C175 121.4(4) . . ?
C169 C170 C171 117.6(5) . . ?
C171 C170 C175 121.0(5) . . ?
C89 C90 H90 107.9 . . ?
C89 C90 C91 110.3(4) . . ?
C89 C90 C92 112.6(4) . . ?
C91 C90 H90 107.9 . . ?
C92 C90 H90 107.9 . . ?
C92 C90 C91 110.0(4) . . ?
N19 C163 C164 104.1(3) . . ?
N19 C163 H16I 110.9 . . ?
N19 C163 H16J 110.9 . . ?
C164 C163 H16I 110.9 . . ?
C164 C163 H16J 110.9 . . ?
H16I C163 H16J 108.9 . . ?
C61 C62 C63 117.4(5) . . ?
C61 C62 C66 122.5(4) . . ?
C63 C62 C66 120.1(4) . . ?
C151 C156 C160 121.7(4) . . ?
C155 C156 C151 117.4(5) . . ?
C155 C156 C160 121.0(5) . . ?
N1 C2 H2A 110.8 . . ?
N1 C2 H2B 110.8 . . ?
N1 C2 C1 104.9(3) . . ?
H2A C2 H2B 108.8 . . ?
C1 C2 H2A 110.8 . . ?
C1 C2 H2B 110.8 . . ?
C84 C89 C90 121.3(4) . . ?
C88 C89 C84 117.9(4) . . ?
C88 C89 C90 120.8(4) . . ?
N3 C5 H5 125.1 . . ?
C6 C5 N3 109.9(4) . . ?
C6 C5 H5 125.1 . . ?
C181 C182 C187 122.2(4) . . ?
C183 C182 C181 118.1(4) . . ?
C183 C182 C187 119.6(4) . . ?
C12 C7 N6 118.3(4) . . ?
C8 C7 N6 119.9(4) . . ?
C8 C7 C12 121.8(4) . . ?
C187 C188 H18A 109.5 . . ?
C187 C188 H18B 109.5 . . ?
C187 C188 H18C 109.5 . . ?
H18A C188 H18B 109.5 . . ?
H18A C188 H18C 109.5 . . ?
H18B C188 H18C 109.5 . . ?
C139 C140 C145 121.9(4) . . ?
C139 C140 C141 118.4(4) . . ?
C141 C140 C145 119.6(4) . . ?
C181 C186 C190 120.3(4) . . ?
C185 C186 C181 118.3(4) . . ?
C185 C186 C190 121.2(4) . . ?
N2 C1 C2 104.9(4) . . ?
N2 C1 H1B 110.8 . . ?
N2 C1 H1C 110.8 . . ?
C2 C1 H1B 110.8 . . ?
C2 C1 H1C 110.8 . . ?
H1B C1 H1C 108.8 . . ?
C32 C31 N4 120.7(4) . . ?
C32 C31 C36 121.3(4) . . ?
C36 C31 N4 117.9(4) . . ?
N5 C3 H3 124.4 . . ?
C4 C3 N5 111.3(4) . . ?
C4 C3 H3 124.4 . . ?
C84 C85 C93 120.8(4) . . ?
C86 C85 C84 118.5(4) . . ?
C86 C85 C93 120.6(4) . . ?
C193 C194 C199 121.6(4) . . ?
C195 C194 C193 117.0(5) . . ?
C195 C194 C199 121.4(5) . . ?
C44 C45 H45 119.3 . . ?
C46 C45 C44 121.3(4) . . ?
C46 C45 H45 119.3 . . ?
N4 C6 H6 125.1 . . ?
C5 C6 N4 109.8(4) . . ?
C5 C6 H6 125.1 . . ?
N8 C56 C55 104.9(3) . . ?
N8 C56 H56A 110.8 . . ?
N8 C56 H56B 110.8 . . ?
C55 C56 H56A 110.8 . . ?
C55 C56 H56B 110.8 . . ?
H56A C56 H56B 108.8 . . ?
N14 C110 H11A 111.1 . . ?
N14 C110 H11B 111.1 . . ?
N14 C110 C109 103.2(3) . . ?
H11A C110 H11B 109.1 . . ?
C109 C110 H11A 111.1 . . ?
C109 C110 H11B 111.1 . . ?
N9 C57 H57 124.7 . . ?
C58 C57 N9 110.5(4) . . ?
C58 C57 H57 124.7 . . ?
C85 C86 H86 119.3 . . ?
C87 C86 C85 121.4(5) . . ?
C87 C86 H86 119.3 . . ?
C73 C74 H74 119.0 . . ?
C75 C74 C73 122.1(5) . . ?
C75 C74 H74 119.0 . . ?
C96 C101 C105 122.6(4) . . ?
C100 C101 C96 117.3(5) . . ?
C100 C101 C105 120.1(5) . . ?
C210 C205 N23 119.0(5) . . ?
C210 C205 C206 122.3(5) . . ?
C206 C205 N23 118.7(5) . . ?
N15 C112 H112 125.0 . . ?
C111 C112 N15 110.1(4) . . ?
C111 C112 H112 125.0 . . ?
N13 C109 C110 105.5(3) . . ?
N13 C109 H10A 110.6 . . ?
N13 C109 H10B 110.6 . . ?
C110 C109 H10A 110.6 . . ?
C110 C109 H10B 110.6 . . ?
H10A C109 H10B 108.8 . . ?
N21 C165 H165 125.1 . . ?
C166 C165 N21 109.7(4) . . ?
C166 C165 H165 125.1 . . ?
C31 C36 C40 121.3(4) . . ?
C35 C36 C31 117.6(5) . . ?
C35 C36 C40 121.0(5) . . ?
C44 C49 H49 107.8 . . ?
C44 C49 C51 110.8(4) . . ?
C44 C49 C50 112.5(4) . . ?
C51 C49 H49 107.8 . . ?
C50 C49 H49 107.8 . . ?
C50 C49 C51 110.1(4) . . ?
C186 C185 H185 119.4 . . ?
C186 C185 C184 121.2(4) . . ?
C184 C185 H185 119.4 . . ?
N6 C4 H4 125.6 . . ?
C3 C4 N6 108.8(4) . . ?
C3 C4 H4 125.6 . . ?
C7 C12 C16 122.2(4) . . ?
C11 C12 C7 118.2(5) . . ?
C11 C12 C16 119.6(5) . . ?
C145 C147 H14A 109.5 . . ?
C145 C147 H14B 109.5 . . ?
C145 C147 H14C 109.5 . . ?
H14A C147 H14B 109.5 . . ?
H14A C147 H14C 109.5 . . ?
H14B C147 H14C 109.5 . . ?
C186 C190 H190 107.7 . . ?
C186 C190 C192 113.9(4) . . ?
C192 C190 H190 107.7 . . ?
C191 C190 C186 109.2(4) . . ?
C191 C190 H190 107.7 . . ?
C191 C190 C192 110.3(4) . . ?
C62 C63 H63 119.5 . . ?
C64 C63 C62 120.9(5) . . ?
C64 C63 H63 119.5 . . ?
C89 C88 H88 119.0 . . ?
C87 C88 C89 122.1(4) . . ?
C87 C88 H88 119.0 . . ?
C74 C75 H75 120.2 . . ?
C76 C75 C74 119.6(5) . . ?
C76 C75 H75 120.2 . . ?
C182 C183 H183 119.2 . . ?
C184 C183 C182 121.5(4) . . ?
C184 C183 H183 119.2 . . ?
N17 C114 H114 125.2 . . ?
C113 C114 N17 109.5(4) . . ?
C113 C114 H114 125.2 . . ?
N18 C113 H113 124.9 . . ?
C114 C113 N18 110.1(4) . . ?
C114 C113 H113 124.9 . . ?
C170 C175 H175 107.3 . . ?
C176 C175 C170 114.5(5) . . ?
C176 C175 H175 107.3 . . ?
C177 C175 C170 110.3(5) . . ?
C177 C175 H175 107.3 . . ?
C177 C175 C176 110.0(5) . . ?
C10 C9 H9 119.4 . . ?
C10 C9 C8 121.2(5) . . ?
C8 C9 H9 119.4 . . ?
C90 C91 H91A 109.5 . . ?
C90 C91 H91B 109.5 . . ?
C90 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C128 C127 N16 119.7(4) . . ?
C128 C127 C132 121.2(5) . . ?
C132 C127 N16 119.0(4) . . ?
C48 C47 H47 119.4 . . ?
C46 C47 C48 121.1(5) . . ?
C46 C47 H47 119.4 . . ?
C140 C139 N18 119.4(4) . . ?
C140 C139 C144 121.7(4) . . ?
C144 C139 N18 118.8(4) . . ?
C73 C81 H81 107.3 . . ?
C73 C81 C83 111.0(4) . . ?
C73 C81 C82 112.6(4) . . ?
C83 C81 H81 107.3 . . ?
C83 C81 C82 111.0(4) . . ?
C82 C81 H81 107.3 . . ?
C85 C93 H93 107.5 . . ?
C95 C93 C85 114.4(5) . . ?
C95 C93 H93 107.5 . . ?
C94 C93 C85 108.6(4) . . ?
C94 C93 H93 107.5 . . ?
C94 C93 C95 111.0(5) . . ?
C32 C37 H37 108.6 . . ?
C32 C37 C39 111.1(5) . . ?
C38 C37 C32 110.2(5) . . ?
C38 C37 H37 108.6 . . ?
C38 C37 C39 109.5(6) . . ?
C39 C37 H37 108.6 . . ?
C187 C189 H18D 109.5 . . ?
C187 C189 H18E 109.5 . . ?
C187 C189 H18F 109.5 . . ?
H18D C189 H18E 109.5 . . ?
H18D C189 H18F 109.5 . . ?
H18E C189 H18F 109.5 . . ?
C185 C184 H184 120.2 . . ?
C183 C184 C185 119.5(4) . . ?
C183 C184 H184 120.2 . . ?
C145 C146 H14D 109.5 . . ?
C145 C146 H14E 109.5 . . ?
C145 C146 H14F 109.5 . . ?
H14D C146 H14E 109.5 . . ?
H14D C146 H14F 109.5 . . ?
H14E C146 H14F 109.5 . . ?
C140 C141 H141 119.8 . . ?
C142 C141 C140 120.5(5) . . ?
C142 C141 H141 119.8 . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.7(5) . . ?
C34 C33 H33 119.7 . . ?
C12 C11 H11 119.6 . . ?
C10 C11 C12 120.9(5) . . ?
C10 C11 H11 119.6 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.1(5) . . ?
C11 C10 H10 120.0 . . ?
C48 C52 H52 107.4 . . ?
C48 C52 C53 109.1(4) . . ?
C54 C52 C48 114.5(4) . . ?
C54 C52 H52 107.4 . . ?
C54 C52 C53 110.7(4) . . ?
C53 C52 H52 107.4 . . ?
C194 C195 H195 118.9 . . ?
C196 C195 C194 122.2(5) . . ?
C196 C195 H195 118.9 . . ?
C174 C173 H173 119.5 . . ?
C172 C173 C174 121.0(5) . . ?
C172 C173 H173 119.5 . . ?
C144 C143 H143 119.3 . . ?
C142 C143 H143 119.3 . . ?
C142 C143 C144 121.4(5) . . ?
C108 C65 H65 119.6 . . ?
C64 C65 H65 119.6 . . ?
C64 C65 C108 120.7(5) . . ?
C139 C144 C148 121.6(4) . . ?
C143 C144 C139 117.4(4) . . ?
C143 C144 C148 120.9(4) . . ?
C61 C108 C65 118.0(5) . . ?
C61 C108 C69 121.7(5) . . ?
C65 C108 C69 120.3(5) . . ?
C96 C97 C102 121.7(4) . . ?
C98 C97 C96 117.3(5) . . ?
C98 C97 C102 120.9(5) . . ?
C19 C20 C25 123.1(4) . . ?
C21 C20 C19 118.1(5) . . ?
C21 C20 C25 118.6(5) . . ?
C45 C46 C47 120.2(5) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.2(5) . . ?
C22 C21 H21 119.4 . . ?
C7 C8 C13 122.6(4) . . ?
C9 C8 C7 117.7(5) . . ?
C9 C8 C13 119.6(5) . . ?
C36 C40 H40 107.7 . . ?
C36 C40 C42 113.2(4) . . ?
C36 C40 C41 110.4(4) . . ?
C42 C40 H40 107.7 . . ?
C41 C40 H40 107.7 . . ?
C41 C40 C42 110.0(5) . . ?
C193 C198 C197 118.3(5) . . ?
C193 C198 C202 123.0(4) . . ?
C197 C198 C202 118.6(5) . . ?
N23 C167 H167 125.1 . . ?
C168 C167 N23 109.9(4) . . ?
C168 C167 H167 125.1 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C63 C64 H64 119.9 . . ?
C65 C64 C63 120.2(5) . . ?
