#------------------------------------------------------------------------------
#$Date: 2016-11-08 20:37:09 +0100 (mar 08 de nov de 2016) $
#$Revision: 188114 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/05/7040585.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_7040585
loop_
_publ_author_name
'Bestgen, Sebastian'
'Fuhr, Olaf'
'Roesky, Peter W.'
'Fenske, Dieter'
_publ_section_title
;
 Synthesis and molecular structure of a spheroidal binary nanoscale copper
 sulfide cluster.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14907
_journal_page_last               14910
_journal_paper_doi               10.1039/c6dt03311c
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C452 H540 Cu52 P8 S40, 10(C7 H16)'
_chemical_formula_sum            'C522 H700 Cu52 P8 S40'
_chemical_formula_weight         11809.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2016-05-11
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-08-17 deposited with the CCDC.
2016-09-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.6740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   41.0006(8)
_cell_length_b                   31.9188(4)
_cell_length_c                   45.9429(9)
_cell_measurement_reflns_used    95727
_cell_measurement_temperature    150.15
_cell_measurement_theta_max      60.29
_cell_measurement_theta_min      2.35
_cell_volume                     55065.2(17)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXD (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.15
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            DECTRIS
_diffrn_measured_fraction_theta_full 0.802
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device       '4-circle goniometer'
_diffrn_measurement_device_type  'Stoe StadiVari'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '2.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'secondary plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.0884
_diffrn_reflns_av_unetI/netI     0.1031
_diffrn_reflns_Laue_measured_fraction_full 0.802
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            147112
_diffrn_reflns_point_group_measured_fraction_full 0.802
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         60.303
_diffrn_reflns_theta_min         2.445
_diffrn_source                   'Cu Genix 3D'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_target            Cu
_diffrn_source_type              'microfocus sealed X-ray tube'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    4.080
_exptl_absorpt_correction_T_max  0.7784
_exptl_absorpt_correction_T_min  0.5930
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_description       block
_exptl_crystal_F_000             24400
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.025
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.804
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2657
_refine_ls_number_reflns         39955
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      0.808
_refine_ls_R_factor_all          0.0999
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0620P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1128
_refine_ls_wR_factor_ref         0.1263
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20446
_reflns_number_total             39955
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt03311c2.cif
_cod_data_source_block           cu52
_cod_depositor_comments
;Adding full bibliography for 7040585.cif.

 Adding full bibliography for 7040585.cif.
;
_cod_database_code               7040585
_shelxl_version_number           2014/6
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C97A-C96
 1.54 with sigma of 0.02
 C93-C97A
 2.51 with sigma of 0.02
 C98A-C97A
 2.51 with sigma of 0.02
 C98A-C96
 1.54 with sigma of 0.02
 C235-C234 = C236-C235 = C237-C236 = C238-C237 = C239-C238 = C240-C239
 1.54 with sigma of 0.02
 C234-C236 = C235-C237 = C236-C238 = C237-C239 = C238-C240
 2.51 with sigma of 0.02
 C99A-C97A
 2.51 with sigma of 0.02
 C256-C255 = C257-C256 = C258-C257 = C259-C258 = C260-C259 = C261-C260
 1.54 with sigma of 0.02
 C255-C257 = C256-C258 = C257-C259 = C258-C260 = C259-C261
 2.51 with sigma of 0.02
 C119-C121 = C121-C120 = C120-C119
 2.51 with sigma of 0.02
 C254-C253 = C253-C252 = C251-C252 = C251-C250 = C249-C250 = C249-C248
 1.54 with sigma of 0.02
 C248-C250 = C249-C251 = C250-C252 = C251-C253 = C252-C254
 2.51 with sigma of 0.02
 C266-C268 = C262-C264 = C263-C265 = C264-C266
 2.51 with sigma of 0.02
 C263-C262 = C264-C263 = C265-C264 = C266-C265 = C267-C266 = C268-C267
 1.54 with sigma of 0.02
 C65B-C64B
 1.54 with sigma of 0.02
 C97-C96
 1.54 with sigma of 0.02
 C229-C227
 2.51 with sigma of 0.02
 H15H-H22D_$1
 2.2 with sigma of 0.02
 C69B-C68B = C68B-C66B = C66B-C65B = C64B-C63B = C63B-C62B
 1.54 with sigma of 0.02
 C69B-C66B = C68B-C65B = C66B-C64B = C65B-C63B = C64B-C62B
 2.51 with sigma of 0.02
 C229-C228 = C230-C229 = C231-C230 = C232-C231 = C233-C232
 1.54 with sigma of 0.02
 C233-C231 = C233-C231 = C232-C230 = C231-C229 = C230-C228
 2.51 with sigma of 0.02
 C228-C227
 1.54 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C234 \\sim C235 \\sim C236 \\sim C237 \\sim C238 \\sim C239 \\sim C240: within
1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C255 \\sim C256 \\sim C257 \\sim C258 \\sim C259 \\sim C260 \\sim C261: within
1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C248 \\sim C249 \\sim C250 \\sim C251 \\sim C252 \\sim C253 \\sim C254: within
1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C262 \\sim C263 \\sim C264 \\sim C265 \\sim C266 \\sim C267 \\sim C268: within
1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C68B \\sim C65B \\sim C63B \\sim C69B \\sim C66B \\sim C64B \\sim C62B: within
1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C227 \\sim C228 \\sim C229 \\sim C230 \\sim C231 \\sim C232 \\sim C233: within
1.7A with sigma of 0.03 and sigma for terminal atoms of 0.06
4. Others
 Fixed Sof: C31(0.6) H31A(0.6) H31B(0.6) H31C(0.6) C32(0.6) H32A(0.6)
 H32B(0.6) H32C(0.6) C33(0.6) H33A(0.6) H33B(0.6) H33C(0.6) C42(0.5) H42A(0.5)
 H42B(0.5) H42C(0.5) C42A(0.5) H42D(0.5) H42E(0.5) H42F(0.5) C43(0.5) H43A(0.5)
 H43B(0.5) H43C(0.5) C43A(0.5) H43D(0.5) H43E(0.5) H43F(0.5) C44A(0.5)
 H44A(0.5) H44B(0.5) H44C(0.5) C44(0.5) H44D(0.5) H44E(0.5) H44F(0.5) C64(0.65)
 H64A(0.65) H64B(0.65) H64C(0.65) C65(0.65) H65A(0.65) H65B(0.65) H65C(0.65)
 C66(0.65) H66A(0.65) H66B(0.65) H66C(0.65) C97(0.7) H97A(0.7) H97B(0.7)
 H97C(0.7) C98(0.7) H98A(0.7) H98B(0.7) H98C(0.7) C99(0.7) H99A(0.7) H99B(0.7)
 H99C(0.7) C99A(0.3) H99D(0.3) H99E(0.3) H99F(0.3) C97A(0.3) H97D(0.3)
 H97E(0.3) H97F(0.3) C98A(0.3) H98D(0.3) H98E(0.3) H98F(0.3) C262(0.3)
 H26F(0.3) H26G(0.3) H26H(0.3) C263(0.3) H26I(0.3) H26J(0.3) C264(0.3)
 H26K(0.3) H26L(0.3) C265(0.3) H26M(0.3) H26N(0.3) C266(0.3) H26O(0.3)
 H26P(0.3) C267(0.3) H26Q(0.3) H26R(0.3) C268(0.3) H26S(0.3) H26T(0.3)
 H26U(0.3) C32A(0.4) H32D(0.4) H32E(0.4) H32F(0.4) C33A(0.4) H33D(0.4)
 H33E(0.4) H33F(0.4) C31A(0.4) H31D(0.4) H31E(0.4) H31F(0.4) C68B(0.7)
 H68A(0.7) H68B(0.7) C65B(0.7) H65G(0.7) H65H(0.7) C63B(0.7) H63A(0.7)
 H63B(0.7) C69B(0.7) H69A(0.7) H69B(0.7) H69C(0.7) C66B(0.7) H66G(0.7)
 H66H(0.7) C64B(0.7) H64G(0.7) H64H(0.7) C64A(0.35) H64D(0.35) H64E(0.35)
 H64F(0.35) C66A(0.35) H66D(0.35) H66E(0.35) H66F(0.35) C65A(0.35) H65D(0.35)