C65 C64 H64 119.9 . . ?
C170 C171 H171 119.2 . . ?
C172 C171 C170 121.6(5) . . ?
C172 C171 H171 119.2 . . ?
C151 C152 C157 122.5(5) . . ?
C153 C152 C151 118.2(5) . . ?
C153 C152 C157 119.4(5) . . ?
C144 C148 H148 107.5 . . ?
C144 C148 C150 108.9(5) . . ?
C149 C148 C144 114.6(5) . . ?
C149 C148 H148 107.5 . . ?
C149 C148 C150 110.5(5) . . ?
C150 C148 H148 107.5 . . ?
C194 C199 H199 107.4 . . ?
C194 C199 C201 110.2(5) . . ?
C194 C199 C200 113.6(5) . . ?
C201 C199 H199 107.4 . . ?
C200 C199 H199 107.4 . . ?
C200 C199 C201 110.6(5) . . ?
C205 C210 C214 122.7(4) . . ?
C205 C210 C209 117.3(5) . . ?
C209 C210 C214 120.0(5) . . ?
C19 C24 C28 121.6(4) . . ?
C23 C24 C19 117.9(4) . . ?
C23 C24 C28 120.5(4) . . ?
N24 C168 H168 125.1 . . ?
C167 C168 N24 109.9(4) . . ?
C167 C168 H168 125.1 . . ?
C205 C206 C211 122.6(5) . . ?
C207 C206 C205 117.6(5) . . ?
C207 C206 C211 119.8(5) . . ?
C90 C92 H92A 109.5 . . ?
C90 C92 H92B 109.5 . . ?
C90 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C127 C128 C133 121.0(4) . . ?
C129 C128 C127 118.3(5) . . ?
C129 C128 C133 120.7(4) . . ?
N10 C58 H58 125.2 . . ?
C57 C58 N10 109.7(4) . . ?
C57 C58 H58 125.2 . . ?
C120 C124 H124 108.3 . . ?
C125 C124 H124 108.3 . . ?
C125 C124 C120 111.3(4) . . ?
C126 C124 H124 108.3 . . ?
C126 C124 C120 112.0(4) . . ?
C126 C124 C125 108.7(5) . . ?
C75 C76 H76 119.5 . . ?
C75 C76 C77 120.9(5) . . ?
C77 C76 H76 119.5 . . ?
C24 C23 H23 119.5 . . ?
C22 C23 C24 121.0(5) . . ?
C22 C23 H23 119.5 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N22 B11 N21 104.4(4) . . ?
N19 B11 N22 129.2(4) . . ?
N19 B11 N21 126.5(4) . . ?
C36 C35 H35 119.2 . . ?
C34 C35 C36 121.6(5) . . ?
C34 C35 H35 119.2 . . ?
C195 C196 H196 120.0 . . ?
C197 C196 C195 120.0(5) . . ?
C197 C196 H196 120.0 . . ?
C141 C142 H142 119.7 . . ?
C143 C142 C141 120.6(5) . . ?
C143 C142 H142 119.7 . . ?
C116 C117 H117 120.0 . . ?
C116 C117 C118 120.0 . . ?
C118 C117 H117 120.0 . . ?
C117 C116 C1A 112.4(7) . . ?
C117 C116 C121 126.0(5) . . ?
C115 C116 C117 120.0 . . ?
C115 C116 C1A 127.5(7) . . ?
C115 C116 C121 113.5(5) . . ?
C116 C115 N15 119.2(2) . . ?
C116 C115 C120 120.0 . . ?
C120 C115 N15 120.8(2) . . ?
C115 C120 C124 121.4(3) . . ?
C119 C120 C124 118.6(3) . . ?
C119 C120 C115 120.0 . . ?
C120 C119 H119 120.0 . . ?
C118 C119 C120 120.0 . . ?
C118 C119 H119 120.0 . . ?
C117 C118 H118 120.0 . . ?
C119 C118 C117 120.0 . . ?
C119 C118 H118 120.0 . . ?
C173 C172 H172 120.1 . . ?
C171 C172 C173 119.9(5) . . ?
C171 C172 H172 120.1 . . ?
C156 C160 H160 106.7 . . ?
C156 C160 C161 115.2(5) . . ?
C162 C160 C156 111.2(5) . . ?
C162 C160 H160 106.7 . . ?
C162 C160 C161 110.0(5) . . ?
C161 C160 H160 106.7 . . ?
C190 C192 H19A 109.5 . . ?
C190 C192 H19B 109.5 . . ?
C190 C192 H19C 109.5 . . ?
H19A C192 H19B 109.5 . . ?
H19A C192 H19C 109.5 . . ?
H19B C192 H19C 109.5 . . ?
N15 B8 N16 103.8(4) . . ?
N13 B8 N16 129.9(4) . . ?
N13 B8 N15 126.0(4) . . ?
C174 C178 H178 107.6 . . ?
C174 C178 C180 112.9(5) . . ?
C179 C178 C174 110.7(4) . . ?
C179 C178 H178 107.6 . . ?
C179 C178 C180 110.3(5) . . ?
C180 C178 H178 107.6 . . ?
C72 C77 C76 118.7(5) . . ?
C72 C77 C78 123.3(5) . . ?
C76 C77 C78 117.8(5) . . ?
C86 C87 H87 120.3 . . ?
C88 C87 C86 119.4(5) . . ?
C88 C87 H87 120.3 . . ?
C198 C197 H197 119.7 . . ?
C196 C197 C198 120.6(5) . . ?
C196 C197 H197 119.7 . . ?
C21 C22 C23 120.6(5) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C12 C16 H16 107.2 . . ?
C18 C16 C12 113.4(5) . . ?
C18 C16 H16 107.2 . . ?
C18 C16 C17 111.2(6) . . ?
C17 C16 C12 110.2(5) . . ?
C17 C16 H16 107.2 . . ?
C101 C105 H105 108.0 . . ?
C101 C105 C106 110.8(4) . . ?
C101 C105 C107 111.8(4) . . ?
C106 C105 H105 108.0 . . ?
C107 C105 H105 108.0 . . ?
C107 C105 C106 110.2(5) . . ?
N7 B5 N9 129.3(4) . . ?
N7 B5 N10 125.7(4) . . ?
N10 B5 N9 104.8(4) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.4(5) . . ?
C35 C34 H34 119.8 . . ?
N16 C111 H111 124.9 . . ?
C112 C111 N16 110.2(4) . . ?
C112 C111 H111 124.9 . . ?
O4 B10 N19 122.8(4) . . ?
O4 B10 N20 126.1(4) . . ?
N19 B10 N20 111.1(4) . . ?
C62 C66 H66 108.2 . . ?
C62 C66 C68 110.7(5) . . ?
C62 C66 C67 112.7(4) . . ?
C68 C66 H66 108.2 . . ?
C67 C66 H66 108.2 . . ?
C67 C66 C68 108.8(5) . . ?
N12 B6 N11 105.4(4) . . ?
N8 B6 N11 127.4(4) . . ?
N8 B6 N12 127.1(4) . . ?
C128 C133 H133 107.5 . . ?
C128 C133 C134 112.9(5) . . ?
C128 C133 C135 111.0(5) . . ?
C134 C133 H133 107.5 . . ?
C135 C133 H133 107.5 . . ?
C135 C133 C134 110.1(5) . . ?
N2 B3 N6 125.7(4) . . ?
N2 B3 N5 130.0(4) . . ?
N5 B3 N6 104.2(4) . . ?
C190 C191 H19D 109.5 . . ?
C190 C191 H19E 109.5 . . ?
C190 C191 H19F 109.5 . . ?
H19D C191 H19E 109.5 . . ?
H19D C191 H19F 109.5 . . ?
H19E C191 H19F 109.5 . . ?
C156 C155 H155 119.2 . . ?
C154 C155 C156 121.6(6) . . ?
C154 C155 H155 119.2 . . ?
C81 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
C81 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C127 C132 C136 123.4(5) . . ?
C131 C132 C127 117.6(5) . . ?
C131 C132 C136 118.7(5) . . ?
O2 B4 N7 126.2(4) . . ?
O2 B4 N8 123.0(4) . . ?
N8 B4 N7 110.7(4) . . ?
C199 C201 H20A 109.5 . . ?
C199 C201 H20B 109.5 . . ?
C199 C201 H20C 109.5 . . ?
H20A C201 H20B 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
C105 C106 H10C 109.5 . . ?
C105 C106 H10D 109.5 . . ?
C105 C106 H10E 109.5 . . ?
H10C C106 H10D 109.5 . . ?
H10C C106 H10E 109.5 . . ?
H10D C106 H10E 109.5 . . ?
C152 C153 H153 119.9 . . ?
C152 C153 C154 120.2(6) . . ?
C154 C153 H153 119.9 . . ?
N1 B2 N3 129.2(4) . . ?
N1 B2 N4 126.3(4) . . ?
N4 B2 N3 104.4(4) . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C24 C28 H28 107.1 . . ?
C24 C28 C30 113.1(5) . . ?
C29 C28 C24 110.9(4) . . ?
C29 C28 H28 107.1 . . ?
C29 C28 C30 111.2(5) . . ?
C30 C28 H28 107.1 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C97 C98 H98 119.0 . . ?
C99 C98 C97 122.1(5) . . ?
C99 C98 H98 119.0 . . ?
C210 C214 H214 108.7 . . ?
C210 C214 C215 110.2(6) . . ?
C216 C214 C210 113.2(5) . . ?
C216 C214 H214 108.7 . . ?
C216 C214 C215 107.3(7) . . ?
C215 C214 H214 108.7 . . ?
C206 C207 H207 119.8 . . ?
C208 C207 C206 120.5(6) . . ?
C208 C207 H207 119.8 . . ?
N20 B12 N24 129.1(4) . . ?
N20 B12 N23 126.4(4) . . ?
N23 B12 N24 104.4(4) . . ?
C128 C129 H129 119.2 . . ?
C130 C129 C128 121.5(5) . . ?
C130 C129 H129 119.2 . . ?
O1 B1 N2 126.3(4) . . ?
O1 B1 N1 122.3(4) . . ?
N2 B1 N1 111.3(4) . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N14 B9 N17 126.6(4) . . ?
N18 B9 N17 104.9(4) . . ?
N18 B9 N14 128.5(4) . . ?
C132 C131 H131 119.2 . . ?
C130 C131 C132 121.7(5) . . ?
C130 C131 H131 119.2 . . ?
O3 B7 N14 123.6(4) . . ?
O3 B7 N13 126.3(4) . . ?
N14 B7 N13 110.1(4) . . ?
C210 C209 H209 119.4 . . ?
C208 C209 C210 121.2(6) . . ?
C208 C209 H209 119.4 . . ?
C129 C130 H130 120.2 . . ?
C131 C130 C129 119.6(5) . . ?
C131 C130 H130 120.2 . . ?
C198 C202 H202 108.7 . . ?
C203 C202 C198 110.1(5) . . ?
C203 C202 H202 108.7 . . ?
C204 C202 C198 113.2(5) . . ?
C204 C202 H202 108.7 . . ?
C204 C202 C203 107.3(5) . . ?
C105 C107 H10F 109.5 . . ?
C105 C107 H10G 109.5 . . ?
C105 C107 H10H 109.5 . . ?
H10F C107 H10G 109.5 . . ?
H10F C107 H10H 109.5 . . ?
H10G C107 H10H 109.5 . . ?
C20 C25 H25 108.1 . . ?
C26 C25 C20 110.1(4) . . ?
C26 C25 H25 108.1 . . ?
C27 C25 C20 114.1(5) . . ?
C27 C25 H25 108.1 . . ?
C27 C25 C26 108.1(5) . . ?
C108 C69 H69 107.2 . . ?
C108 C69 C71 111.5(6) . . ?
C70 C69 C108 111.9(6) . . ?
C70 C69 H69 107.2 . . ?
C70 C69 C71 111.6(6) . . ?
C71 C69 H69 107.2 . . ?
C152 C157 H157 107.5 . . ?
C158 C157 C152 111.7(5) . . ?
C158 C157 H157 107.5 . . ?
C158 C157 C159 110.7(6) . . ?
C159 C157 C152 111.6(5) . . ?
C159 C157 H157 107.5 . . ?
C93 C95 H95A 109.5 . . ?
C93 C95 H95B 109.5 . . ?
C93 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C101 C100 H100 119.0 . . ?
C99 C100 C101 122.0(6) . . ?
C99 C100 H100 119.0 . . ?
C8 C13 H13 108.0 . . ?
C8 C13 C15 112.2(5) . . ?
C8 C13 C14 111.4(5) . . ?
C15 C13 H13 108.0 . . ?
C15 C13 C14 109.2(5) . . ?
C14 C13 H13 108.0 . . ?
C155 C154 C153 120.7(5) . . ?
C155 C154 H154 119.7 . . ?
C153 C154 H154 119.7 . . ?