 H65E(0.35) H65F(0.35) C62B(0.7) H62A(0.7) H62B(0.7) H62C(0.7)
5.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C12(H12A,H12B), C23(H23A,H23B), C34(H34A,H34B), C45(H45A,H45B),
 C56(H56A,H56B), C67(H67A,H67B), C78(H78A,H78B), C89(H89A,H89B), C100(H10D,
 H10E), C111(H11G,H11H), C122(H12I,H12J), C133(H13J,H13K), C144(H14J,H14K),
 C256(H25D,H25E), C257(H25F,H25G), C258(H25H,H25I), C259(H25J,H25K), C260(H26A,
 H26B), C249(H24D,H24E), C250(H25L,H25M), C251(H25N,H25O), C252(H25P,H25Q),
 C253(H25R,H25S), C263(H26I,H26J), C264(H26K,H26L), C265(H26M,H26N), C266(H26O,
 H26P), C267(H26Q,H26R), C235(H23F,H23G), C236(H23H,H23I), C237(H23J,H23K),
 C238(H23L,H23M), C239(H23N,H23O), C228(H22G,H22H), C229(H22I,H22J), C230(H23P,
 H23Q), C231(H23R,H23S), C232(H23T,H23U), C68B(H68A,H68B), C65B(H65G,H65H),
 C63B(H63A,H63B), C66B(H66G,H66H), C64B(H64G,H64H)
5.b Me refined with riding coordinates:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C42(H42A,H42B,H42C),
 C42A(H42D,H42E,H42F), C43(H43A,H43B,H43C), C43A(H43D,H43E,H43F), C44A(H44A,
 H44B,H44C), C44(H44D,H44E,H44F), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C),
 C55(H55A,H55B,H55C), C75(H75A,H75B,H75C), C76(H76A,H76B,H76C), C77(H77A,H77B,
 H77C), C86(H86A,H86B,H86C), C87(H87A,H87B,H87C), C88(H88A,H88B,H88C),
 C99A(H99D,H99E,H99F), C108(H10F,H10G,H10H), C109(H10I,H10J,H10K), C110(H11D,
 H11E,H11F), C119(H11I,H11J,H11K), C120(H12C,H12D,H12E), C121(H12F,H12G,H12H),
 C130(H13A,H13B,H13C), C131(H13D,H13E,H13F), C132(H13G,H13H,H13I), C141(H14A,
 H14B,H14C), C142(H14D,H14E,H14F), C143(H14G,H14H,H14I), C152(H15A,H15B,H15C),
 C153(H15D,H15E,H15F), C154(H15G,H15H,H15I), C255(H25A,H25B,H25C), C261(H26C,
 H26D,H26E), C248(H24A,H24B,H24C), C254(H25T,H25U,H25V), C262(H26F,H26G,H26H),
 C268(H26S,H26T,H26U), C234(H23C,H23D,H23E), C240(H24F,H24G,H24H), C227(H22D,
 H22E,H22F), C233(H23V,H23W,H23X), C33A(H33D,H33E,H33F), C31A(H31D,H31E,H31F),
 C69B(H69A,H69B,H69C), C65A(H65D,H65E,H65F)
5.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C14(H14), C15(H15), C17(H17), C18(H18),
 C25(H25), C26(H26), C28(H28), C29(H29), C36(H36), C37(H37), C39(H39), C40(H40),
  C47(H47), C48(H48), C50(H50), C51(H51), C58(H58), C59(H59), C61(H61),
 C62(H62), C69(H69), C70(H70), C72(H72), C73(H73), C80(H80), C81(H81), C83(H83),
  C84(H84), C91(H91), C92(H92), C94(H94), C95(H95), C102(H102), C103(H103),
 C105(H105), C106(H106), C113(H113), C114(H114), C116(H116), C117(H117),
 C124(H124), C125(H125), C127(H127), C128(H128), C135(H135), C136(H136),
 C138(H138), C139(H139), C146(H146), C147(H147), C149(H149), C150(H150),
 C156(H156), C157(H157), C158(H158), C159(H159), C160(H160), C162(H162),
 C163(H163), C164(H164), C165(H165), C166(H166), C168(H168), C169(H169),
 C170(H170), C171(H171), C172(H172), C174(H174), C175(H175), C176(H176),
 C177(H177), C178(H178), C180(H180), C181(H181), C182(H182), C183(H183),
 C184(H184), C186(H186), C187(H187), C188(H188), C189(H189), C190(H190),
 C192(H192), C193(H193), C194(H194), C195(H195), C196(H196), C198(H198),
 C199(H199), C200(H200), C201(H201), C202(H202), C204(H204), C205(H205),
 C206(H206), C207(H207), C208(H208), C210(H210), C211(H211), C212(H212),
 C213(H213), C214(H214), C216(H216), C217(H217), C218(H218), C219(H219),
 C220(H220), C222(H222), C223(H223), C224(H224), C225(H225), C226(H226)
5.d Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C64(H64A,H64B,
 H64C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C97(H97A,H97B,H97C), C98(H98A,
 H98B,H98C), C99(H99A,H99B,H99C), C97A(H97D,H97E,H97F), C98A(H98D,H98E,H98F),
 C32A(H32D,H32E,H32F), C64A(H64D,H64E,H64F), C66A(H66D,H66E,H66F), C62B(H62A,
 H62B,H62C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Cu1 Cu 0.39595(2) 0.42653(3) 0.24044(2) 0.0537(2) Uani 1 1 d . . . . .
Cu2 Cu 0.62184(2) 0.64233(3) 0.35843(2) 0.0559(2) Uani 1 1 d . . . . .
Cu3 Cu 0.44228(2) 0.42259(3) 0.34022(2) 0.0561(2) Uani 1 1 d . . . . .
Cu4 Cu 0.29615(3) 0.45316(3) 0.24310(2) 0.0628(3) Uani 1 1 d . . . . .
Cu5 Cu 0.64839(3) 0.51851(3) 0.19118(2) 0.0594(2) Uani 1 1 d . . . . .
Cu6 Cu 0.56988(2) 0.60876(3) 0.16866(2) 0.0556(2) Uani 1 1 d . . . . .
Cu7 Cu 0.61676(3) 0.56811(3) 0.21734(2) 0.0562(2) Uani 1 1 d . . . . .
Cu8 Cu 0.54781(2) 0.59637(3) 0.21590(2) 0.0525(2) Uani 1 1 d . . . . .
Cu9 Cu 0.60116(2) 0.64001(3) 0.26058(2) 0.0530(2) Uani 1 1 d . . . . .
Cu10 Cu 0.66528(3) 0.53399(3) 0.27089(2) 0.0614(2) Uani 1 1 d . . . . .
Cu11 Cu 0.63834(2) 0.58290(3) 0.30362(2) 0.0536(2) Uani 1 1 d . . . . .
Cu12 Cu 0.69495(2) 0.54548(3) 0.34681(2) 0.0575(2) Uani 1 1 d . . . . .
Cu13 Cu 0.56893(2) 0.59866(3) 0.29515(2) 0.0534(2) Uani 1 1 d . . . . .
Cu14 Cu 0.36928(3) 0.45267(3) 0.14779(2) 0.0570(2) Uani 1 1 d . . . . .
Cu15 Cu 0.59035(2) 0.52338(3) 0.35616(2) 0.0564(2) Uani 1 1 d . . . . .
Cu16 Cu 0.53306(2) 0.59044(3) 0.35269(2) 0.0573(2) Uani 1 1 d . . . . .
Cu17 Cu 0.51713(3) 0.53121(3) 0.30235(2) 0.0601(2) Uani 1 1 d . . . . .
Cu18 Cu 0.53391(3) 0.47254(3) 0.35284(2) 0.0585(2) Uani 1 1 d . . . . .
Cu19 Cu 0.47498(2) 0.54069(3) 0.34350(2) 0.0550(2) Uani 1 1 d . . . . .
Cu20 Cu 0.71167(3) 0.61041(3) 0.28093(3) 0.0702(3) Uani 1 1 d . . . . .
Cu21 Cu 0.43036(3) 0.53231(3) 0.24261(2) 0.0671(3) Uani 1 1 d . . . . .
Cu22 Cu 0.45694(2) 0.46624(3) 0.28361(2) 0.0547(2) Uani 1 1 d . . . . .
Cu23 Cu 0.38526(2) 0.48415(3) 0.27601(2) 0.0540(2) Uani 1 1 d . . . . .
Cu24 Cu 0.42519(2) 0.46725(3) 0.20390(2) 0.0534(2) Uani 1 1 d . . . . .
Cu25 Cu 0.35429(2) 0.49562(3) 0.18888(2) 0.0537(2) Uani 1 1 d . . . . .
Cu26 Cu 0.5000 0.58028(4) 0.2500 0.0626(4) Uani 1 2 d S T P . .
Cu27 Cu 0.5000 0.48216(4) 0.2500 0.0624(4) Uani 1 2 d S T P . .
S1 S 0.70612(5) 0.50757(6) 0.22629(5) 0.0658(5) Uani 1 1 d . . . . .
S2 S 0.62011(4) 0.57935(5) 0.16824(4) 0.0574(4) Uani 1 1 d . . . . .
S3 S 0.57341(4) 0.65642(5) 0.20785(4) 0.0520(4) Uani 1 1 d . . . . .
S4 S 0.72433(5) 0.55466(6) 0.31425(5) 0.0663(5) Uani 1 1 d . . . . .
S5 S 0.67107(4) 0.60788(5) 0.35428(4) 0.0544(4) Uani 1 1 d . . . . .
S6 S 0.59281(4) 0.66299(5) 0.30315(4) 0.0531(4) Uani 1 1 d . . . . .
S7 S 0.59214(4) 0.58896(5) 0.37488(4) 0.0532(4) Uani 1 1 d . . . . .
S8 S 0.59249(4) 0.45864(5) 0.37621(4) 0.0555(4) Uani 1 1 d . . . . .
S9 S 0.48776(4) 0.60467(5) 0.36695(4) 0.0547(4) Uani 1 1 d . . . . .
S10 S 0.48635(4) 0.47527(5) 0.36424(4) 0.0540(4) Uani 1 1 d . . . . .
S11 S 0.38689(4) 0.45781(5) 0.32313(4) 0.0538(4) Uani 1 1 d . . . . .
S12 S 0.43553(4) 0.40217(5) 0.28692(4) 0.0534(4) Uani 1 1 d . . . . .
S13 S 0.31523(4) 0.48321(5) 0.13448(4) 0.0563(4) Uani 1 1 d . . . . .
S14 S 0.39093(4) 0.40784(5) 0.19073(4) 0.0532(4) Uani 1 1 d . . . . .
S15 S 0.65044(4) 0.60301(5) 0.26165(4) 0.0532(4) Uani 1 1 d . . . . .
S16 S 0.59750(4) 0.53521(5) 0.30881(4) 0.0505(4) Uani 1 1 d . . . . .
S17 S 0.51318(4) 0.59996(5) 0.29862(4) 0.0543(4) Uani 1 1 d . . . . .
S18 S 0.51951(4) 0.46265(5) 0.29923(4) 0.0549(4) Uani 1 1 d . . . . .
S19 S 0.43474(4) 0.52908(5) 0.29119(4) 0.0519(4) Uani 1 1 d . . . . .
S20 S 0.34355(4) 0.46432(5) 0.22854(4) 0.0536(4) Uani 1 1 d . . . . .
P1 P 0.73713(5) 0.66713(6) 0.27240(5) 0.0719(5) Uani 1 1 d . . . . .
P2 P 0.63294(5) 0.69843(5) 0.39096(5) 0.0583(4) Uani 1 1 d . . . . .
P3 P 0.45281(5) 0.36514(5) 0.37141(4) 0.0583(4) Uani 1 1 d . . . . .
P4 P 0.26535(5) 0.39369(6) 0.22699(5) 0.0659(5) Uani 1 1 d . . . . .