C202 C203 H20D 109.5 . . ?
C202 C203 H20E 109.5 . . ?
C202 C203 H20F 109.5 . . ?
H20D C203 H20E 109.5 . . ?
H20D C203 H20F 109.5 . . ?
H20E C203 H20F 109.5 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C206 C211 H211 106.3 . . ?
C212 C211 C206 112.7(6) . . ?
C212 C211 H211 106.3 . . ?
C212 C211 C213 110.7(6) . . ?
C213 C211 C206 114.1(5) . . ?
C213 C211 H211 106.3 . . ?
C13 C15 H15J 109.5 . . ?
C13 C15 H15K 109.5 . . ?
C13 C15 H15L 109.5 . . ?
H15J C15 H15K 109.5 . . ?
H15J C15 H15L 109.5 . . ?
H15K C15 H15L 109.5 . . ?
C207 C208 C209 121.1(5) . . ?
C207 C208 H208 119.4 . . ?
C209 C208 H208 119.4 . . ?
C157 C158 H15A 109.5 . . ?
C157 C158 H15B 109.5 . . ?
C157 C158 H15C 109.5 . . ?
H15A C158 H15B 109.5 . . ?
H15A C158 H15C 109.5 . . ?
H15B C158 H15C 109.5 . . ?
C124 C125 H12A 109.5 . . ?
C124 C125 H12B 109.5 . . ?
C124 C125 H12C 109.5 . . ?
H12A C125 H12B 109.5 . . ?
H12A C125 H12C 109.5 . . ?
H12B C125 H12C 109.5 . . ?
C133 C134 H13A 109.5 . . ?
C133 C134 H13B 109.5 . . ?
C133 C134 H13C 109.5 . . ?
H13A C134 H13B 109.5 . . ?
H13A C134 H13C 109.5 . . ?
H13B C134 H13C 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C148 C149 H14G 109.5 . . ?
C148 C149 H14H 109.5 . . ?
C148 C149 H14I 109.5 . . ?
H14G C149 H14H 109.5 . . ?
H14G C149 H14I 109.5 . . ?
H14H C149 H14I 109.5 . . ?
C98 C99 C100 119.4(5) . . ?
C98 C99 H99 120.3 . . ?
C100 C99 H99 120.3 . . ?
C175 C176 H17A 109.5 . . ?
C175 C176 H17B 109.5 . . ?
C175 C176 H17C 109.5 . . ?
H17A C176 H17B 109.5 . . ?
H17A C176 H17C 109.5 . . ?
H17B C176 H17C 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C221 C220 H220 120.0 . . ?
C221 C220 C219 120.0 . . ?
C219 C220 H220 120.0 . . ?
C220 C221 H221 120.0 . . ?
C220 C221 C222 120.0 . . ?
C222 C221 H221 120.0 . . ?
C221 C222 H222 120.0 . . ?
C221 C222 C217 120.0 . . ?
C217 C222 H222 120.0 . . ?
C222 C217 H217 120.0 . . ?
C222 C217 C218 120.0 . . ?
C218 C217 H217 120.0 . . ?
C217 C218 H218 120.0 . . ?
C219 C218 C217 120.0 . . ?
C219 C218 H218 120.0 . . ?
C220 C219 H219 120.0 . . ?
C218 C219 C220 120.0 . . ?
C218 C219 H219 120.0 . . ?
C202 C204 H20G 109.5 . . ?
C202 C204 H20H 109.5 . . ?
C202 C204 H20I 109.5 . . ?
H20G C204 H20H 109.5 . . ?
H20G C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
C148 C150 H15D 109.5 . . ?
C148 C150 H15E 109.5 . . ?
C148 C150 H15F 109.5 . . ?
H15D C150 H15E 109.5 . . ?
H15D C150 H15F 109.5 . . ?
H15E C150 H15F 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C133 C135 H13D 109.5 . . ?
C133 C135 H13E 109.5 . . ?
C133 C135 H13F 109.5 . . ?
H13D C135 H13E 109.5 . . ?
H13D C135 H13F 109.5 . . ?
H13E C135 H13F 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C175 C177 H17D 109.5 . . ?
C175 C177 H17E 109.5 . . ?
C175 C177 H17F 109.5 . . ?
H17D C177 H17E 109.5 . . ?
H17D C177 H17F 109.5 . . ?
H17E C177 H17F 109.5 . . ?
C77 C78 H78 108.4 . . ?
C77 C78 C79 110.0(5) . . ?
C79 C78 H78 108.4 . . ?
C80 C78 C77 113.7(6) . . ?
C80 C78 H78 108.4 . . ?
C80 C78 C79 107.9(5) . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C13 C14 H14J 109.5 . . ?
C13 C14 H14K 109.5 . . ?
C13 C14 H14L 109.5 . . ?
H14J C14 H14K 109.5 . . ?
H14J C14 H14L 109.5 . . ?
H14K C14 H14L 109.5 . . ?
C124 C126 H12D 109.5 . . ?
C124 C126 H12E 109.5 . . ?
C124 C126 H12F 109.5 . . ?
H12D C126 H12E 109.5 . . ?
H12D C126 H12F 109.5 . . ?
H12E C126 H12F 109.5 . . ?
C132 C136 H136 108.8 . . ?
C132 C136 C137 109.5(5) . . ?
C137 C136 H136 108.8 . . ?
C138 C136 C132 112.2(6) . . ?
C138 C136 H136 108.8 . . ?
C138 C136 C137 108.7(6) . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C160 C162 H16A 109.5 . . ?
C160 C162 H16B 109.5 . . ?
C160 C162 H16C 109.5 . . ?
H16A C162 H16B 109.5 . . ?
H16A C162 H16C 109.5 . . ?
H16B C162 H16C 109.5 . . ?
H12G C122 H12H 109.5 . . ?
H12G C122 H12I 109.5 . . ?
H12H C122 H12I 109.5 . . ?
H12J C122 H12K 109.5 . . ?
H12J C122 H12L 109.5 . . ?
H12K C122 H12L 109.5 . . ?
C1A C122 H12G 109.5 . . ?
C1A C122 H12H 109.5 . . ?
C1A C122 H12I 109.5 . . ?
C121 C122 H12J 109.5 . . ?
C121 C122 H12K 109.5 . . ?
C121 C122 H12L 109.5 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C136 C137 H13G 109.5 . . ?
C136 C137 H13H 109.5 . . ?
C136 C137 H13I 109.5 . . ?
H13G C137 H13H 109.5 . . ?
H13G C137 H13I 109.5 . . ?
H13H C137 H13I 109.5 . . ?
C178 C179 H17G 109.5 . . ?
C178 C179 H17H 109.5 . . ?
C178 C179 H17I 109.5 . . ?
H17G C179 H17H 109.5 . . ?
H17G C179 H17I 109.5 . . ?
H17H C179 H17I 109.5 . . ?
C236 C237 H237 120.0 . . ?
C236 C237 C238 120.0 . . ?
C238 C237 H237 120.0 . . ?
C237 C236 H236 120.0 . . ?
C235 C236 C237 120.0 . . ?
C235 C236 H236 120.0 . . ?
C236 C235 H235 120.0 . . ?
C236 C235 C240 120.0 . . ?
C240 C235 H235 120.0 . . ?
C235 C240 H240 120.0 . . ?
C239 C240 C235 120.0 . . ?
C239 C240 H240 120.0 . . ?
C240 C239 H239 120.0 . . ?
C240 C239 C238 120.0 . . ?
C238 C239 H239 120.0 . . ?
C237 C238 H238 120.0 . . ?
C239 C238 C237 120.0 . . ?
C239 C238 H238 120.0 . . ?
C246 C245 H245 120.0 . . ?
C246 C245 C244 120.0 . . ?
C244 C245 H245 120.0 . . ?
C245 C246 H246 120.0 . . ?
C241 C246 C245 120.0 . . ?
C241 C246 H246 120.0 . . ?
C246 C241 H241 120.0 . . ?
C246 C241 C242 120.0 . . ?
C242 C241 H241 120.0 . . ?
C241 C242 H242 120.0 . . ?
C243 C242 C241 120.0 . . ?
C243 C242 H242 120.0 . . ?
C242 C243 H243 120.0 . . ?
C242 C243 C244 120.0 . . ?
C244 C243 H243 120.0 . . ?
C245 C244 H244 120.0 . . ?
C243 C244 C245 120.0 . . ?
C243 C244 H244 120.0 . . ?
C199 C200 H20J 109.5 . . ?
C199 C200 H20K 109.5 . . ?
C199 C200 H20L 109.5 . . ?
H20J C200 H20K 109.5 . . ?
H20J C200 H20L 109.5 . . ?
H20K C200 H20L 109.5 . . ?
C231 C232 H232 120.0 . . ?
C231 C232 C233 120.0 . . ?
C233 C232 H232 120.0 . . ?
C232 C231 H231 120.0 . . ?
C230 C231 C232 120.0 . . ?
C230 C231 H231 120.0 . . ?
C231 C230 H230 120.0 . . ?
C231 C230 C229 120.0 . . ?
C229 C230 H230 120.0 . . ?
C230 C229 H229 120.0 . . ?
C234 C229 C230 120.0 . . ?
C234 C229 H229 120.0 . . ?
C229 C234 H234 120.0 . . ?
C233 C234 C229 120.0 . . ?
C233 C234 H234 120.0 . . ?
C232 C233 H233 120.0 . . ?
C234 C233 C232 120.0 . . ?
C234 C233 H233 120.0 . . ?
C211 C212 H21A 109.5 . . ?
C211 C212 H21B 109.5 . . ?
C211 C212 H21C 109.5 . . ?
H21A C212 H21B 109.5 . . ?
H21A C212 H21C 109.5 . . ?
H21B C212 H21C 109.5 . . ?
C211 C213 H21D 109.5 . . ?
C211 C213 H21E 109.5 . . ?
C211 C213 H21F 109.5 . . ?
H21D C213 H21E 109.5 . . ?
H21D C213 H21F 109.5 . . ?
H21E C213 H21F 109.5 . . ?
C178 C180 H18G 109.5 . . ?
C178 C180 H18H 109.5 . . ?
C178 C180 H18I 109.5 . . ?
H18G C180 H18H 109.5 . . ?
H18G C180 H18I 109.5 . . ?
H18H C180 H18I 109.5 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C16 C18 H18J 109.5 . . ?
C16 C18 H18K 109.5 . . ?
C16 C18 H18L 109.5 . . ?
H18J C18 H18K 109.5 . . ?
H18J C18 H18L 109.5 . . ?
H18K C18 H18L 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C16 C17 H17J 109.5 . . ?
C16 C17 H17K 109.5 . . ?
C16 C17 H17L 109.5 . . ?
H17J C17 H17K 109.5 . . ?
H17J C17 H17L 109.5 . . ?
H17K C17 H17L 109.5 . . ?
C160 C161 H16D 109.5 . . ?
C160 C161 H16E 109.5 . . ?
C160 C161 H16F 109.5 . . ?
H16D C161 H16E 109.5 . . ?
H16D C161 H16F 109.5 . . ?
H16E C161 H16F 109.5 . . ?
C136 C138 H13J 109.5 . . ?
C136 C138 H13K 109.5 . . ?
C136 C138 H13L 109.5 . . ?
H13J C138 H13K 109.5 . . ?
H13J C138 H13L 109.5 . . ?
H13K C138 H13L 109.5 . . ?
C214 C216 H21G 109.5 . . ?
C214 C216 H21H 109.5 . . ?
C214 C216 H21I 109.5 . . ?
H21G C216 H21H 109.5 . . ?
H21G C216 H21I 109.5 . . ?
H21H C216 H21I 109.5 . . ?
C214 C215 H21J 109.5 . . ?
C214 C215 H21K 109.5 . . ?
C214 C215 H21L 109.5 . . ?
H21J C215 H21K 109.5 . . ?
H21J C215 H21L 109.5 . . ?
H21K C215 H21L 109.5 . . ?
C157 C159 H15G 109.5 . . ?
C157 C159 H15H 109.5 . . ?
C157 C159 H15I 109.5 . . ?
H15G C159 H15H 109.5 . . ?
H15G C159 H15I 109.5 . . ?
H15H C159 H15I 109.5 . . ?
C227 C226 H226 120.0 . . ?
C227 C226 C225 120.0 . . ?
C225 C226 H226 120.0 . . ?
C226 C227 H227 120.0 . . ?
C226 C227 C228 120.0 . . ?
C228 C227 H227 120.0 . . ?
C227 C228 H228 120.0 . . ?
C223 C228 C227 120.0 . . ?
C223 C228 H228 120.0 . . ?
C228 C223 H223 120.0 . . ?
C228 C223 C224 120.0 . . ?
C224 C223 H223 120.0 . . ?
C223 C224 H224 120.0 . . ?
C223 C224 C225 120.0 . . ?
C225 C224 H224 120.0 . . ?
C226 C225 H225 120.0 . . ?
C224 C225 C226 120.0 . . ?
C224 C225 H225 120.0 . . ?
C116 C1A H1A 110.0 . . ?
C116 C1A C1B 106.6(13) . . ?
C122 C1A C116 112.2(10) . . ?
C122 C1A H1A 110.0 . . ?
C122 C1A C1B 107.9(12) . . ?
C1B C1A H1A 110.0 . . ?
C1A C1B H1BA 109.5 . . ?
C1A C1B H1BB 109.5 . . ?
C1A C1B H1BC 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C97 C102 H102 107.3 . . ?
C104 C102 C97 114.5(5) . . ?
C104 C102 H102 107.3 . . ?
C103 C102 C97 110.7(5) . . ?
C103 C102 H102 107.3 . . ?
C103 C102 C104 109.3(5) . . ?
C102 C104 H10I 109.5 . . ?
C102 C104 H10J 109.5 . . ?
C102 C104 H10K 109.5 . . ?
H10I C104 H10J 109.5 . . ?
H10I C104 H10K 109.5 . . ?
H10J C104 H10K 109.5 . . ?
C102 C103 H10L 109.5 . . ?
C102 C103 H10M 109.5 . . ?
C102 C103 H10N 109.5 . . ?
H10L C103 H10M 109.5 . . ?
H10L C103 H10N 109.5 . . ?
H10M C103 H10N 109.5 . . ?
C116 C121 H121 109.9 . . ?
C116 C121 C1C 109.3(9) . . ?
C122 C121 C116 110.8(8) . . ?
C122 C121 H121 109.9 . . ?
C122 C121 C1C 107.0(9) . . ?
C1C C121 H121 109.9 . . ?
C121 C1C H1CA 109.5 . . ?
C121 C1C H1CB 109.5 . . ?
C121 C1C H1CC 109.5 . . ?
H1CA C1C H1CB 109.5 . . ?
H1CA C1C H1CC 109.5 . . ?
H1CB C1C H1CC 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge4 Cl4 2.2558(16) . ?
Ge4 O4 1.762(3) . ?
Ge2 Cl2 2.2614(16) . ?
Ge2 O2 1.756(3) . ?
Ge1 Cl1 2.2583(17) . ?
Ge1 O1 1.743(3) . ?
Ge3 Cl3 2.2538(17) . ?
Ge3 O3 1.763(3) . ?
O4 B10 1.374(6) . ?
O2 B4 1.362(6) . ?
O3 B7 1.360(6) . ?
O1 B1 1.370(6) . ?
N11 C84 1.401(6) . ?
N11 C59 1.425(6) . ?
N11 B6 1.451(6) . ?
N7 C55 1.477(5) . ?
N7 B5 1.434(6) . ?
N7 B4 1.443(6) . ?
N22 C181 1.422(6) . ?
N22 C166 1.425(6) . ?
N22 B11 1.441(6) . ?
N19 C163 1.485(5) . ?
N19 B11 1.421(6) . ?
N19 B10 1.432(6) . ?
N2 C1 1.477(5) . ?
N2 B3 1.429(6) . ?
N2 B1 1.431(6) . ?
N12 C60 1.416(6) . ?
N12 C96 1.429(6) . ?
N12 B6 1.431(6) . ?
N17 C151 1.429(6) . ?
N17 C114 1.408(6) . ?
N17 B9 1.445(6) . ?
N3 C43 1.438(5) . ?
N3 C5 1.411(6) . ?
N3 B2 1.442(6) . ?
N1 C2 1.477(5) . ?
N1 B2 1.438(6) . ?
N1 B1 1.442(6) . ?
N21 C169 1.437(6) . ?
N21 C165 1.399(6) . ?
N21 B11 1.452(6) . ?
N9 C72 1.425(6) . ?
N9 C57 1.412(6) . ?
N9 B5 1.454(6) . ?
N24 C193 1.432(6) . ?
N24 C168 1.408(6) . ?
N24 B12 1.458(6) . ?
N20 C164 1.476(6) . ?
N20 B10 1.439(6) . ?
N20 B12 1.431(6) . ?
N14 C110 1.474(6) . ?
N14 B9 1.443(6) . ?
N14 B7 1.432(6) . ?
N16 C127 1.428(6) . ?
N16 B8 1.463(6) . ?
N16 C111 1.410(6) . ?
N6 C7 1.427(6) . ?
N6 C4 1.403(6) . ?
N6 B3 1.455(6) . ?
N15 C112 1.408(6) . ?
N15 C115 1.412(4) . ?
N15 B8 1.443(6) . ?
N13 C109 1.470(6) . ?
N13 B8 1.430(6) . ?
N13 B7 1.453(6) . ?
N4 C31 1.426(5) . ?
N4 C6 1.408(6) . ?
N4 B2 1.440(6) . ?
N18 C113 1.407(6) . ?
N18 C139 1.431(6) . ?
N18 B9 1.432(6) . ?
N10 C61 1.435(6) . ?
N10 C58 1.400(6) . ?
N10 B5 1.452(6) . ?
N5 C19 1.428(6) . ?
N5 C3 1.402(6) . ?
N5 B3 1.451(6) . ?
N23 C205 1.438(6) . ?
N23 C167 1.401(6) . ?
N23 B12 1.433(6) . ?
N8 C56 1.480(5) . ?
N8 B6 1.430(6) . ?
N8 B4 1.436(6) . ?
C84 C89 1.413(6) . ?
C84 C85 1.402(6) . ?
C145 H145 1.0000 . ?
C145 C140 1.518(6) . ?
C145 C147 1.531(6) . ?
C145 C146 1.526(7) . ?
C60 H60 0.9500 . ?
C60 C59 1.328(7) . ?
C73 C72 1.407(6) . ?
C73 C74 1.389(7) . ?
C73 C81 1.513(7) . ?
C169 C174 1.397(7) . ?
C169 C170 1.392(7) . ?
C96 C101 1.393(7) . ?
C96 C97 1.408(7) . ?
C151 C156 1.397(7) . ?
C151 C152 1.393(7) . ?
C181 C182 1.401(6) . ?
C181 C186 1.405(6) . ?
C43 C44 1.402(6) . ?
C43 C48 1.393(6) . ?
C44 C45 1.394(6) . ?
C44 C49 1.506(6) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.515(6) . ?
C166 H166 0.9500 . ?
C166 C165 1.333(7) . ?
C59 H59 0.9500 . ?
C187 H187 1.0000 . ?
C187 C182 1.509(6) . ?
C187 C188 1.524(6) . ?
C187 C189 1.524(7) . ?
C48 C47 1.398(7) . ?
C48 C52 1.516(6) . ?
C61 C62 1.385(7) . ?
C61 C108 1.370(7) . ?
C19 C20 1.398(6) . ?
C19 C24 1.398(7) . ?
C72 C77 1.403(7) . ?
C32 C31 1.384(7) . ?
C32 C37 1.515(7) . ?
C32 C33 1.400(7) . ?
C193 C194 1.402(7) . ?
C193 C198 1.392(7) . ?
C164 H16G 0.9900 . ?
C164 H16H 0.9900 . ?
C164 C163 1.510(6) . ?
C174 C173 1.393(7) . ?
C174 C178 1.513(7) . ?
C170 C175 1.521(7) . ?
C170 C171 1.400(7) . ?
C90 H90 1.0000 . ?
C90 C89 1.506(6) . ?
C90 C91 1.526(6) . ?
C90 C92 1.525(6) . ?
C163 H16I 0.9900 . ?
C163 H16J 0.9900 . ?
C62 C63 1.400(7) . ?
C62 C66 1.513(7) . ?
C156 C160 1.505(8) . ?
C156 C155 1.388(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.513(6) . ?
C89 C88 1.386(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.321(6) . ?
C182 C183 1.396(6) . ?
C7 C12 1.399(7) . ?
C7 C8 1.394(7) . ?
C188 H18A 0.9800 . ?
C188 H18B 0.9800 . ?
C188 H18C 0.9800 . ?
C140 C139 1.385(6) . ?
C140 C141 1.393(7) . ?
C186 C185 1.387(7) . ?
C186 C190 1.520(6) . ?
C1 H1B 0.9900 . ?
C1 H1C 0.9900 . ?
C31 C36 1.415(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.331(7) . ?
C85 C86 1.387(7) . ?
C85 C93 1.527(6) . ?
C194 C195 1.392(7) . ?
C194 C199 1.506(7) . ?
C45 H45 0.9500 . ?
C45 C46 1.371(7) . ?
C6 H6 0.9500 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C110 C109 1.514(6) . ?
C57 H57 0.9500 . ?
C57 C58 1.336(7) . ?
C86 H86 0.9500 . ?
C86 C87 1.381(7) . ?
C74 H74 0.9500 . ?
C74 C75 1.375(8) . ?
C101 C105 1.511(7) . ?
C101 C100 1.383(7) . ?
C205 C210 1.384(8) . ?
C205 C206 1.408(7) . ?
C112 H112 0.9500 . ?
C112 C111 1.317(8) . ?
C109 H10A 0.9900 . ?
C109 H10B 0.9900 . ?
C165 H165 0.9500 . ?
C36 C40 1.514(7) . ?
C36 C35 1.389(7) . ?
C49 H49 1.0000 . ?
C49 C51 1.524(6) . ?
C49 C50 1.519(6) . ?
C185 H185 0.9500 . ?
C185 C184 1.393(7) . ?
C4 H4 0.9500 . ?
C12 C11 1.393(7) . ?
C12 C16 1.527(7) . ?
C147 H14A 0.9800 . ?
C147 H14B 0.9800 . ?
C147 H14C 0.9800 . ?
C190 H190 1.0000 . ?
C190 C192 1.541(7) . ?
C190 C191 1.517(7) . ?
C63 H63 0.9500 . ?
C63 C64 1.373(7) . ?
C88 H88 0.9500 . ?
C88 C87 1.371(7) . ?
C75 H75 0.9500 . ?
C75 C76 1.376(8) . ?
C183 H183 0.9500 . ?
C183 C184 1.374(7) . ?
C114 H114 0.9500 . ?
C114 C113 1.327(7) . ?
C113 H113 0.9500 . ?
C175 H175 1.0000 . ?
C175 C176 1.514(8) . ?
C175 C177 1.504(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.388(8) . ?
C9 C8 1.388(7) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C127 C128 1.403(6) . ?
C127 C132 1.407(7) . ?
C47 H47 0.9500 . ?
C47 C46 1.372(7) . ?
C139 C144 1.408(6) . ?
C81 H81 1.0000 . ?
C81 C83 1.526(7) . ?
C81 C82 1.526(7) . ?
C93 H93 1.0000 . ?
C93 C95 1.514(8) . ?
C93 C94 1.510(8) . ?
C37 H37 1.0000 . ?
C37 C38 1.500(8) . ?
C37 C39 1.527(9) . ?
C189 H18D 0.9800 . ?
C189 H18E 0.9800 . ?
C189 H18F 0.9800 . ?
C184 H184 0.9500 . ?
C146 H14D 0.9800 . ?
C146 H14E 0.9800 . ?
C146 H14F 0.9800 . ?
C141 H141 0.9500 . ?
C141 C142 1.380(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.377(8) . ?
C11 H11 0.9500 . ?
C11 C10 1.367(8) . ?
C10 H10 0.9500 . ?
C52 H52 1.0000 . ?
C52 C54 1.516(7) . ?
C52 C53 1.516(7) . ?
C195 H195 0.9500 . ?
C195 C196 1.371(8) . ?
C173 H173 0.9500 . ?
C173 C172 1.384(8) . ?
C143 H143 0.9500 . ?
C143 C144 1.396(7) . ?
C143 C142 1.359(7) . ?
C65 H65 0.9500 . ?
C65 C108 1.401(8) . ?
C65 C64 1.365(8) . ?
C144 C148 1.508(7) . ?
C108 C69 1.527(8) . ?
C97 C98 1.387(7) . ?
C97 C102 1.507(7) . ?
C20 C21 1.397(7) . ?
C20 C25 1.547(7) . ?
C46 H46 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.350(8) . ?
C8 C13 1.510(7) . ?
C40 H40 1.0000 . ?
C40 C42 1.518(7) . ?
C40 C41 1.516(7) . ?
C198 C197 1.403(7) . ?
C198 C202 1.536(7) . ?
C167 H167 0.9500 . ?
C167 C168 1.330(7) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C64 H64 0.9500 . ?
C171 H171 0.9500 . ?
C171 C172 1.363(8) . ?
C152 C153 1.385(8) . ?
C152 C157 1.526(8) . ?
C148 H148 1.0000 . ?
C148 C149 1.506(8) . ?
C148 C150 1.529(8) . ?
C199 H199 1.0000 . ?
C199 C201 1.536(8) . ?
C199 C200 1.516(8) . ?
C210 C214 1.525(8) . ?