C1 C 0.7351(2) 0.4923(3) 0.2056(2) 0.075(2) Uani 1 1 d . . . . .
H1A H 0.7308 0.4626 0.1992 0.090 Uiso 1 1 calc R . . . .
H1B H 0.7288 0.5095 0.1862 0.090 Uiso 1 1 calc R . . . .
C2 C 0.7744(2) 0.4986(3) 0.2271(2) 0.078(2) Uani 1 1 d . . . . .
C3 C 0.7979(2) 0.4648(3) 0.2375(2) 0.095(3) Uani 1 1 d . . . . .
H3 H 0.7893 0.4372 0.2311 0.114 Uiso 1 1 calc R . . . .
C4 C 0.8332(2) 0.4708(3) 0.2568(3) 0.105(3) Uani 1 1 d . . . . .
H4 H 0.8479 0.4467 0.2642 0.126 Uiso 1 1 calc R . . . .
C5 C 0.8484(2) 0.5094(3) 0.2660(2) 0.087(3) Uani 1 1 d . . . . .
C6 C 0.8250(3) 0.5432(3) 0.2543(3) 0.105(3) Uani 1 1 d . . . . .
H6 H 0.8340 0.5709 0.2592 0.126 Uiso 1 1 calc R . . . .
C7 C 0.7887(2) 0.5374(3) 0.2357(3) 0.101(3) Uani 1 1 d . . . . .
H7 H 0.7737 0.5612 0.2289 0.121 Uiso 1 1 calc R . . . .
C8 C 0.8868(2) 0.5148(3) 0.2883(3) 0.091(3) Uani 1 1 d . . . . .
C9 C 0.9105(3) 0.4860(4) 0.2771(3) 0.127(4) Uani 1 1 d . . . . .
H9A H 0.9355 0.4894 0.2915 0.190 Uiso 1 1 calc R . . . .
H9B H 0.9034 0.4567 0.2772 0.190 Uiso 1 1 calc R . . . .
H9C H 0.9073 0.4940 0.2555 0.190 Uiso 1 1 calc R . . . .
C10 C 0.8924(3) 0.5003(4) 0.3214(3) 0.118(3) Uani 1 1 d . . . . .
H10A H 0.9174 0.5040 0.3358 0.177 Uiso 1 1 calc R . . . .
H10B H 0.8774 0.5169 0.3291 0.177 Uiso 1 1 calc R . . . .
H10C H 0.8860 0.4706 0.3208 0.177 Uiso 1 1 calc R . . . .
C11 C 0.8997(3) 0.5603(3) 0.2892(3) 0.129(4) Uani 1 1 d . . . . .
H11A H 0.9248 0.5623 0.3041 0.194 Uiso 1 1 calc R . . . .
H11B H 0.8973 0.5687 0.2680 0.194 Uiso 1 1 calc R . . . .
H11C H 0.8853 0.5789 0.2963 0.194 Uiso 1 1 calc R . . . .
C12 C 0.6536(2) 0.6209(2) 0.1783(2) 0.072(2) Uani 1 1 d . . . . .
H12A H 0.6419 0.6486 0.1755 0.086 Uiso 1 1 calc R . . . .
H12B H 0.6704 0.6182 0.2008 0.086 Uiso 1 1 calc R . . . .
C13 C 0.6742(2) 0.6178(3) 0.1566(2) 0.080(2) Uani 1 1 d . . . . .
C14 C 0.6657(3) 0.6403(3) 0.1293(3) 0.114(3) Uani 1 1 d . . . . .
H14 H 0.6465 0.6597 0.1230 0.137 Uiso 1 1 calc R . . . .
C15 C 0.6851(3) 0.6349(4) 0.1101(3) 0.115(3) Uani 1 1 d . . . . .
H15 H 0.6788 0.6509 0.0912 0.138 Uiso 1 1 calc R . . . .
C16 C 0.7131(2) 0.6069(3) 0.1184(2) 0.090(3) Uani 1 1 d . . . . .
C17 C 0.7215(3) 0.5844(3) 0.1467(3) 0.102(3) Uani 1 1 d . . . . .
H17 H 0.7409 0.5652 0.1535 0.123 Uiso 1 1 calc R . . . .
C18 C 0.7019(3) 0.5901(3) 0.1649(2) 0.095(3) Uani 1 1 d . . . . .
H18 H 0.7079 0.5741 0.1838 0.114 Uiso 1 1 calc R . . . .
C19 C 0.7358(3) 0.6008(4) 0.0984(3) 0.106(3) Uani 1 1 d . . . . .
C20 C 0.7368(3) 0.5539(4) 0.0916(3) 0.128(4) Uani 1 1 d . . . . .
H20A H 0.7466 0.5384 0.1117 0.191 Uiso 1 1 calc R . . . .
H20B H 0.7126 0.5440 0.0788 0.191 Uiso 1 1 calc R . . . .
H20C H 0.7518 0.5494 0.0798 0.191 Uiso 1 1 calc R . . . .
C21 C 0.7736(3) 0.6158(4) 0.1186(3) 0.131(4) Uani 1 1 d . . . . .
H21A H 0.7830 0.6004 0.1387 0.197 Uiso 1 1 calc R . . . .
H21B H 0.7888 0.6107 0.1071 0.197 Uiso 1 1 calc R . . . .
H21C H 0.7732 0.6458 0.1228 0.197 Uiso 1 1 calc R . . . .
C22 C 0.7205(4) 0.6241(5) 0.0669(3) 0.154(5) Uani 1 1 d . . . . .
H22A H 0.6963 0.6140 0.0544 0.232 Uiso 1 1 calc R . . . .
H22B H 0.7198 0.6541 0.0709 0.232 Uiso 1 1 calc R . . . .
H22C H 0.7355 0.6190 0.0552 0.232 Uiso 1 1 calc R . . . .
C23 C 0.53524(16) 0.69255(17) 0.19341(16) 0.0512(16) Uani 1 1 d . . . . .
H23A H 0.5151 0.6788 0.1761 0.061 Uiso 1 1 calc R . . . .
H23B H 0.5277 0.6987 0.2109 0.061 Uiso 1 1 calc R . . . .
C24 C 0.54399(18) 0.7332(2) 0.18123(18) 0.0622(18) Uani 1 1 d . . . . .
C25 C 0.5370(2) 0.7709(2) 0.1916(2) 0.082(2) Uani 1 1 d . . . . .
H25 H 0.5276 0.7714 0.2074 0.098 Uiso 1 1 calc R . . . .
C26 C 0.5434(3) 0.8092(3) 0.1794(2) 0.102(3) Uani 1 1 d . . . . .
H26 H 0.5377 0.8350 0.1867 0.122 Uiso 1 1 calc R . . . .
C27 C 0.5578(3) 0.8091(3) 0.1571(3) 0.103(3) Uani 1 1 d . . . . .
C28 C 0.5654(2) 0.7704(3) 0.1463(2) 0.090(3) Uani 1 1 d . . . . .
H28 H 0.5753 0.7699 0.1308 0.109 Uiso 1 1 calc R . . . .
C29 C 0.5584(2) 0.7331(2) 0.15840(19) 0.070(2) Uani 1 1 d . . . . .
H29 H 0.5635 0.7071 0.1510 0.083 Uiso 1 1 calc R . . . .
C30 C 0.5653(4) 0.8520(3) 0.1437(3) 0.133(4) Uani 1 1 d . . . . .
C31 C 0.5478(5) 0.8501(5) 0.1069(4) 0.099(5) Uiso 0.6 1 d . . . A 1
H31A H 0.5564 0.8252 0.0996 0.148 Uiso 0.6 1 calc GR . . A 1
H31B H 0.5541 0.8753 0.0981 0.148 Uiso 0.6 1 calc GR . . A 1
H31C H 0.5219 0.8485 0.0997 0.148 Uiso 0.6 1 calc GR . . A 1
C32 C 0.6038(6) 0.8568(7) 0.1537(5) 0.127(6) Uiso 0.6 1 d . . . A 1
H32A H 0.6155 0.8572 0.1769 0.190 Uiso 0.6 1 calc GR . . A 1
H32B H 0.6087 0.8831 0.1452 0.190 Uiso 0.6 1 calc GR . . A 1
H32C H 0.6130 0.8332 0.1455 0.190 Uiso 0.6 1 calc GR . . A 1
C33 C 0.5464(5) 0.8899(6) 0.1546(5) 0.122(6) Uiso 0.6 1 d . . . A 1
H33A H 0.5211 0.8834 0.1484 0.183 Uiso 0.6 1 calc GR . . A 1
H33B H 0.5487 0.9159 0.1443 0.183 Uiso 0.6 1 calc GR . . A 1
H33C H 0.5579 0.8932 0.1778 0.183 Uiso 0.6 1 calc GR . . A 1
C34 C 0.7637(2) 0.5245(3) 0.3202(2) 0.076(2) Uani 1 1 d . . . . .
H34A H 0.7632 0.4982 0.3315 0.091 Uiso 1 1 calc R . . . .
H34B H 0.7636 0.5169 0.2993 0.091 Uiso 1 1 calc R . . . .
C35 C 0.7973(2) 0.5480(2) 0.3390(2) 0.074(2) Uani 1 1 d . . . . .
C36 C 0.8140(2) 0.5731(3) 0.3250(2) 0.089(2) Uani 1 1 d . . . . .
H36 H 0.8041 0.5756 0.3025 0.106 Uiso 1 1 calc R . . . .
C37 C 0.8450(3) 0.5951(3) 0.3430(3) 0.103(3) Uani 1 1 d . . . . .
H37 H 0.8557 0.6119 0.3321 0.123 Uiso 1 1 calc R . . . .
C38 C 0.8608(3) 0.5935(3) 0.3755(3) 0.102(3) Uani 1 1 d . . . . .
C39 C 0.8434(3) 0.5691(4) 0.3900(3) 0.115(3) Uani 1 1 d . . . . .
H39 H 0.8528 0.5675 0.4125 0.138 Uiso 1 1 calc R . . . .