C210 C209 1.395(7) . ?
C24 C23 1.392(7) . ?
C24 C28 1.512(7) . ?
C168 H168 0.9500 . ?
C206 C207 1.401(7) . ?
C206 C211 1.527(8) . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C128 C133 1.511(7) . ?
C128 C129 1.386(7) . ?
C58 H58 0.9500 . ?
C124 H124 1.0000 . ?
C124 C120 1.527(5) . ?
C124 C125 1.526(8) . ?
C124 C126 1.506(8) . ?
C76 H76 0.9500 . ?
C76 C77 1.407(8) . ?
C23 H23 0.9500 . ?
C23 C22 1.373(8) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C35 H35 0.9500 . ?
C35 C34 1.358(8) . ?
C196 H196 0.9500 . ?
C196 C197 1.367(8) . ?
C142 H142 0.9500 . ?
C117 H117 0.9500 . ?
C117 C116 1.3900 . ?
C117 C118 1.3900 . ?
C116 C115 1.3900 . ?
C116 C1A 1.539(14) . ?
C116 C121 1.563(11) . ?
C115 C120 1.3900 . ?
C120 C119 1.3900 . ?
C119 H119 0.9500 . ?
C119 C118 1.3900 . ?
C118 H118 0.9500 . ?
C172 H172 0.9500 . ?
C160 H160 1.0000 . ?
C160 C162 1.500(8) . ?
C160 C161 1.516(8) . ?
C192 H19A 0.9800 . ?
C192 H19B 0.9800 . ?
C192 H19C 0.9800 . ?
C178 H178 1.0000 . ?
C178 C179 1.496(8) . ?
C178 C180 1.513(8) . ?
C77 C78 1.528(8) . ?
C87 H87 0.9500 . ?
C197 H197 0.9500 . ?
C22 H22 0.9500 . ?
C16 H16 1.0000 . ?
C16 C18 1.490(9) . ?
C16 C17 1.524(9) . ?
C105 H105 1.0000 . ?
C105 C106 1.528(7) . ?
C105 C107 1.525(8) . ?
C34 H34 0.9500 . ?
C111 H111 0.9500 . ?
C66 H66 1.0000 . ?
C66 C68 1.539(7) . ?
C66 C67 1.516(8) . ?
C133 H133 1.0000 . ?
C133 C134 1.526(7) . ?
C133 C135 1.522(8) . ?
C191 H19D 0.9800 . ?
C191 H19E 0.9800 . ?
C191 H19F 0.9800 . ?
C155 H155 0.9500 . ?
C155 C154 1.351(9) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C132 C131 1.403(8) . ?
C132 C136 1.525(8) . ?
C201 H20A 0.9800 . ?
C201 H20B 0.9800 . ?
C201 H20C 0.9800 . ?
C106 H10C 0.9800 . ?
C106 H10D 0.9800 . ?
C106 H10E 0.9800 . ?
C153 H153 0.9500 . ?
C153 C154 1.387(9) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C28 H28 1.0000 . ?
C28 C29 1.510(8) . ?
C28 C30 1.522(8) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C98 H98 0.9500 . ?
C98 C99 1.357(9) . ?
C214 H214 1.0000 . ?
C214 C216 1.490(10) . ?
C214 C215 1.528(9) . ?
C207 H207 0.9500 . ?
C207 C208 1.357(9) . ?
C129 H129 0.9500 . ?
C129 C130 1.383(8) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C131 H131 0.9500 . ?
C131 C130 1.369(8) . ?
C209 H209 0.9500 . ?
C209 C208 1.376(9) . ?
C130 H130 0.9500 . ?
C202 H202 1.0000 . ?
C202 C203 1.525(8) . ?
C202 C204 1.517(8) . ?
C107 H10F 0.9800 . ?
C107 H10G 0.9800 . ?
C107 H10H 0.9800 . ?
C25 H25 1.0000 . ?
C25 C26 1.534(8) . ?
C25 C27 1.510(8) . ?
C69 H69 1.0000 . ?
C69 C70 1.515(11) . ?
C69 C71 1.529(10) . ?
C157 H157 1.0000 . ?
C157 C158 1.493(8) . ?
C157 C159 1.495(10) . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C100 H100 0.9500 . ?
C100 C99 1.382(9) . ?
C13 H13 1.0000 . ?
C13 C15 1.511(9) . ?
C13 C14 1.520(8) . ?
C154 H154 0.9500 . ?
C203 H20D 0.9800 . ?
C203 H20E 0.9800 . ?
C203 H20F 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C211 H211 1.0000 . ?
C211 C212 1.489(10) . ?
C211 C213 1.514(9) . ?
C15 H15J 0.9800 . ?
C15 H15K 0.9800 . ?
C15 H15L 0.9800 . ?
C208 H208 0.9500 . ?
C158 H15A 0.9800 . ?
C158 H15B 0.9800 . ?
C158 H15C 0.9800 . ?
C125 H12A 0.9800 . ?
C125 H12B 0.9800 . ?
C125 H12C 0.9800 . ?
C134 H13A 0.9800 . ?
C134 H13B 0.9800 . ?
C134 H13C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C149 H14G 0.9800 . ?
C149 H14H 0.9800 . ?
C149 H14I 0.9800 . ?
C99 H99 0.9500 . ?
C176 H17A 0.9800 . ?
C176 H17B 0.9800 . ?
C176 H17C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C220 H220 0.9500 . ?
C220 C221 1.3900 . ?
C220 C219 1.3900 . ?
C221 H221 0.9500 . ?
C221 C222 1.3900 . ?
C222 H222 0.9500 . ?
C222 C217 1.3900 . ?
C217 H217 0.9500 . ?
C217 C218 1.3900 . ?
C218 H218 0.9500 . ?
C218 C219 1.3900 . ?
C219 H219 0.9500 . ?
C204 H20G 0.9800 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C150 H15D 0.9800 . ?
C150 H15E 0.9800 . ?
C150 H15F 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C135 H13D 0.9800 . ?
C135 H13E 0.9800 . ?
C135 H13F 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C177 H17D 0.9800 . ?
C177 H17E 0.9800 . ?
C177 H17F 0.9800 . ?
C78 H78 1.0000 . ?
C78 C79 1.533(9) . ?
C78 C80 1.502(9) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C14 H14J 0.9800 . ?
C14 H14K 0.9800 . ?
C14 H14L 0.9800 . ?
C126 H12D 0.9800 . ?
C126 H12E 0.9800 . ?
C126 H12F 0.9800 . ?
C136 H136 1.0000 . ?
C136 C137 1.550(11) . ?
C136 C138 1.503(10) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C162 H16A 0.9800 . ?
C162 H16B 0.9800 . ?
C162 H16C 0.9800 . ?
C122 H12G 0.9800 . ?
C122 H12H 0.9800 . ?
C122 H12I 0.9800 . ?
C122 H12J 0.9800 . ?
C122 H12K 0.9800 . ?
C122 H12L 0.9800 . ?
C122 C1A 1.498(15) . ?
C122 C121 1.501(12) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C137 H13G 0.9800 . ?
C137 H13H 0.9800 . ?
C137 H13I 0.9800 . ?
C179 H17G 0.9800 . ?
C179 H17H 0.9800 . ?
C179 H17I 0.9800 . ?
C237 H237 0.9500 . ?
C237 C236 1.3900 . ?
C237 C238 1.3900 . ?
C236 H236 0.9500 . ?
C236 C235 1.3900 . ?
C235 H235 0.9500 . ?
C235 C240 1.3900 . ?
C240 H240 0.9500 . ?
C240 C239 1.3900 . ?
C239 H239 0.9500 . ?
C239 C238 1.3900 . ?
C238 H238 0.9500 . ?
C245 H245 0.9500 . ?
C245 C246 1.3900 . ?
C245 C244 1.3900 . ?
C246 H246 0.9500 . ?
C246 C241 1.3900 . ?
C241 H241 0.9500 . ?
C241 C242 1.3900 . ?
C242 H242 0.9500 . ?
C242 C243 1.3900 . ?
C243 H243 0.9500 . ?
C243 C244 1.3900 . ?
C244 H244 0.9500 . ?
C200 H20J 0.9800 . ?
C200 H20K 0.9800 . ?
C200 H20L 0.9800 . ?
C232 H232 0.9500 . ?
C232 C231 1.3900 . ?
C232 C233 1.3900 . ?
C231 H231 0.9500 . ?
C231 C230 1.3900 . ?
C230 H230 0.9500 . ?
C230 C229 1.3900 . ?
C229 H229 0.9500 . ?
C229 C234 1.3900 . ?
C234 H234 0.9500 . ?
C234 C233 1.3900 . ?
C233 H233 0.9500 . ?
C212 H21A 0.9800 . ?
C212 H21B 0.9800 . ?
C212 H21C 0.9800 . ?
C213 H21D 0.9800 . ?
C213 H21E 0.9800 . ?
C213 H21F 0.9800 . ?
C180 H18G 0.9800 . ?
C180 H18H 0.9800 . ?
C180 H18I 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C18 H18J 0.9800 . ?
C18 H18K 0.9800 . ?
C18 H18L 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C17 H17J 0.9800 . ?
C17 H17K 0.9800 . ?
C17 H17L 0.9800 . ?
C161 H16D 0.9800 . ?
C161 H16E 0.9800 . ?
C161 H16F 0.9800 . ?
C138 H13J 0.9800 . ?
C138 H13K 0.9800 . ?
C138 H13L 0.9800 . ?
C216 H21G 0.9800 . ?
C216 H21H 0.9800 . ?
C216 H21I 0.9800 . ?
C215 H21J 0.9800 . ?
C215 H21K 0.9800 . ?
C215 H21L 0.9800 . ?
C159 H15G 0.9800 . ?
C159 H15H 0.9800 . ?
C159 H15I 0.9800 . ?
C226 H226 0.9500 . ?
C226 C227 1.3900 . ?
C226 C225 1.3900 . ?
C227 H227 0.9500 . ?
C227 C228 1.3900 . ?
C228 H228 0.9500 . ?
C228 C223 1.3900 . ?
C223 H223 0.9500 . ?
C223 C224 1.3900 . ?
C224 H224 0.9500 . ?
C224 C225 1.3900 . ?
C225 H225 0.9500 . ?
C1A H1A 1.0000 . ?
C1A C1B 1.571(18) . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
C102 H102 1.0000 . ?
C102 C104 1.501(8) . ?
C102 C103 1.498(8) . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C104 H10K 0.9800 . ?
C103 H10L 0.9800 . ?
C103 H10M 0.9800 . ?
C103 H10N 0.9800 . ?
C121 H121 1.0000 . ?
C121 C1C 1.574(14) . ?
C1C H1CA 0.9800 . ?
C1C H1CB 0.9800 . ?
C1C H1CC 0.9800 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ge4 O4 B10 N19 110.7(4) . . . . ?
Ge4 O4 B10 N20 -70.0(6) . . . . ?
Ge2 O2 B4 N7 -65.4(6) . . . . ?
Ge2 O2 B4 N8 118.6(4) . . . . ?
Ge1 O1 B1 N2 70.2(6) . . . . ?
Ge1 O1 B1 N1 -113.3(5) . . . . ?
Ge3 O3 B7 N14 -118.9(4) . . . . ?
Ge3 O3 B7 N13 62.9(6) . . . . ?
Cl2 Ge2 O2 B4 2.2(4) . . . . ?
Cl4 Ge4 O4 B10 4.5(4) . . . . ?
Cl1 Ge1 O1 B1 -5.1(4) . . . . ?
Cl3 Ge3 O3 B7 0.5(4) . . . . ?
N11 C84 C89 C90 -4.3(6) . . . . ?
N11 C84 C89 C88 176.1(4) . . . . ?
N11 C84 C85 C86 -178.0(4) . . . . ?
N11 C84 C85 C93 -2.1(7) . . . . ?
N7 C55 C56 N8 -27.0(5) . . . . ?
N22 C181 C182 C187 -4.6(6) . . . . ?
N22 C181 C182 C183 175.7(4) . . . . ?
N22 C181 C186 C185 -177.6(4) . . . . ?
N22 C181 C186 C190 -2.0(6) . . . . ?
N22 C166 C165 N21 0.1(5) . . . . ?
N12 C60 C59 N11 -0.3(5) . . . . ?
N12 C96 C101 C105 0.4(7) . . . . ?
N12 C96 C101 C100 -179.4(5) . . . . ?
N12 C96 C97 C98 179.9(4) . . . . ?
N12 C96 C97 C102 1.6(6) . . . . ?
N17 C151 C156 C160 -3.4(7) . . . . ?
N17 C151 C156 C155 178.0(4) . . . . ?
N17 C151 C152 C153 -177.8(5) . . . . ?
N17 C151 C152 C157 1.9(7) . . . . ?
N17 C114 C113 N18 -0.2(6) . . . . ?
N3 C43 C44 C45 -174.7(4) . . . . ?