C40 C 0.8126(3) 0.5468(3) 0.3721(3) 0.102(3) Uani 1 1 d . . . . .
H40 H 0.8017 0.5302 0.3828 0.122 Uiso 1 1 calc R . . . .
C41 C 0.8959(3) 0.6169(3) 0.3953(4) 0.132(4) Uani 1 1 d . . . . .
C42 C 0.8926(9) 0.6612(11) 0.3814(8) 0.182(12) Uiso 0.5 1 d . . . B 1
H42A H 0.9143 0.6771 0.3933 0.273 Uiso 0.5 1 calc R . . B 1
H42B H 0.8892 0.6593 0.3590 0.273 Uiso 0.5 1 calc R . . B 1
H42C H 0.8721 0.6754 0.3828 0.273 Uiso 0.5 1 calc R . . B 1
C42A C 0.8897(6) 0.6489(8) 0.4161(6) 0.122(7) Uiso 0.5 1 d . . . B 2
H42D H 0.8703 0.6674 0.4031 0.182 Uiso 0.5 1 calc R . . B 2
H42E H 0.8834 0.6349 0.4321 0.182 Uiso 0.5 1 calc R . . B 2
H42F H 0.9115 0.6654 0.4267 0.182 Uiso 0.5 1 calc R . . B 2
C43 C 0.9040(10) 0.6129(14) 0.4319(10) 0.211(15) Uiso 0.5 1 d . . . B 1
H43A H 0.9054 0.5832 0.4378 0.316 Uiso 0.5 1 calc R . . B 1
H43B H 0.9267 0.6266 0.4445 0.316 Uiso 0.5 1 calc R . . B 1
H43C H 0.8849 0.6263 0.4362 0.316 Uiso 0.5 1 calc R . . B 1
C43A C 0.9246(8) 0.5883(10) 0.4132(8) 0.165(10) Uiso 0.5 1 d . . . B 2
H43D H 0.9278 0.5678 0.3986 0.247 Uiso 0.5 1 calc R . . B 2
H43E H 0.9467 0.6041 0.4238 0.247 Uiso 0.5 1 calc R . . B 2
H43F H 0.9187 0.5736 0.4292 0.247 Uiso 0.5 1 calc R . . B 2
C44A C 0.9100(8) 0.6431(10) 0.3729(7) 0.151(9) Uiso 0.5 1 d . . . B 2
H44A H 0.8917 0.6631 0.3603 0.227 Uiso 0.5 1 calc R . . B 2
H44B H 0.9317 0.6584 0.3861 0.227 Uiso 0.5 1 calc R . . B 2
H44C H 0.9153 0.6239 0.3588 0.227 Uiso 0.5 1 calc R . . B 2
C44 C 0.9257(7) 0.5970(8) 0.3850(7) 0.138(8) Uiso 0.5 1 d . . . B 1
H44D H 0.9305 0.5681 0.3926 0.207 Uiso 0.5 1 calc R . . B 1
H44E H 0.9171 0.5974 0.3618 0.207 Uiso 0.5 1 calc R . . B 1
H44F H 0.9477 0.6135 0.3943 0.207 Uiso 0.5 1 calc R . . B 1
C45 C 0.70257(17) 0.6475(2) 0.35221(17) 0.0564(17) Uani 1 1 d . . . . .
H45A H 0.7124 0.6383 0.3368 0.068 Uiso 1 1 calc R . . . .
H45B H 0.6899 0.6743 0.3446 0.068 Uiso 1 1 calc R . . . .
C46 C 0.73242(18) 0.6541(2) 0.38402(18) 0.0635(19) Uani 1 1 d . . . . .
C47 C 0.7541(2) 0.6222(3) 0.4018(2) 0.077(2) Uani 1 1 d . . . . .
H47 H 0.7500 0.5946 0.3933 0.092 Uiso 1 1 calc R . . . .
C48 C 0.7809(2) 0.6284(3) 0.4307(2) 0.098(3) Uani 1 1 d . . . . .
H48 H 0.7952 0.6054 0.4418 0.117 Uiso 1 1 calc R . . . .
C49 C 0.7876(3) 0.6688(4) 0.4446(2) 0.098(3) Uani 1 1 d . . . . .
C50 C 0.7665(3) 0.7008(3) 0.4264(2) 0.088(3) Uani 1 1 d . . . . .
H50 H 0.7708 0.7285 0.4347 0.106 Uiso 1 1 calc R . . . .
C51 C 0.7399(2) 0.6947(2) 0.3973(2) 0.073(2) Uani 1 1 d . . . . .
H51 H 0.7262 0.7178 0.3858 0.088 Uiso 1 1 calc R . . . .
C52 C 0.8179(3) 0.6770(4) 0.4771(3) 0.125(4) Uani 1 1 d . . . . .
C53 C 0.8375(5) 0.6391(6) 0.4918(3) 0.236(11) Uani 1 1 d . . . . .
H53A H 0.8564 0.6461 0.5124 0.353 Uiso 1 1 calc R . . . .
H53B H 0.8212 0.6188 0.4948 0.353 Uiso 1 1 calc R . . . .
H53C H 0.8480 0.6270 0.4779 0.353 Uiso 1 1 calc R . . . .
C54 C 0.8439(3) 0.7092(5) 0.4730(3) 0.169(6) Uani 1 1 d . . . . .
H54A H 0.8309 0.7347 0.4632 0.253 Uiso 1 1 calc R . . . .
H54B H 0.8626 0.7159 0.4939 0.253 Uiso 1 1 calc R . . . .
H54C H 0.8548 0.6972 0.4594 0.253 Uiso 1 1 calc R . . . .
C55 C 0.8014(4) 0.6996(6) 0.4979(3) 0.181(7) Uani 1 1 d . . . . .
H55A H 0.7887 0.7247 0.4868 0.271 Uiso 1 1 calc R . . . .
H55B H 0.7848 0.6807 0.5018 0.271 Uiso 1 1 calc R . . . .
H55C H 0.8204 0.7077 0.5182 0.271 Uiso 1 1 calc R . . . .
C56 C 0.55329(17) 0.69573(18) 0.29295(17) 0.0560(17) Uani 1 1 d . . . . .
H56A H 0.5356 0.6874 0.2717 0.067 Uiso 1 1 calc R . . . .
H56B H 0.5426 0.6905 0.3085 0.067 Uiso 1 1 calc R . . . .
C57 C 0.56087(18) 0.7422(2) 0.29258(18) 0.0608(18) Uani 1 1 d . . . . .
C58 C 0.5762(2) 0.7578(2) 0.27266(18) 0.070(2) Uani 1 1 d . . . . .
H58 H 0.5822 0.7391 0.2595 0.084 Uiso 1 1 calc R . . . .
C59 C 0.5828(2) 0.8001(2) 0.2720(2) 0.080(2) Uani 1 1 d . . . . .
H59 H 0.5932 0.8100 0.2582 0.096 Uiso 1 1 calc R . . . .
C60 C 0.5746(2) 0.8287(2) 0.2910(2) 0.080(2) Uani 1 1 d . . . . .
C61 C 0.5599(2) 0.8126(2) 0.3109(2) 0.084(2) Uani 1 1 d . . . . .
H61 H 0.5541 0.8312 0.3243 0.101 Uiso 1 1 calc R . . . .
C62 C 0.5533(2) 0.7702(2) 0.3119(2) 0.075(2) Uani 1 1 d . . . . .
H62 H 0.5435 0.7602 0.3261 0.090 Uiso 1 1 calc R . . . .
C63 C 0.5808(3) 0.8759(2) 0.2879(3) 0.102(3) Uani 1 1 d . . . . .
C64 C 0.6183(4) 0.8851(5) 0.2976(4) 0.102(5) Uiso 0.65 1 d . . . C 1
H64A H 0.6310 0.8786 0.3202 0.154 Uiso 0.65 1 calc GR . . C 1
H64B H 0.6212 0.9148 0.2940 0.154 Uiso 0.65 1 calc GR . . C 1
H64C H 0.6279 0.8680 0.2852 0.154 Uiso 0.65 1 calc GR . . C 1
C65 C 0.5654(4) 0.9027(4) 0.3080(4) 0.094(4) Uiso 0.65 1 d . . . C 1
H65A H 0.5397 0.8977 0.3005 0.142 Uiso 0.65 1 calc GR . . C 1
H65B H 0.5696 0.9325 0.3057 0.142 Uiso 0.65 1 calc GR . . C 1
H65C H 0.5771 0.8948 0.3304 0.142 Uiso 0.65 1 calc GR . . C 1
C66 C 0.5568(4) 0.8891(5) 0.2508(4) 0.101(5) Uiso 0.65 1 d . . . C 1
H66A H 0.5664 0.8752 0.2368 0.151 Uiso 0.65 1 calc GR . . C 1
H66B H 0.5577 0.9195 0.2485 0.151 Uiso 0.65 1 calc GR . . C 1
H66C H 0.5321 0.8803 0.2450 0.151 Uiso 0.65 1 calc GR . . C 1
C67 C 0.60499(17) 0.5882(2) 0.41770(16) 0.0576(17) Uani 1 1 d . . . . .
H67A H 0.6068 0.6175 0.4252 0.069 Uiso 1 1 calc R . . . .
H67B H 0.5857 0.5746 0.4220 0.069 Uiso 1 1 calc R . . . .
C68 C 0.63944(18) 0.5662(2) 0.43693(16) 0.0555(17) Uani 1 1 d . . . . .
C69 C 0.66561(19) 0.5570(2) 0.42605(18) 0.0631(18) Uani 1 1 d . . . . .
H69 H 0.6618 0.5640 0.4048 0.076 Uiso 1 1 calc R . . . .
C70 C 0.6970(2) 0.5379(2) 0.44536(18) 0.071(2) Uani 1 1 d . . . . .
H70 H 0.7143 0.5319 0.4370 0.085 Uiso 1 1 calc R . . . .
C71 C 0.7041(2) 0.5273(2) 0.47625(19) 0.077(2) Uani 1 1 d . . . . .
C72 C 0.6780(2) 0.5358(3) 0.48740(19) 0.084(2) Uani 1 1 d . . . . .
H72 H 0.6821 0.5287 0.5087 0.101 Uiso 1 1 calc R . . . .
C73 C 0.6459(2) 0.5545(2) 0.46817(18) 0.074(2) Uani 1 1 d . . . . .
H73 H 0.6282 0.5593 0.4762 0.088 Uiso 1 1 calc R . . . .
C74 C 0.7391(3) 0.5063(3) 0.4982(2) 0.102(3) Uani 1 1 d . . . . .
C75 C 0.7309(4) 0.4592(4) 0.5016(3) 0.166(6) Uani 1 1 d . . . . .
H75A H 0.7130 0.4572 0.5106 0.248 Uiso 1 1 calc R . . . .
H75B H 0.7219 0.4457 0.4807 0.248 Uiso 1 1 calc R . . . .
H75C H 0.7528 0.4450 0.5157 0.248 Uiso 1 1 calc R . . . .
C76 C 0.7537(3) 0.5273(4) 0.5306(2) 0.143(5) Uani 1 1 d . . . . .
H76A H 0.7358 0.5258 0.5398 0.214 Uiso 1 1 calc R . . . .
H76B H 0.7754 0.5128 0.5447 0.214 Uiso 1 1 calc R . . . .
H76C H 0.7592 0.5567 0.5283 0.214 Uiso 1 1 calc R . . . .
C77 C 0.7669(3) 0.5087(5) 0.4843(3) 0.164(6) Uani 1 1 d . . . . .
H77A H 0.7576 0.4952 0.4633 0.246 Uiso 1 1 calc R . . . .
H77B H 0.7723 0.5381 0.4820 0.246 Uiso 1 1 calc R . . . .
H77C H 0.7886 0.4942 0.4984 0.246 Uiso 1 1 calc R . . . .
C78 C 0.61460(19) 0.4629(2) 0.41993(15) 0.0621(17) Uani 1 1 d . . . . .
H78A H 0.6387 0.4751 0.4261 0.074 Uiso 1 1 calc R . . . .
H78B H 0.6007 0.4816 0.4278 0.074 Uiso 1 1 calc R . . . .
C79 C 0.6175(2) 0.4201(2) 0.43455(16) 0.0623(18) Uani 1 1 d . . . . .
C80 C 0.5911(2) 0.4067(2) 0.44491(17) 0.0658(19) Uani 1 1 d . . . . .
H80 H 0.5717 0.4246 0.4425 0.079 Uiso 1 1 calc R . . . .
C81 C 0.5936(2) 0.3677(2) 0.45846(18) 0.076(2) Uani 1 1 d . . . . .
H81 H 0.5761 0.3598 0.4661 0.091 Uiso 1 1 calc R . . . .
C82 C 0.6203(2) 0.3396(3) 0.46143(19) 0.079(2) Uani 1 1 d . . . . .
C83 C 0.6458(2) 0.3528(3) 0.4510(2) 0.088(3) Uani 1 1 d . . . . .
H83 H 0.6650 0.3346 0.4532 0.106 Uiso 1 1 calc R . . . .
C84 C 0.6442(2) 0.3921(3) 0.43748(19) 0.078(2) Uani 1 1 d . . . . .
H84 H 0.6619 0.3997 0.4301 0.094 Uiso 1 1 calc R . . . .
C85 C 0.6228(3) 0.2964(3) 0.4780(2) 0.098(3) Uani 1 1 d . . . . .
C86 C 0.5873(3) 0.2856(4) 0.4805(3) 0.144(5) Uani 1 1 d . . . . .
H86A H 0.5682 0.2841 0.4592 0.215 Uiso 1 1 calc R . . . .
H86B H 0.5895 0.2586 0.4913 0.215 Uiso 1 1 calc R . . . .
H86C H 0.5816 0.3074 0.4928 0.215 Uiso 1 1 calc R . . . .
C87 C 0.6530(3) 0.2991(3) 0.5110(2) 0.127(4) Uani 1 1 d . . . . .
H87A H 0.6473 0.3204 0.5236 0.191 Uiso 1 1 calc R . . . .
H87B H 0.6560 0.2719 0.5216 0.191 Uiso 1 1 calc R . . . .
H87C H 0.6752 0.3068 0.5090 0.191 Uiso 1 1 calc R . . . .
C88 C 0.6322(3) 0.2628(3) 0.4585(2) 0.120(4) Uani 1 1 d . . . . .
H88A H 0.6129 0.2609 0.4372 0.179 Uiso 1 1 calc R . . . .
H88B H 0.6544 0.2706 0.4566 0.179 Uiso 1 1 calc R . . . .
H88C H 0.6352 0.2357 0.4692 0.179 Uiso 1 1 calc R . . . .
C89 C 0.4952(2) 0.5941(2) 0.40854(16) 0.0648(19) Uani 1 1 d . . . . .
H89A H 0.4731 0.5823 0.4091 0.078 Uiso 1 1 calc R . . . .
H89B H 0.5141 0.5726 0.4172 0.078 Uiso 1 1 calc R . . . .
C90 C 0.5057(2) 0.6318(2) 0.42929(17) 0.0660(19) Uani 1 1 d . . . . .
C91 C 0.5405(3) 0.6387(3) 0.4488(2) 0.094(3) Uani 1 1 d . . . . .
H91 H 0.5582 0.6196 0.4487 0.112 Uiso 1 1 calc R . . . .
C92 C 0.5504(3) 0.6737(4) 0.4692(3) 0.119(4) Uani 1 1 d . . . . .
H92 H 0.5749 0.6781 0.4821 0.142 Uiso 1 1 calc R . . . .
C93 C 0.5259(5) 0.7014(4) 0.4708(3) 0.123(4) Uani 1 1 d D . . . .
C94 C 0.4915(4) 0.6939(3) 0.4508(3) 0.120(4) Uani 1 1 d . . . . .
H94 H 0.4736 0.7125 0.4511 0.144 Uiso 1 1 calc R . . . .
C95 C 0.4815(3) 0.6603(3) 0.4302(2) 0.091(3) Uani 1 1 d . . . . .
H95 H 0.4572 0.6571 0.4163 0.109 Uiso 1 1 calc R . . . .
C96 C 0.5390(5) 0.7390(4) 0.4947(3) 0.172(7) Uani 1 1 d D . . . .
C97 C 0.5756(6) 0.7254(9) 0.5235(6) 0.199(10) Uiso 0.7 1 d D . . D 1
H97A H 0.5711 0.7014 0.5347 0.299 Uiso 0.7 1 calc GR . . D 1
H97B H 0.5847 0.7489 0.5383 0.299 Uiso 0.7 1 calc GR . . D 1
H97C H 0.5932 0.7176 0.5150 0.299 Uiso 0.7 1 calc GR . . D 1
C98 C 0.5136(7) 0.7445(8) 0.5119(6) 0.187(9) Uiso 0.7 1 d . . . D 1
H98A H 0.4897 0.7513 0.4962 0.281 Uiso 0.7 1 calc GR . . D 1
H98B H 0.5223 0.7674 0.5274 0.281 Uiso 0.7 1 calc GR . . D 1
H98C H 0.5129 0.7185 0.5229 0.281 Uiso 0.7 1 calc GR . . D 1
C99 C 0.5408(8) 0.7773(9) 0.4777(6) 0.195(11) Uiso 0.7 1 d . . . D 1
H99A H 0.5579 0.7733 0.4679 0.292 Uiso 0.7 1 calc GR . . D 1
H99B H 0.5485 0.8007 0.4927 0.292 Uiso 0.7 1 calc GR . . D 1
H99C H 0.5173 0.7834 0.4611 0.292 Uiso 0.7 1 calc GR . . D 1
C99A C 0.5018(8) 0.7704(15) 0.4862(11) 0.140(14) Uiso 0.3 1 d D . . D 2
H99D H 0.4907 0.7761 0.4634 0.210 Uiso 0.3 1 calc R . . D 2
H99E H 0.4847 0.7560 0.4927 0.210 Uiso 0.3 1 calc R . . D 2
H99F H 0.5089 0.7969 0.4979 0.210 Uiso 0.3 1 calc R . . D 2
C97A C 0.5615(6) 0.7679(6) 0.4832(5) 0.065(7) Uiso 0.3 1 d D . . D 2
H97D H 0.5810 0.7518 0.4815 0.097 Uiso 0.3 1 calc GR . . D 2
H97E H 0.5714 0.7907 0.4985 0.097 Uiso 0.3 1 calc GR . . D 2
H97F H 0.5465 0.7796 0.4624 0.097 Uiso 0.3 1 calc GR . . D 2
C98A C 0.5527(9) 0.7330(10) 0.5287(5) 0.100(9) Uiso 0.3 1 d D . . D 2
H98D H 0.5348 0.7184 0.5341 0.149 Uiso 0.3 1 calc GR . . D 2
H98E H 0.5580 0.7602 0.5393 0.149 Uiso 0.3 1 calc GR . . D 2
H98F H 0.5745 0.7161 0.5356 0.149 Uiso 0.3 1 calc GR . . D 2
C100 C 0.50118(17) 0.4760(2) 0.40758(15) 0.0549(16) Uani 1 1 d . . . . .
H10D H 0.5058 0.4468 0.4155 0.066 Uiso 1 1 calc R . . . .
H10E H 0.5240 0.4914 0.4168 0.066 Uiso 1 1 calc R . . . .
C101 C 0.47540(18) 0.49568(19) 0.41947(16) 0.0521(16) Uani 1 1 d . . . . .
C102 C 0.48746(19) 0.5081(2) 0.45075(17) 0.0612(18) Uani 1 1 d . . . . .
H102 H 0.5119 0.5047 0.4642 0.073 Uiso 1 1 calc R . . . .
C103 C 0.46452(19) 0.5256(2) 0.46294(17) 0.0646(18) Uani 1 1 d . . . . .
H103 H 0.4737 0.5342 0.4845 0.078 Uiso 1 1 calc R . . . .