N3 C43 C44 C49 5.7(6) . . . . ?
N3 C43 C48 C47 176.6(4) . . . . ?
N3 C43 C48 C52 1.9(6) . . . . ?
N3 C5 C6 N4 1.3(6) . . . . ?
N1 C2 C1 N2 27.3(5) . . . . ?
N21 C169 C174 C173 174.8(4) . . . . ?
N21 C169 C174 C178 -5.4(6) . . . . ?
N21 C169 C170 C175 5.3(6) . . . . ?
N21 C169 C170 C171 -175.8(4) . . . . ?
N9 C72 C77 C76 173.2(5) . . . . ?
N9 C72 C77 C78 -1.5(7) . . . . ?
N9 C57 C58 N10 -0.1(6) . . . . ?
N24 C193 C194 C195 -173.3(4) . . . . ?
N24 C193 C194 C199 5.1(7) . . . . ?
N24 C193 C198 C197 173.5(4) . . . . ?
N24 C193 C198 C202 -1.5(7) . . . . ?
N20 C164 C163 N19 -29.3(5) . . . . ?
N14 C110 C109 N13 30.6(5) . . . . ?
N16 C127 C128 C133 -2.9(7) . . . . ?
N16 C127 C128 C129 173.8(4) . . . . ?
N16 C127 C132 C131 -173.8(5) . . . . ?
N16 C127 C132 C136 0.4(8) . . . . ?
N6 C7 C12 C11 179.4(4) . . . . ?
N6 C7 C12 C16 -0.3(7) . . . . ?
N6 C7 C8 C9 180.0(4) . . . . ?
N6 C7 C8 C13 1.7(7) . . . . ?
N15 C112 C111 N16 -1.1(6) . . . . ?
N15 C115 C120 C124 3.7(4) . . . . ?
N15 C115 C120 C119 -178.6(3) . . . . ?
N4 C31 C36 C40 -4.2(6) . . . . ?
N4 C31 C36 C35 178.4(4) . . . . ?
N18 C139 C144 C143 177.9(4) . . . . ?
N18 C139 C144 C148 1.5(7) . . . . ?
N10 C61 C62 C63 -179.4(4) . . . . ?
N10 C61 C62 C66 -1.1(7) . . . . ?
N10 C61 C108 C65 179.2(4) . . . . ?
N10 C61 C108 C69 0.0(7) . . . . ?
N5 C19 C20 C21 -171.5(4) . . . . ?
N5 C19 C20 C25 3.2(7) . . . . ?
N5 C19 C24 C23 171.0(4) . . . . ?
N5 C19 C24 C28 -7.7(6) . . . . ?
N5 C3 C4 N6 0.5(6) . . . . ?
N23 C205 C210 C214 -1.7(7) . . . . ?
N23 C205 C210 C209 178.9(5) . . . . ?
N23 C205 C206 C207 -179.4(5) . . . . ?
N23 C205 C206 C211 -0.2(7) . . . . ?
N23 C167 C168 N24 0.8(6) . . . . ?
C84 N11 C59 C60 -170.8(4) . . . . ?
C84 N11 B6 N12 168.8(4) . . . . ?
C84 N11 B6 N8 -11.9(8) . . . . ?
C84 C89 C88 C87 3.0(7) . . . . ?
C84 C85 C86 C87 1.1(8) . . . . ?
C84 C85 C93 C95 146.1(5) . . . . ?
C84 C85 C93 C94 -89.3(6) . . . . ?
C145 C140 C139 N18 4.5(7) . . . . ?
C145 C140 C139 C144 -177.5(4) . . . . ?
C145 C140 C141 C142 177.7(5) . . . . ?
C60 N12 C96 C101 93.7(5) . . . . ?
C60 N12 C96 C97 -85.6(5) . . . . ?
C60 N12 B6 N11 1.1(5) . . . . ?
C60 N12 B6 N8 -178.2(4) . . . . ?
C73 C72 C77 C76 -1.9(7) . . . . ?
C73 C72 C77 C78 -176.6(5) . . . . ?
C73 C74 C75 C76 -1.2(8) . . . . ?
C169 N21 C165 C166 170.2(4) . . . . ?
C169 N21 B11 N22 -168.9(4) . . . . ?
C169 N21 B11 N19 11.7(7) . . . . ?
C169 C174 C173 C172 1.0(7) . . . . ?
C169 C174 C178 C179 -114.5(6) . . . . ?
C169 C174 C178 C180 121.4(6) . . . . ?
C169 C170 C175 C176 -132.5(6) . . . . ?
C169 C170 C175 C177 102.8(6) . . . . ?
C169 C170 C171 C172 1.0(7) . . . . ?
C96 N12 C60 C59 167.5(4) . . . . ?
C96 N12 B6 N11 -165.0(4) . . . . ?
C96 N12 B6 N8 15.7(8) . . . . ?
C96 C101 C105 C106 -122.3(5) . . . . ?
C96 C101 C105 C107 114.4(6) . . . . ?
C96 C101 C100 C99 0.2(9) . . . . ?
C96 C97 C98 C99 -1.1(8) . . . . ?
C96 C97 C102 C104 -139.5(6) . . . . ?
C96 C97 C102 C103 96.5(7) . . . . ?
C151 N17 C114 C113 -168.9(4) . . . . ?
C151 N17 B9 N14 -12.8(8) . . . . ?
C151 N17 B9 N18 167.5(4) . . . . ?
C151 C156 C160 C162 -95.1(6) . . . . ?
C151 C156 C160 C161 138.9(6) . . . . ?
C151 C156 C155 C154 -0.3(8) . . . . ?
C151 C152 C153 C154 -0.2(8) . . . . ?
C151 C152 C157 C158 129.8(6) . . . . ?
C151 C152 C157 C159 -105.6(7) . . . . ?
C181 N22 C166 C165 -169.2(4) . . . . ?
C181 N22 B11 N19 -13.9(8) . . . . ?
C181 N22 B11 N21 166.8(4) . . . . ?
C181 C182 C183 C184 2.1(7) . . . . ?
C181 C186 C185 C184 1.8(8) . . . . ?
C181 C186 C190 C192 152.3(5) . . . . ?
C181 C186 C190 C191 -83.8(6) . . . . ?
C43 N3 C5 C6 169.6(4) . . . . ?
C43 N3 B2 N1 11.4(8) . . . . ?
C43 N3 B2 N4 -168.1(4) . . . . ?
C43 C44 C45 C46 -2.0(7) . . . . ?
C43 C44 C49 C51 -109.1(5) . . . . ?
C43 C44 C49 C50 127.3(5) . . . . ?
C43 C48 C47 C46 -2.0(7) . . . . ?
C43 C48 C52 C54 -149.7(5) . . . . ?
C43 C48 C52 C53 85.7(6) . . . . ?
C44 C43 C48 C47 -0.6(7) . . . . ?
C44 C43 C48 C52 -175.3(4) . . . . ?
C44 C45 C46 C47 -0.5(8) . . . . ?
C55 N7 B5 N9 170.0(4) . . . . ?
C55 N7 B5 N10 -4.4(7) . . . . ?
C55 N7 B4 O2 170.8(4) . . . . ?
C55 N7 B4 N8 -12.8(5) . . . . ?
C166 N22 C181 C182 -75.0(5) . . . . ?
C166 N22 C181 C186 102.9(5) . . . . ?
C166 N22 B11 N19 178.3(4) . . . . ?
C166 N22 B11 N21 -1.0(4) . . . . ?
C59 N11 C84 C89 -74.6(5) . . . . ?
C59 N11 C84 C85 104.1(5) . . . . ?
C59 N11 B6 N12 -1.2(5) . . . . ?
C59 N11 B6 N8 178.1(4) . . . . ?
C187 C182 C183 C184 -177.6(5) . . . . ?
C48 C43 C44 C45 2.5(7) . . . . ?
C48 C43 C44 C49 -177.0(4) . . . . ?
C48 C47 C46 C45 2.6(8) . . . . ?
C61 N10 C58 C57 167.8(4) . . . . ?
C61 N10 B5 N7 10.0(8) . . . . ?
C61 N10 B5 N9 -165.5(4) . . . . ?
C61 C62 C63 C64 0.6(7) . . . . ?
C61 C62 C66 C68 -127.1(5) . . . . ?
C61 C62 C66 C67 110.8(6) . . . . ?
C61 C108 C69 C70 -128.0(6) . . . . ?
C61 C108 C69 C71 106.3(6) . . . . ?
C19 N5 C3 C4 176.5(4) . . . . ?
C19 N5 B3 N2 0.0(9) . . . . ?
C19 N5 B3 N6 -176.4(4) . . . . ?
C19 C20 C21 C22 0.2(8) . . . . ?
C19 C20 C25 C26 -102.4(6) . . . . ?
C19 C20 C25 C27 135.9(5) . . . . ?
C19 C24 C23 C22 0.9(7) . . . . ?
C19 C24 C28 C29 94.8(6) . . . . ?
C19 C24 C28 C30 -139.5(5) . . . . ?
C72 N9 C57 C58 180.0(4) . . . . ?
C72 N9 B5 N7 5.1(9) . . . . ?
C72 N9 B5 N10 -179.6(5) . . . . ?
C72 C73 C74 C75 -0.6(7) . . . . ?
C72 C73 C81 C83 -89.8(5) . . . . ?
C72 C73 C81 C82 145.1(5) . . . . ?
C72 C77 C78 C79 104.0(6) . . . . ?
C72 C77 C78 C80 -134.9(6) . . . . ?
C32 C31 C36 C40 177.4(4) . . . . ?
C32 C31 C36 C35 0.0(6) . . . . ?
C32 C33 C34 C35 -0.3(8) . . . . ?
C193 N24 C168 C167 -177.4(5) . . . . ?
C193 N24 B12 N20 -1.0(9) . . . . ?
C193 N24 B12 N23 176.3(5) . . . . ?
C193 C194 C195 C196 -0.1(7) . . . . ?
C193 C194 C199 C201 -83.5(6) . . . . ?
C193 C194 C199 C200 151.7(5) . . . . ?
C193 C198 C197 C196 -0.5(8) . . . . ?
C193 C198 C202 C203 103.2(6) . . . . ?
C193 C198 C202 C204 -136.7(5) . . . . ?
C164 N20 B10 O4 167.6(4) . . . . ?
C164 N20 B10 N19 -13.0(5) . . . . ?
C164 N20 B12 N24 178.6(4) . . . . ?
C164 N20 B12 N23 1.8(7) . . . . ?
C174 C169 C170 C175 -177.6(4) . . . . ?
C174 C169 C170 C171 1.4(7) . . . . ?
C174 C173 C172 C171 1.3(8) . . . . ?
C170 C169 C174 C173 -2.3(7) . . . . ?
C170 C169 C174 C178 177.5(4) . . . . ?
C170 C171 C172 C173 -2.3(8) . . . . ?
C90 C89 C88 C87 -176.7(5) . . . . ?
C163 N19 B11 N22 164.9(4) . . . . ?
C163 N19 B11 N21 -15.9(7) . . . . ?
C163 N19 B10 O4 173.8(4) . . . . ?
C163 N19 B10 N20 -5.6(5) . . . . ?
C62 C61 C108 C65 1.0(7) . . . . ?
C62 C61 C108 C69 -178.3(5) . . . . ?
C62 C63 C64 C65 0.1(8) . . . . ?
C156 C151 C152 C153 1.3(7) . . . . ?
C156 C151 C152 C157 -179.0(5) . . . . ?
C156 C155 C154 C153 1.4(9) . . . . ?
C2 N1 B2 N3 -169.5(4) . . . . ?
C2 N1 B2 N4 9.9(7) . . . . ?
C2 N1 B1 O1 -170.0(4) . . . . ?
C2 N1 B1 N2 6.9(5) . . . . ?
C89 C84 C85 C86 0.7(7) . . . . ?
C89 C84 C85 C93 176.6(4) . . . . ?
C89 C88 C87 C86 -1.3(8) . . . . ?
C5 N3 C43 C44 75.4(5) . . . . ?
C5 N3 C43 C48 -101.9(5) . . . . ?
C5 N3 B2 N1 -178.7(4) . . . . ?
C5 N3 B2 N4 1.7(5) . . . . ?
C182 C181 C186 C185 0.3(7) . . . . ?
C182 C181 C186 C190 175.8(4) . . . . ?
C182 C183 C184 C185 -0.2(8) . . . . ?
C7 N6 C4 C3 -173.1(4) . . . . ?
C7 N6 B3 N2 -4.9(8) . . . . ?
C7 N6 B3 N5 171.7(5) . . . . ?
C7 C12 C11 C10 1.9(7) . . . . ?
C7 C12 C16 C18 125.2(6) . . . . ?
C7 C12 C16 C17 -109.4(6) . . . . ?
C7 C8 C13 C15 -106.4(6) . . . . ?