C104 C 0.42871(19) 0.5308(2) 0.44446(17) 0.0642(18) Uani 1 1 d . . . . .
C105 C 0.4165(2) 0.5191(2) 0.41258(18) 0.069(2) Uani 1 1 d . . . . .
H105 H 0.3921 0.5228 0.3990 0.082 Uiso 1 1 calc R . . . .
C106 C 0.43962(18) 0.5023(2) 0.40040(17) 0.0600(17) Uani 1 1 d . . . . .
H106 H 0.4308 0.4951 0.3785 0.072 Uiso 1 1 calc R . . . .
C107 C 0.4030(2) 0.5492(3) 0.4581(2) 0.084(2) Uani 1 1 d . . . . .
C108 C 0.4082(3) 0.5956(3) 0.4608(3) 0.143(5) Uani 1 1 d . . . . .
H10F H 0.4332 0.6018 0.4740 0.214 Uiso 1 1 calc R . . . .
H10G H 0.4016 0.6076 0.4396 0.214 Uiso 1 1 calc R . . . .
H10H H 0.3931 0.6077 0.4707 0.214 Uiso 1 1 calc R . . . .
C109 C 0.4112(4) 0.5304(5) 0.4909(3) 0.148(5) Uani 1 1 d . . . . .
H10I H 0.4077 0.5000 0.4889 0.222 Uiso 1 1 calc R . . . .
H10J H 0.4359 0.5365 0.5050 0.222 Uiso 1 1 calc R . . . .
H10K H 0.3952 0.5425 0.4997 0.222 Uiso 1 1 calc R . . . .
C110 C 0.3648(3) 0.5390(4) 0.4381(3) 0.127(4) Uani 1 1 d . . . . .
H11D H 0.3617 0.5086 0.4365 0.191 Uiso 1 1 calc R . . . .
H11E H 0.3496 0.5510 0.4479 0.191 Uiso 1 1 calc R . . . .
H11F H 0.3581 0.5509 0.4168 0.191 Uiso 1 1 calc R . . . .
C111 C 0.35286(17) 0.41731(19) 0.31474(15) 0.0522(16) Uani 1 1 d . . . . .
H11G H 0.3310 0.4266 0.2967 0.063 Uiso 1 1 calc R . . . .
H11H H 0.3613 0.3914 0.3081 0.063 Uiso 1 1 calc R . . . .
C112 C 0.34383(17) 0.4075(2) 0.34230(16) 0.0584(17) Uani 1 1 d . . . . .
C113 C 0.3378(2) 0.4387(2) 0.36066(19) 0.072(2) Uani 1 1 d . . . . .
H113 H 0.3399 0.4673 0.3558 0.086 Uiso 1 1 calc R . . . .
C114 C 0.3289(3) 0.4292(3) 0.3855(2) 0.092(3) Uani 1 1 d . . . . .
H114 H 0.3240 0.4515 0.3969 0.111 Uiso 1 1 calc R . . . .
C115 C 0.3267(2) 0.3880(3) 0.3949(2) 0.086(3) Uani 1 1 d . . . . .
C116 C 0.3325(2) 0.3574(2) 0.37675(19) 0.073(2) Uani 1 1 d . . . . .
H116 H 0.3307 0.3289 0.3819 0.087 Uiso 1 1 calc R . . . .
C117 C 0.34100(18) 0.3664(2) 0.35104(18) 0.0627(18) Uani 1 1 d . . . . .
H117 H 0.3450 0.3441 0.3392 0.075 Uiso 1 1 calc R . . . .
C118 C 0.3192(4) 0.3771(3) 0.4238(3) 0.131(5) Uani 1 1 d . . . . .
C119 C 0.3382(4) 0.3985(5) 0.4501(3) 0.193(8) Uani 1 1 d D . . . .
H11I H 0.3468 0.4246 0.4443 0.290 Uiso 1 1 calc R . . . .
H11J H 0.3233 0.4051 0.4616 0.290 Uiso 1 1 calc R . . . .
H11K H 0.3586 0.3816 0.4636 0.290 Uiso 1 1 calc R . . . .
C120 C 0.2751(5) 0.4050(6) 0.4129(4) 0.255(11) Uani 1 1 d D . . . .
H12C H 0.2574 0.3928 0.3934 0.382 Uiso 1 1 calc R . . . .
H12D H 0.2671 0.4018 0.4302 0.382 Uiso 1 1 calc R . . . .
H12E H 0.2780 0.4348 0.4095 0.382 Uiso 1 1 calc R . . . .
C121 C 0.3016(3) 0.3366(3) 0.4219(2) 0.117(4) Uani 1 1 d D . . . .
H12F H 0.2896 0.3282 0.3995 0.175 Uiso 1 1 calc R . . . .
H12G H 0.3195 0.3154 0.4334 0.175 Uiso 1 1 calc R . . . .
H12H H 0.2841 0.3390 0.4313 0.175 Uiso 1 1 calc R . . . .
C122 C 0.47038(18) 0.37014(18) 0.28262(18) 0.0575(17) Uani 1 1 d . . . . .
H12I H 0.4719 0.3774 0.2622 0.069 Uiso 1 1 calc R . . . .
H12J H 0.4935 0.3775 0.2999 0.069 Uiso 1 1 calc R . . . .
C123 C 0.46488(18) 0.3230(2) 0.28337(17) 0.0560(17) Uani 1 1 d . . . . .
C124 C 0.4938(2) 0.2983(2) 0.2994(2) 0.085(2) Uani 1 1 d . . . . .
H124 H 0.5164 0.3110 0.3105 0.102 Uiso 1 1 calc R . . . .
C125 C 0.4908(2) 0.2550(2) 0.2999(2) 0.090(3) Uani 1 1 d . . . . .
H125 H 0.5115 0.2387 0.3109 0.109 Uiso 1 1 calc R . . . .
C126 C 0.4591(2) 0.2354(2) 0.2851(2) 0.071(2) Uani 1 1 d . . . . .
C127 C 0.4296(2) 0.2602(2) 0.2697(2) 0.071(2) Uani 1 1 d . . . . .
H127 H 0.4069 0.2474 0.2598 0.085 Uiso 1 1 calc R . . . .
C128 C 0.4323(2) 0.3033(2) 0.26833(19) 0.067(2) Uani 1 1 d . . . . .
H128 H 0.4116 0.3194 0.2570 0.081 Uiso 1 1 calc R . . . .
C129 C 0.4545(2) 0.1873(2) 0.2878(2) 0.088(3) Uani 1 1 d . . . . .
C130 C 0.4905(3) 0.1648(3) 0.2987(4) 0.140(5) Uani 1 1 d . . . . .
H13A H 0.5069 0.1767 0.3190 0.209 Uiso 1 1 calc R . . . .
H13B H 0.4872 0.1349 0.3014 0.209 Uiso 1 1 calc R . . . .
H13C H 0.5004 0.1685 0.2827 0.209 Uiso 1 1 calc R . . . .
C131 C 0.4289(3) 0.1700(3) 0.2569(3) 0.113(3) Uani 1 1 d . . . . .
H13D H 0.4061 0.1848 0.2504 0.169 Uiso 1 1 calc R . . . .
H13E H 0.4384 0.1737 0.2407 0.169 Uiso 1 1 calc R . . . .
H13F H 0.4252 0.1400 0.2594 0.169 Uiso 1 1 calc R . . . .
C132 C 0.4401(3) 0.1802(3) 0.3137(3) 0.112(3) Uani 1 1 d . . . . .
H13G H 0.4570 0.1916 0.3340 0.168 Uiso 1 1 calc R . . . .
H13H H 0.4171 0.1945 0.3076 0.168 Uiso 1 1 calc R . . . .
H13I H 0.4370 0.1502 0.3161 0.168 Uiso 1 1 calc R . . . .
C133 C 0.28607(18) 0.4432(2) 0.14046(17) 0.0599(18) Uani 1 1 d . . . . .
H13J H 0.2993 0.4279 0.1605 0.072 Uiso 1 1 calc R . . . .
H13K H 0.2653 0.4570 0.1422 0.072 Uiso 1 1 calc R . . . .
C134 C 0.2734(2) 0.4127(2) 0.11301(19) 0.0653(19) Uani 1 1 d . . . . .
C135 C 0.2879(2) 0.3722(2) 0.1170(2) 0.076(2) Uani 1 1 d . . . . .
H135 H 0.3057 0.3640 0.1370 0.091 Uiso 1 1 calc R . . . .
C136 C 0.2764(2) 0.3437(3) 0.0918(2) 0.085(2) Uani 1 1 d . . . . .
H136 H 0.2867 0.3166 0.0948 0.101 Uiso 1 1 calc R . . . .
C137 C 0.2506(2) 0.3543(3) 0.0627(2) 0.078(2) Uani 1 1 d . . . . .
C138 C 0.2368(2) 0.3945(3) 0.0591(2) 0.090(3) Uani 1 1 d . . . . .
H138 H 0.2193 0.4028 0.0390 0.108 Uiso 1 1 calc R . . . .
C139 C 0.2480(2) 0.4231(3) 0.0843(2) 0.082(2) Uani 1 1 d . . . . .
H139 H 0.2376 0.4502 0.0812 0.098 Uiso 1 1 calc R . . . .
C140 C 0.2374(3) 0.3233(3) 0.0335(2) 0.105(3) Uani 1 1 d . . . . .
C141 C 0.1968(3) 0.3184(4) 0.0230(3) 0.145(5) Uani 1 1 d . . . . .
H14A H 0.1919 0.3066 0.0406 0.218 Uiso 1 1 calc R . . . .
H14B H 0.1854 0.3459 0.0173 0.218 Uiso 1 1 calc R . . . .
H14C H 0.1874 0.2997 0.0046 0.218 Uiso 1 1 calc R . . . .
C142 C 0.2456(3) 0.3418(4) 0.0064(3) 0.122(4) Uani 1 1 d . . . . .
H14D H 0.2714 0.3447 0.0133 0.184 Uiso 1 1 calc R . . . .
H14E H 0.2363 0.3231 -0.0120 0.184 Uiso 1 1 calc R . . . .
H14F H 0.2343 0.3693 0.0006 0.184 Uiso 1 1 calc R . . . .
C143 C 0.2562(4) 0.2804(3) 0.0433(3) 0.147(5) Uani 1 1 d . . . . .
H14G H 0.2510 0.2685 0.0607 0.221 Uiso 1 1 calc R . . . .
H14H H 0.2476 0.2613 0.0251 0.221 Uiso 1 1 calc R . . . .
H14I H 0.2820 0.2842 0.0505 0.221 Uiso 1 1 calc R . . . .
C144 C 0.42263(17) 0.37050(18) 0.18635(17) 0.0529(16) Uani 1 1 d . . . . .
H14J H 0.4327 0.3824 0.1719 0.064 Uiso 1 1 calc R . . . .
H14K H 0.4425 0.3660 0.2073 0.064 Uiso 1 1 calc R . . . .
C145 C 0.40519(19) 0.32890(19) 0.17329(18) 0.0579(18) Uani 1 1 d . . . . .
C146 C 0.4186(2) 0.2925(2) 0.19083(19) 0.0684(19) Uani 1 1 d . . . . .
H146 H 0.4379 0.2944 0.2111 0.082 Uiso 1 1 calc R . . . .
C147 C 0.4041(2) 0.2530(2) 0.1788(2) 0.079(2) Uani 1 1 d . . . . .
H147 H 0.4134 0.2285 0.1912 0.095 Uiso 1 1 calc R . . . .
C148 C 0.3766(2) 0.2496(2) 0.1493(2) 0.072(2) Uani 1 1 d . . . . .
C149 C 0.3632(2) 0.2862(2) 0.1321(2) 0.073(2) Uani 1 1 d . . . . .
H149 H 0.3441 0.2843 0.1117 0.088 Uiso 1 1 calc R . . . .
C150 C 0.37719(19) 0.3255(2) 0.14390(17) 0.0591(17) Uani 1 1 d . . . . .
H150 H 0.3674 0.3500 0.1317 0.071 Uiso 1 1 calc R . . . .
C151 C 0.3632(3) 0.2050(3) 0.1359(3) 0.096(3) Uani 1 1 d . . . . .
C152 C 0.3946(3) 0.1820(3) 0.1322(3) 0.144(5) Uani 1 1 d . . . . .
H15A H 0.4149 0.1807 0.1528 0.216 Uiso 1 1 calc R . . . .
H15B H 0.3872 0.1535 0.1244 0.216 Uiso 1 1 calc R . . . .
H15C H 0.4014 0.1972 0.1170 0.216 Uiso 1 1 calc R . . . .
C153 C 0.3315(3) 0.2072(3) 0.1042(3) 0.119(4) Uani 1 1 d . . . . .
H15D H 0.3384 0.2217 0.0887 0.179 Uiso 1 1 calc R . . . .
H15E H 0.3236 0.1787 0.0966 0.179 Uiso 1 1 calc R . . . .
H15F H 0.3121 0.2225 0.1067 0.179 Uiso 1 1 calc R . . . .
C154 C 0.3520(3) 0.1821(3) 0.1600(3) 0.115(3) Uani 1 1 d . . . . .
H15G H 0.3723 0.1805 0.1806 0.173 Uiso 1 1 calc R . . . .
H15H H 0.3325 0.1975 0.1623 0.173 Uiso 1 1 calc DR . . . .
H15I H 0.3440 0.1537 0.1523 0.173 Uiso 1 1 calc R . . . .
C155 C 0.70576(19) 0.7051(2) 0.2466(2) 0.079(2) Uani 1 1 d . . . . .
C156 C 0.7119(3) 0.7306(3) 0.2245(2) 0.104(3) Uani 1 1 d . . . . .
H156 H 0.7343 0.7293 0.2229 0.124 Uiso 1 1 calc R . . . .
C157 C 0.6863(4) 0.7575(4) 0.2051(3) 0.124(4) Uani 1 1 d . . . . .
H157 H 0.6909 0.7744 0.1902 0.149 Uiso 1 1 calc R . . . .
C158 C 0.6541(3) 0.7598(4) 0.2072(4) 0.139(5) Uani 1 1 d . . . . .
H158 H 0.6361 0.7777 0.1933 0.167 Uiso 1 1 calc R . . . .
C159 C 0.6475(3) 0.7359(3) 0.2299(4) 0.138(5) Uani 1 1 d . . . . .
H159 H 0.6255 0.7386 0.2320 0.166 Uiso 1 1 calc R . . . .
C160 C 0.6731(2) 0.7083(3) 0.2493(3) 0.111(4) Uani 1 1 d . . . . .
H160 H 0.6685 0.6916 0.2643 0.133 Uiso 1 1 calc R . . . .
C161 C 0.76020(19) 0.6963(2) 0.3091(2) 0.072(2) Uani 1 1 d . . . . .
C162 C 0.7615(2) 0.7394(3) 0.3110(2) 0.088(3) Uani 1 1 d . . . . .
H162 H 0.7493 0.7556 0.2924 0.105 Uiso 1 1 calc R . . . .
C163 C 0.7802(3) 0.7590(3) 0.3393(3) 0.101(3) Uani 1 1 d . . . . .
H163 H 0.7808 0.7887 0.3403 0.121 Uiso 1 1 calc R . . . .
C164 C 0.7981(2) 0.7362(3) 0.3662(2) 0.090(3) Uani 1 1 d . . . . .
H164 H 0.8110 0.7501 0.3857 0.108 Uiso 1 1 calc R . . . .
C165 C 0.7975(2) 0.6930(3) 0.3651(2) 0.086(2) Uani 1 1 d . . . . .
H165 H 0.8101 0.6771 0.3838 0.103 Uiso 1 1 calc R . . . .
C166 C 0.7784(2) 0.6732(3) 0.3366(2) 0.076(2) Uani 1 1 d . . . . .
H166 H 0.7778 0.6434 0.3357 0.091 Uiso 1 1 calc R . . . .
C167 C 0.7705(2) 0.6630(2) 0.2560(2) 0.070(2) Uani 1 1 d . . . . .
C168 C 0.7612(2) 0.6526(3) 0.2244(2) 0.089(3) Uani 1 1 d . . . . .
H168 H 0.7368 0.6483 0.2109 0.106 Uiso 1 1 calc R . . . .
C169 C 0.7874(3) 0.6484(3) 0.2121(3) 0.100(3) Uani 1 1 d . . . . .
H169 H 0.7805 0.6412 0.1904 0.119 Uiso 1 1 calc R . . . .
C170 C 0.8218(3) 0.6544(3) 0.2306(3) 0.089(3) Uani 1 1 d . . . . .
H170 H 0.8392 0.6513 0.2219 0.107 Uiso 1 1 calc R . . . .
C171 C 0.8321(3) 0.6650(3) 0.2618(3) 0.090(3) Uani 1 1 d . . . . .
H171 H 0.8566 0.6693 0.2749 0.108 Uiso 1 1 calc R . . . .
C172 C 0.8068(2) 0.6695(2) 0.2742(2) 0.078(2) Uani 1 1 d . . . . .
H172 H 0.8143 0.6773 0.2958 0.093 Uiso 1 1 calc R . . . .
C173 C 0.59445(19) 0.7249(2) 0.39201(17) 0.0621(18) Uani 1 1 d . . . . .
C174 C 0.5926(2) 0.7684(2) 0.3966(2) 0.075(2) Uani 1 1 d . . . . .
H174 H 0.6125 0.7857 0.3994 0.090 Uiso 1 1 calc R . . . .
C175 C 0.5620(2) 0.7857(3) 0.3970(2) 0.086(3) Uani 1 1 d . . . . .
H175 H 0.5615 0.8150 0.4005 0.103 Uiso 1 1 calc R . . . .
C176 C 0.5327(2) 0.7626(2) 0.3926(2) 0.076(2) Uani 1 1 d . . . . .
H176 H 0.5118 0.7755 0.3926 0.091 Uiso 1 1 calc R . . . .
C177 C 0.53382(19) 0.7196(2) 0.38811(18) 0.0670(19) Uani 1 1 d . . . . .
H177 H 0.5137 0.7028 0.3855 0.080 Uiso 1 1 calc R . . . .
C178 C 0.56371(18) 0.7011(2) 0.38745(17) 0.0615(18) Uani 1 1 d . . . . .
H178 H 0.5637 0.6718 0.3838 0.074 Uiso 1 1 calc R . . . .
C179 C 0.65854(19) 0.6847(2) 0.43197(17) 0.0608(18) Uani 1 1 d . . . . .
C180 C 0.6514(3) 0.6982(3) 0.4577(2) 0.090(3) Uani 1 1 d . . . . .
H180 H 0.6315 0.7159 0.4541 0.108 Uiso 1 1 calc R . . . .
C181 C 0.6726(3) 0.6863(3) 0.4879(2) 0.107(3) Uani 1 1 d . . . . .
H181 H 0.6672 0.6958 0.5051 0.128 Uiso 1 1 calc R . . . .
C182 C 0.7015(3) 0.6609(3) 0.4940(2) 0.091(3) Uani 1 1 d . . . . .
H182 H 0.7163 0.6533 0.5152 0.109 Uiso 1 1 calc R . . . .
C183 C 0.7087(2) 0.6467(3) 0.4695(2) 0.078(2) Uani 1 1 d . . . . .
H183 H 0.7286 0.6288 0.4735 0.094 Uiso 1 1 calc R . . . .
C184 C 0.6875(2) 0.6582(2) 0.43863(19) 0.069(2) Uani 1 1 d . . . . .
H184 H 0.6927 0.6477 0.4217 0.083 Uiso 1 1 calc R . . . .
C185 C 0.65843(18) 0.7411(2) 0.38428(18) 0.0587(18) Uani 1 1 d . . . . .
C186 C 0.6835(2) 0.7651(2) 0.4090(2) 0.071(2) Uani 1 1 d . . . . .
H186 H 0.6877 0.7591 0.4305 0.086 Uiso 1 1 calc R . . . .