C7 C8 C13 C14 130.8(5) . . . . ?
C188 C187 C182 C181 109.1(5) . . . . ?
C188 C187 C182 C183 -71.2(5) . . . . ?
C140 C139 C144 C143 -0.1(7) . . . . ?
C140 C139 C144 C148 -176.6(5) . . . . ?
C140 C141 C142 C143 -0.3(9) . . . . ?
C186 C181 C182 C187 177.5(4) . . . . ?
C186 C181 C182 C183 -2.2(7) . . . . ?
C186 C185 C184 C183 -1.8(8) . . . . ?
C1 N2 B3 N6 7.4(7) . . . . ?
C1 N2 B3 N5 -168.2(5) . . . . ?
C1 N2 B1 O1 -172.8(5) . . . . ?
C1 N2 B1 N1 10.4(5) . . . . ?
C31 N4 C6 C5 -166.1(4) . . . . ?
C31 N4 B2 N3 163.1(4) . . . . ?
C31 N4 B2 N1 -16.4(8) . . . . ?
C31 C32 C37 C38 103.4(6) . . . . ?
C31 C32 C37 C39 -135.0(5) . . . . ?
C31 C32 C33 C34 -0.4(7) . . . . ?
C31 C36 C40 C42 125.7(5) . . . . ?
C31 C36 C40 C41 -110.5(5) . . . . ?
C31 C36 C35 C34 -0.6(7) . . . . ?
C3 N5 C19 C20 65.6(6) . . . . ?
C3 N5 C19 C24 -107.5(5) . . . . ?
C3 N5 B3 N2 174.7(5) . . . . ?
C3 N5 B3 N6 -1.6(5) . . . . ?
C85 C84 C89 C90 177.0(4) . . . . ?
C85 C84 C89 C88 -2.6(6) . . . . ?
C85 C86 C87 C88 -0.8(8) . . . . ?
C194 C193 C198 C197 -1.4(7) . . . . ?
C194 C193 C198 C202 -176.5(5) . . . . ?
C194 C195 C196 C197 -1.8(8) . . . . ?
C45 C44 C49 C51 71.4(5) . . . . ?
C45 C44 C49 C50 -52.3(6) . . . . ?
C6 N4 C31 C32 -100.5(5) . . . . ?
C6 N4 C31 C36 81.1(5) . . . . ?
C6 N4 B2 N3 -1.0(5) . . . . ?
C6 N4 B2 N1 179.5(4) . . . . ?
C56 N8 B6 N11 165.8(4) . . . . ?
C56 N8 B6 N12 -15.0(7) . . . . ?
C56 N8 B4 O2 172.1(4) . . . . ?
C56 N8 B4 N7 -4.5(5) . . . . ?
C110 N14 B9 N17 18.2(7) . . . . ?
C110 N14 B9 N18 -162.1(4) . . . . ?
C110 N14 B7 O3 -173.6(4) . . . . ?
C110 N14 B7 N13 4.8(5) . . . . ?
C57 N9 C72 C73 112.7(5) . . . . ?
C57 N9 C72 C77 -62.4(6) . . . . ?
C57 N9 B5 N7 -173.8(5) . . . . ?
C57 N9 B5 N10 1.5(5) . . . . ?
C86 C85 C93 C95 -38.1(7) . . . . ?
C86 C85 C93 C94 86.5(6) . . . . ?
C74 C73 C72 N9 -173.0(4) . . . . ?
C74 C73 C72 C77 2.2(7) . . . . ?
C74 C73 C81 C83 87.3(6) . . . . ?
C74 C73 C81 C82 -37.8(6) . . . . ?
C74 C75 C76 C77 1.4(9) . . . . ?
C101 C96 C97 C98 0.5(7) . . . . ?
C101 C96 C97 C102 -177.7(4) . . . . ?
C101 C100 C99 C98 -0.8(11) . . . . ?
C205 N23 C167 C168 175.5(5) . . . . ?
C205 N23 B12 N24 -175.4(5) . . . . ?
C205 N23 B12 N20 2.0(9) . . . . ?
C205 C210 C214 C216 114.7(7) . . . . ?
C205 C210 C214 C215 -125.2(6) . . . . ?
C205 C210 C209 C208 2.2(8) . . . . ?
C205 C206 C207 C208 -1.1(8) . . . . ?
C205 C206 C211 C212 -88.8(7) . . . . ?
C205 C206 C211 C213 143.9(6) . . . . ?
C112 N15 C115 C116 83.8(4) . . . . ?
C112 N15 C115 C120 -97.6(4) . . . . ?
C112 N15 B8 N16 0.7(5) . . . . ?
C112 N15 B8 N13 -174.2(4) . . . . ?
C109 N13 B8 N16 -174.5(4) . . . . ?
C109 N13 B8 N15 -1.0(7) . . . . ?
C109 N13 B7 O3 -166.9(4) . . . . ?
C109 N13 B7 N14 14.7(5) . . . . ?
C165 N21 C169 C174 96.3(5) . . . . ?
C165 N21 C169 C170 -86.5(5) . . . . ?
C165 N21 B11 N22 1.1(5) . . . . ?
C165 N21 B11 N19 -178.3(4) . . . . ?
C36 C35 C34 C33 0.8(8) . . . . ?
C49 C44 C45 C46 177.6(5) . . . . ?
C185 C186 C190 C192 -32.2(7) . . . . ?
C185 C186 C190 C191 91.6(6) . . . . ?
C4 N6 C7 C12 80.3(5) . . . . ?
C4 N6 C7 C8 -97.0(5) . . . . ?
C4 N6 B3 N2 -174.6(4) . . . . ?
C4 N6 B3 N5 1.9(5) . . . . ?
C12 C7 C8 C9 2.7(7) . . . . ?
C12 C7 C8 C13 -175.6(5) . . . . ?
C12 C11 C10 C9 0.1(8) . . . . ?
C147 C145 C140 C139 -106.7(5) . . . . ?
C147 C145 C140 C141 74.3(6) . . . . ?
C190 C186 C185 C184 -173.8(5) . . . . ?
C63 C62 C66 C68 51.1(6) . . . . ?
C63 C62 C66 C67 -71.0(6) . . . . ?
C75 C76 C77 C72 0.1(8) . . . . ?
C75 C76 C77 C78 175.1(5) . . . . ?
C114 N17 C151 C156 85.8(5) . . . . ?
C114 N17 C151 C152 -95.0(6) . . . . ?
C114 N17 B9 N14 179.3(4) . . . . ?
C114 N17 B9 N18 -0.5(5) . . . . ?
C113 N18 C139 C140 75.7(6) . . . . ?
C113 N18 C139 C144 -102.4(5) . . . . ?
C113 N18 B9 N17 0.4(5) . . . . ?
C113 N18 B9 N14 -179.4(4) . . . . ?
C175 C170 C171 C172 180.0(5) . . . . ?
C9 C8 C13 C15 75.4(7) . . . . ?
C9 C8 C13 C14 -47.4(7) . . . . ?
C91 C90 C89 C84 106.4(5) . . . . ?
C91 C90 C89 C88 -73.9(5) . . . . ?
C127 N16 B8 N15 178.4(5) . . . . ?
C127 N16 B8 N13 -7.0(8) . . . . ?
C127 N16 C111 C112 -178.2(4) . . . . ?
C127 C128 C133 C134 -149.8(5) . . . . ?
C127 C128 C133 C135 86.1(6) . . . . ?
C127 C128 C129 C130 0.4(8) . . . . ?
C127 C132 C131 C130 -0.5(10) . . . . ?
C127 C132 C136 C137 -102.5(7) . . . . ?
C127 C132 C136 C138 136.8(7) . . . . ?
C47 C48 C52 C54 35.7(7) . . . . ?
C47 C48 C52 C53 -88.9(6) . . . . ?
C139 N18 C113 C114 169.6(4) . . . . ?
C139 N18 B9 N17 -167.6(4) . . . . ?
C139 N18 B9 N14 12.6(8) . . . . ?
C139 C140 C141 C142 -1.3(8) . . . . ?
C139 C144 C148 C149 -146.9(5) . . . . ?
C139 C144 C148 C150 88.8(6) . . . . ?
C81 C73 C72 N9 4.2(6) . . . . ?
C81 C73 C72 C77 179.3(4) . . . . ?
C81 C73 C74 C75 -177.8(5) . . . . ?
C93 C85 C86 C87 -174.8(5) . . . . ?
C37 C32 C31 N4 4.6(6) . . . . ?
C37 C32 C31 C36 -177.0(4) . . . . ?
C37 C32 C33 C34 177.2(5) . . . . ?
C189 C187 C182 C181 -127.2(5) . . . . ?
C189 C187 C182 C183 52.5(6) . . . . ?
C146 C145 C140 C139 129.6(5) . . . . ?
C146 C145 C140 C141 -49.4(6) . . . . ?
C141 C140 C139 N18 -176.5(4) . . . . ?
C141 C140 C139 C144 1.5(7) . . . . ?
C33 C32 C31 N4 -177.9(4) . . . . ?
C33 C32 C31 C36 0.5(6) . . . . ?
C33 C32 C37 C38 -74.1(7) . . . . ?
C33 C32 C37 C39 47.6(7) . . . . ?
C11 C12 C16 C18 -54.4(7) . . . . ?
C11 C12 C16 C17 70.9(7) . . . . ?
C10 C9 C8 C7 -0.6(8) . . . . ?
C10 C9 C8 C13 177.7(5) . . . . ?
C52 C48 C47 C46 172.8(5) . . . . ?
C195 C194 C199 C201 94.8(6) . . . . ?
C195 C194 C199 C200 -29.9(7) . . . . ?
C195 C196 C197 C198 2.1(8) . . . . ?
C173 C174 C178 C179 65.4(7) . . . . ?
C173 C174 C178 C180 -58.8(7) . . . . ?
C143 C144 C148 C149 36.8(7) . . . . ?
C143 C144 C148 C150 -87.5(7) . . . . ?
C65 C108 C69 C70 52.8(8) . . . . ?
C65 C108 C69 C71 -73.0(8) . . . . ?
C144 C143 C142 C141 1.7(9) . . . . ?
C108 C61 C62 C63 -1.2(7) . . . . ?
C108 C61 C62 C66 177.1(5) . . . . ?
C108 C65 C64 C63 -0.4(8) . . . . ?
C97 C96 C101 C105 179.7(4) . . . . ?
C97 C96 C101 C100 -0.1(7) . . . . ?
C97 C98 C99 C100 1.2(10) . . . . ?
C20 C19 C24 C23 -2.0(7) . . . . ?
C20 C19 C24 C28 179.3(4) . . . . ?
C20 C21 C22 C23 -1.4(8) . . . . ?
C21 C20 C25 C26 72.3(6) . . . . ?
C21 C20 C25 C27 -49.4(7) . . . . ?
C8 C7 C12 C11 -3.3(7) . . . . ?
C8 C7 C12 C16 177.1(5) . . . . ?
C8 C9 C10 C11 -0.8(8) . . . . ?
C40 C36 C35 C34 -178.1(5) . . . . ?
C198 C193 C194 C195 1.7(7) . . . . ?
C198 C193 C194 C199 -179.8(4) . . . . ?
C167 N23 C205 C210 94.9(6) . . . . ?
C167 N23 C205 C206 -83.8(6) . . . . ?
C167 N23 B12 N24 -1.1(5) . . . . ?
C167 N23 B12 N20 176.3(5) . . . . ?
C64 C65 C108 C61 -0.2(8) . . . . ?
C64 C65 C108 C69 179.1(6) . . . . ?
C171 C170 C175 C176 48.6(7) . . . . ?
C171 C170 C175 C177 -76.1(6) . . . . ?
C152 C151 C156 C160 177.4(4) . . . . ?
C152 C151 C156 C155 -1.1(7) . . . . ?
C152 C153 C154 C155 -1.2(10) . . . . ?
C199 C194 C195 C196 -178.5(5) . . . . ?
C210 C205 C206 C207 1.9(8) . . . . ?
C210 C205 C206 C211 -178.9(5) . . . . ?
C210 C209 C208 C207 -1.5(10) . . . . ?
C24 C19 C20 C21 1.5(7) . . . . ?
C24 C19 C20 C25 176.2(4) . . . . ?
C24 C23 C22 C21 0.8(8) . . . . ?
C168 N24 C193 C194 107.2(5) . . . . ?
C168 N24 C193 C198 -67.9(6) . . . . ?
C168 N24 B12 N20 -175.8(5) . . . . ?
C168 N24 B12 N23 1.5(5) . . . . ?
C206 C205 C210 C214 177.0(5) . . . . ?
C206 C205 C210 C209 -2.4(7) . . . . ?
C206 C207 C208 C209 0.9(10) . . . . ?
C92 C90 C89 C84 -130.3(4) . . . . ?
C92 C90 C89 C88 49.3(6) . . . . ?
C128 C127 C132 C131 2.3(8) . . . . ?
C128 C127 C132 C136 176.4(5) . . . . ?
C128 C129 C130 C131 1.5(9) . . . . ?
C58 N10 C61 C62 98.3(5) . . . . ?
C58 N10 C61 C108 -80.0(6) . . . . ?
C58 N10 B5 N7 173.9(5) . . . . ?
C58 N10 B5 N9 -1.6(5) . . . . ?
C124 C120 C119 C118 177.7(4) . . . . ?
C76 C77 C78 C79 -70.8(7) . . . . ?
C76 C77 C78 C80 50.4(7) . . . . ?
C23 C24 C28 C29 -83.9(6) . . . . ?
C23 C24 C28 C30 41.8(7) . . . . ?
B11 N22 C181 C182 118.3(5) . . . . ?
B11 N22 C181 C186 -63.8(6) . . . . ?
B11 N22 C166 C165 0.6(5) . . . . ?
B11 N19 C163 C164 -173.1(4) . . . . ?
B11 N19 B10 O4 9.8(7) . . . . ?
B11 N19 B10 N20 -169.6(4) . . . . ?
B11 N21 C169 C174 -94.8(6) . . . . ?
B11 N21 C169 C170 82.4(6) . . . . ?
B11 N21 C165 C166 -0.8(5) . . . . ?
C35 C36 C40 C42 -56.9(6) . . . . ?
C35 C36 C40 C41 66.8(6) . . . . ?
C142 C143 C144 C139 -1.5(8) . . . . ?
C142 C143 C144 C148 175.0(5) . . . . ?
C117 C116 C115 N15 178.7(3) . . . . ?
C117 C116 C115 C120 0.0 . . . . ?
C117 C116 C1A C122 65.2(13) . . . . ?
C117 C116 C1A C1B -52.7(14) . . . . ?
C117 C116 C121 C122 31.5(12) . . . . ?
C117 C116 C121 C1C -86.2(8) . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C116 C115 C120 C124 -177.7(4) . . . . ?
C116 C115 C120 C119 0.0 . . . . ?
C115 N15 C112 C111 -170.8(4) . . . . ?
C115 N15 B8 N16 169.8(4) . . . . ?
C115 N15 B8 N13 -5.0(8) . . . . ?
C115 C116 C1A C122 -119.5(10) . . . . ?
C115 C116 C1A C1B 122.6(12) . . . . ?
C115 C116 C121 C122 -140.2(7) . . . . ?
C115 C116 C121 C1C 102.1(8) . . . . ?
C115 C120 C119 C118 0.0 . . . . ?
C120 C119 C118 C117 0.0 . . . . ?
C118 C117 C116 C115 0.0 . . . . ?
C118 C117 C116 C1A 175.7(7) . . . . ?
C118 C117 C116 C121 -171.2(7) . . . . ?
C160 C156 C155 C154 -178.9(5) . . . . ?
B8 N16 C127 C128 68.4(7) . . . . ?
B8 N16 C127 C132 -115.5(6) . . . . ?
B8 N16 C111 C112 1.6(6) . . . . ?
B8 N15 C112 C111 0.2(6) . . . . ?
B8 N15 C115 C116 -84.5(5) . . . . ?
B8 N15 C115 C120 94.1(5) . . . . ?
B8 N13 C109 C110 156.7(4) . . . . ?
B8 N13 B7 O3 7.8(8) . . . . ?
B8 N13 B7 N14 -170.6(4) . . . . ?
C178 C174 C173 C172 -178.8(5) . . . . ?
C197 C198 C202 C203 -71.9(6) . . . . ?
C197 C198 C202 C204 48.3(7) . . . . ?
C16 C12 C11 C10 -178.5(5) . . . . ?
C105 C101 C100 C99 -179.6(6) . . . . ?
B5 N7 C55 C56 -160.9(4) . . . . ?
B5 N7 B4 O2 -3.2(8) . . . . ?
B5 N7 B4 N8 173.3(4) . . . . ?
B5 N9 C72 C73 -66.1(7) . . . . ?
B5 N9 C72 C77 118.8(6) . . . . ?
B5 N9 C57 C58 -0.9(6) . . . . ?
B5 N10 C61 C62 -99.0(6) . . . . ?
B5 N10 C61 C108 82.7(6) . . . . ?
B5 N10 C58 C57 1.1(6) . . . . ?
C111 N16 C127 C128 -111.9(5) . . . . ?
C111 N16 C127 C132 64.3(6) . . . . ?
C111 N16 B8 N15 -1.4(5) . . . . ?
C111 N16 B8 N13 173.2(5) . . . . ?
B10 N19 C163 C164 21.4(5) . . . . ?
B10 N19 B11 N22 -33.4(7) . . . . ?
B10 N19 B11 N21 145.8(5) . . . . ?
B10 N20 C164 C163 26.0(5) . . . . ?
B10 N20 B12 N24 -5.0(8) . . . . ?
B10 N20 B12 N23 178.3(5) . . . . ?
C66 C62 C63 C64 -177.7(5) . . . . ?
B6 N11 C84 C89 116.3(5) . . . . ?
B6 N11 C84 C85 -65.0(6) . . . . ?
B6 N11 C59 C60 1.0(5) . . . . ?
B6 N12 C60 C59 -0.5(5) . . . . ?
B6 N12 C96 C101 -101.4(6) . . . . ?
B6 N12 C96 C97 79.2(6) . . . . ?
B6 N8 C56 C55 -174.5(4) . . . . ?
B6 N8 B4 O2 7.7(8) . . . . ?
B6 N8 B4 N7 -168.9(4) . . . . ?
C133 C128 C129 C130 177.0(5) . . . . ?
B3 N2 C1 C2 159.2(4) . . . . ?
B3 N2 B1 O1 4.5(8) . . . . ?
B3 N2 B1 N1 -172.3(4) . . . . ?
B3 N6 C7 C12 -88.7(6) . . . . ?
B3 N6 C7 C8 94.0(6) . . . . ?
B3 N6 C4 C3 -1.6(6) . . . . ?
B3 N5 C19 C20 -120.0(5) . . . . ?
B3 N5 C19 C24 66.8(7) . . . . ?
B3 N5 C3 C4 0.7(6) . . . . ?
C155 C156 C160 C162 83.4(7) . . . . ?
C155 C156 C160 C161 -42.6(8) . . . . ?
C132 C127 C128 C133 -179.0(5) . . . . ?
C132 C127 C128 C129 -2.3(7) . . . . ?
C132 C131 C130 C129 -1.4(10) . . . . ?
B4 N7 C55 C56 24.3(5) . . . . ?
B4 N7 B5 N9 -16.8(8) . . . . ?
B4 N7 B5 N10 168.8(5) . . . . ?
B4 N8 C56 C55 19.4(5) . . . . ?
B4 N8 B6 N11 -31.8(8) . . . . ?
B4 N8 B6 N12 147.4(5) . . . . ?
C153 C152 C157 C158 -50.5(7) . . . . ?
C153 C152 C157 C159 74.0(7) . . . . ?
B2 N3 C43 C44 -115.6(5) . . . . ?
B2 N3 C43 C48 67.0(6) . . . . ?
B2 N3 C5 C6 -1.9(5) . . . . ?
B2 N1 C2 C1 174.8(4) . . . . ?
B2 N1 B1 O1 -7.8(8) . . . . ?
B2 N1 B1 N2 169.2(4) . . . . ?
B2 N4 C31 C32 97.0(6) . . . . ?
B2 N4 C31 C36 -81.4(6) . . . . ?
B2 N4 C6 C5 -0.2(5) . . . . ?
C28 C24 C23 C22 179.6(5) . . . . ?
C98 C97 C102 C104 42.3(8) . . . . ?
C98 C97 C102 C103 -81.7(7) . . . . ?
C214 C210 C209 C208 -177.3(6) . . . . ?
C207 C206 C211 C212 90.3(7) . . . . ?
C207 C206 C211 C213 -37.0(8) . . . . ?
B12 N24 C193 C194 -67.2(7) . . . . ?
B12 N24 C193 C198 117.7(6) . . . . ?
B12 N24 C168 C167 -1.5(6) . . . . ?
B12 N20 C164 C163 -156.7(4) . . . . ?
B12 N20 B10 O4 -9.2(8) . . . . ?
B12 N20 B10 N19 170.1(4) . . . . ?
B12 N23 C205 C210 -91.2(6) . . . . ?
B12 N23 C205 C206 90.1(7) . . . . ?
B12 N23 C167 C168 0.2(6) . . . . ?
C129 C128 C133 C134 33.6(7) . . . . ?
C129 C128 C133 C135 -90.5(6) . . . . ?
B1 N2 C1 C2 -23.1(5) . . . . ?
B1 N2 B3 N6 -169.6(5) . . . . ?
B1 N2 B3 N5 14.8(8) . . . . ?
B1 N1 C2 C1 -21.0(5) . . . . ?
B1 N1 B2 N3 30.6(8) . . . . ?
B1 N1 B2 N4 -150.0(5) . . . . ?
B9 N17 C151 C156 -80.8(6) . . . . ?
B9 N17 C151 C152 98.3(6) . . . . ?
B9 N17 C114 C113 0.5(6) . . . . ?
B9 N14 C110 C109 170.6(4) . . . . ?
B9 N14 B7 O3 -7.3(8) . . . . ?
B9 N14 B7 N13 171.2(4) . . . . ?
B9 N18 C113 C114 -0.1(5) . . . . ?
B9 N18 C139 C140 -117.5(5) . . . . ?
B9 N18 C139 C144 64.5(7) . . . . ?
C131 C132 C136 C137 71.6(8) . . . . ?
C131 C132 C136 C138 -49.2(8) . . . . ?
B7 N14 C110 C109 -21.6(5) . . . . ?
B7 N14 B9 N17 -146.5(5) . . . . ?
B7 N14 B9 N18 33.2(8) . . . . ?
B7 N13 C109 C110 -27.9(5) . . . . ?
B7 N13 B8 N16 11.6(8) . . . . ?
B7 N13 B8 N15 -174.9(4) . . . . ?
C209 C210 C214 C216 -65.9(8) . . . . ?
C209 C210 C214 C215 54.3(8) . . . . ?
C202 C198 C197 C196 174.8(5) . . . . ?
C25 C20 C21 C22 -174.7(5) . . . . ?
C157 C152 C153 C154 -179.9(6) . . . . ?
C100 C101 C105 C106 57.5(7) . . . . ?
C100 C101 C105 C107 -65.8(7) . . . . ?
C211 C206 C207 C208 179.7(6) . . . . ?
C125 C124 C120 C115 125.9(4) . . . . ?
C125 C124 C120 C119 -51.8(5) . . . . ?
C220 C221 C222 C217 0.0 . . . . ?
C221 C220 C219 C218 0.0 . . . . ?
C221 C222 C217 C218 0.0 . . . . ?
C222 C217 C218 C219 0.0 . . . . ?
C217 C218 C219 C220 0.0 . . . . ?
C219 C220 C221 C222 0.0 . . . . ?
C126 C124 C120 C115 -112.2(5) . . . . ?
C126 C124 C120 C119 70.1(5) . . . . ?
C136 C132 C131 C130 -174.8(6) . . . . ?
C237 C236 C235 C240 0.0 . . . . ?
C236 C237 C238 C239 0.0 . . . . ?
C236 C235 C240 C239 0.0 . . . . ?
C235 C240 C239 C238 0.0 . . . . ?
C240 C239 C238 C237 0.0 . . . . ?
C238 C237 C236 C235 0.0 . . . . ?
C245 C246 C241 C242 0.0 . . . . ?
C246 C245 C244 C243 0.0 . . . . ?
C246 C241 C242 C243 0.0 . . . . ?
C241 C242 C243 C244 0.0 . . . . ?
C242 C243 C244 C245 0.0 . . . . ?
C244 C245 C246 C241 0.0 . . . . ?
C232 C231 C230 C229 0.0 . . . . ?
C231 C232 C233 C234 0.0 . . . . ?
C231 C230 C229 C234 0.0 . . . . ?
C230 C229 C234 C233 0.0 . . . . ?
C229 C234 C233 C232 0.0 . . . . ?
C233 C232 C231 C230 0.0 . . . . ?
C226 C227 C228 C223 0.0 . . . . ?
C227 C226 C225 C224 0.0 . . . . ?
C227 C228 C223 C224 0.0 . . . . ?
C228 C223 C224 C225 0.0 . . . . ?
C223 C224 C225 C226 0.0 . . . . ?
C225 C226 C227 C228 0.0 . . . . ?
C1A C116 C115 N15 3.7(8) . . . . ?
C1A C116 C115 C120 -175.0(8) . . . . ?
C102 C97 C98 C99 177.2(6) . . . . ?
C121 C116 C115 N15 -9.1(6) . . . . ?
C121 C116 C115 C120 172.2(6) . . . . ?