C187 C 0.7021(2) 0.7973(2) 0.4023(2) 0.082(2) Uani 1 1 d . . . . .
H187 H 0.7192 0.8129 0.4191 0.098 Uiso 1 1 calc R . . . .
C188 C 0.6961(2) 0.8065(3) 0.3715(3) 0.090(3) Uani 1 1 d . . . . .
H188 H 0.7087 0.8288 0.3671 0.108 Uiso 1 1 calc R . . . .
C189 C 0.6718(2) 0.7837(3) 0.3467(2) 0.083(2) Uani 1 1 d . . . . .
H189 H 0.6680 0.7901 0.3254 0.100 Uiso 1 1 calc R . . . .
C190 C 0.6528(2) 0.7508(2) 0.35324(19) 0.0676(19) Uani 1 1 d . . . . .
H190 H 0.6359 0.7352 0.3362 0.081 Uiso 1 1 calc R . . . .
C191 C 0.4597(2) 0.3758(2) 0.41241(17) 0.0621(18) Uani 1 1 d . . . . .
C192 C 0.4344(2) 0.4002(2) 0.41750(19) 0.0679(19) Uani 1 1 d . . . . .
H192 H 0.4143 0.4103 0.4000 0.081 Uiso 1 1 calc R . . . .
C193 C 0.4388(3) 0.4099(3) 0.4486(2) 0.084(3) Uani 1 1 d . . . . .
H193 H 0.4217 0.4263 0.4525 0.100 Uiso 1 1 calc R . . . .
C194 C 0.4690(3) 0.3949(3) 0.4739(2) 0.095(3) Uani 1 1 d . . . . .
H194 H 0.4725 0.4012 0.4952 0.114 Uiso 1 1 calc R . . . .
C195 C 0.4932(3) 0.3714(4) 0.4683(3) 0.103(3) Uani 1 1 d . . . . .
H195 H 0.5137 0.3617 0.4857 0.124 Uiso 1 1 calc R . . . .
C196 C 0.4890(2) 0.3612(3) 0.4383(2) 0.078(2) Uani 1 1 d . . . . .
H196 H 0.5061 0.3441 0.4350 0.094 Uiso 1 1 calc R . . . .
C197 C 0.42000(19) 0.3234(2) 0.35966(19) 0.0618(18) Uani 1 1 d . . . . .
C198 C 0.4119(2) 0.2996(2) 0.3815(2) 0.076(2) Uani 1 1 d . . . . .
H198 H 0.4235 0.3054 0.4036 0.091 Uiso 1 1 calc R . . . .
C199 C 0.3867(2) 0.2673(2) 0.3709(2) 0.083(2) Uani 1 1 d . . . . .
H199 H 0.3814 0.2512 0.3858 0.100 Uiso 1 1 calc R . . . .
C200 C 0.3697(2) 0.2589(3) 0.3389(3) 0.086(2) Uani 1 1 d . . . . .
H200 H 0.3523 0.2373 0.3319 0.103 Uiso 1 1 calc R . . . .
C201 C 0.3775(2) 0.2813(3) 0.3167(2) 0.082(2) Uani 1 1 d . . . . .
H201 H 0.3664 0.2748 0.2947 0.098 Uiso 1 1 calc R . . . .
C202 C 0.4026(2) 0.3144(2) 0.3277(2) 0.069(2) Uani 1 1 d . . . . .
H202 H 0.4076 0.3308 0.3127 0.083 Uiso 1 1 calc R . . . .
C203 C 0.49251(18) 0.3371(2) 0.37504(17) 0.0611(18) Uani 1 1 d . . . . .
C204 C 0.4959(2) 0.2932(2) 0.3772(2) 0.088(3) Uani 1 1 d . . . . .
H204 H 0.4763 0.2765 0.3762 0.106 Uiso 1 1 calc R . . . .
C205 C 0.5273(3) 0.2742(3) 0.3806(2) 0.097(3) Uani 1 1 d . . . . .
H205 H 0.5292 0.2445 0.3826 0.116 Uiso 1 1 calc R . . . .
C206 C 0.5560(2) 0.2971(2) 0.3814(2) 0.080(2) Uani 1 1 d . . . . .
H206 H 0.5771 0.2833 0.3827 0.095 Uiso 1 1 calc R . . . .
C207 C 0.5540(2) 0.3406(2) 0.38007(18) 0.0683(19) Uani 1 1 d . . . . .
H207 H 0.5741 0.3567 0.3816 0.082 Uiso 1 1 calc R . . . .
C208 C 0.52241(19) 0.3605(2) 0.37657(16) 0.0617(18) Uani 1 1 d . . . . .
H208 H 0.5210 0.3902 0.3752 0.074 Uiso 1 1 calc R . . . .
C209 C 0.2303(2) 0.3986(2) 0.1874(2) 0.074(2) Uani 1 1 d . . . . .
C210 C 0.2039(2) 0.4285(3) 0.1826(2) 0.086(2) Uani 1 1 d . . . . .
H210 H 0.2044 0.4445 0.2002 0.104 Uiso 1 1 calc R . . . .
C211 C 0.1775(2) 0.4355(3) 0.1537(3) 0.100(3) Uani 1 1 d . . . . .
H211 H 0.1597 0.4559 0.1513 0.120 Uiso 1 1 calc R . . . .
C212 C 0.1765(3) 0.4124(4) 0.1274(3) 0.108(3) Uani 1 1 d . . . . .
H212 H 0.1586 0.4175 0.1068 0.130 Uiso 1 1 calc R . . . .
C213 C 0.2025(3) 0.3819(4) 0.1322(2) 0.106(3) Uani 1 1 d . . . . .
H213 H 0.2020 0.3655 0.1148 0.127 Uiso 1 1 calc R . . . .
C214 C 0.2289(2) 0.3752(3) 0.1619(2) 0.082(2) Uani 1 1 d . . . . .
H214 H 0.2464 0.3542 0.1648 0.098 Uiso 1 1 calc R . . . .
C215 C 0.24239(19) 0.3747(2) 0.2509(2) 0.0670(19) Uani 1 1 d . . . . .
C216 C 0.2602(2) 0.3746(2) 0.2832(2) 0.077(2) Uani 1 1 d . . . . .
H216 H 0.2842 0.3838 0.2922 0.092 Uiso 1 1 calc R . . . .
C217 C 0.2446(2) 0.3615(3) 0.3036(2) 0.082(2) Uani 1 1 d . . . . .
H217 H 0.2577 0.3623 0.3259 0.099 Uiso 1 1 calc R . . . .
C218 C 0.2100(3) 0.3474(3) 0.2907(3) 0.095(3) Uani 1 1 d . . . . .
H218 H 0.1989 0.3387 0.3044 0.114 Uiso 1 1 calc R . . . .
C219 C 0.1913(2) 0.3458(3) 0.2584(3) 0.091(3) Uani 1 1 d . . . . .
H219 H 0.1675 0.3358 0.2497 0.110 Uiso 1 1 calc R . . . .
C220 C 0.2072(2) 0.3587(3) 0.2381(2) 0.084(2) Uani 1 1 d . . . . .
H220 H 0.1944 0.3567 0.2157 0.100 Uiso 1 1 calc R . . . .
C221 C 0.29053(19) 0.3485(2) 0.22445(19) 0.068(2) Uani 1 1 d . . . . .
C222 C 0.2842(2) 0.3074(3) 0.2326(3) 0.096(3) Uani 1 1 d . . . . .
H222 H 0.2661 0.3031 0.2403 0.115 Uiso 1 1 calc R . . . .
C223 C 0.3034(3) 0.2736(3) 0.2297(2) 0.096(3) Uani 1 1 d . . . . .
H223 H 0.2991 0.2466 0.2360 0.115 Uiso 1 1 calc R . . . .
C224 C 0.3290(2) 0.2788(3) 0.2178(2) 0.088(2) Uani 1 1 d . . . . .
H224 H 0.3419 0.2553 0.2154 0.105 Uiso 1 1 calc R . . . .
C225 C 0.3360(2) 0.3187(2) 0.2090(2) 0.079(2) Uani 1 1 d . . . . .
H225 H 0.3531 0.3224 0.2000 0.095 Uiso 1 1 calc R . . . .
C226 C 0.31748(19) 0.3530(2) 0.21366(18) 0.0680(19) Uani 1 1 d . . . . .
H226 H 0.3235 0.3804 0.2093 0.082 Uiso 1 1 calc R . . . .
C255 C 0.9587(9) 0.4504(18) 0.7146(12) 0.67(4) Uiso 1 1 d D U . . .
H25A H 0.9776 0.4312 0.7278 1.007 Uiso 1 1 calc R . . . .
H25B H 0.9659 0.4640 0.6990 1.007 Uiso 1 1 calc R . . . .
H25C H 0.9547 0.4717 0.7282 1.007 Uiso 1 1 calc R . . . .
C256 C 0.9227(8) 0.4245(9) 0.6965(10) 0.43(2) Uiso 1 1 d D U . . .
H25D H 0.9268 0.4027 0.6830 0.510 Uiso 1 1 calc R . . . .
H25E H 0.9156 0.4104 0.7123 0.510 Uiso 1 1 calc R . . . .
C257 C 0.8941(8) 0.4522(11) 0.6767(7) 0.387(17) Uiso 1 1 d D U . . .
H25F H 0.8883 0.4440 0.6544 0.464 Uiso 1 1 calc R . . . .
H25G H 0.9044 0.4807 0.6793 0.464 Uiso 1 1 calc R . . . .
C258 C 0.8595(7) 0.4563(9) 0.6800(8) 0.363(15) Uiso 1 1 d D U . . .
H25H H 0.8634 0.4551 0.7027 0.436 Uiso 1 1 calc R . . . .
H25I H 0.8433 0.4331 0.6687 0.436 Uiso 1 1 calc R . . . .
C259 C 0.8430(8) 0.4991(10) 0.6654(10) 0.430(19) Uiso 1 1 d D U . . .
H25J H 0.8573 0.5214 0.6799 0.516 Uiso 1 1 calc R . . . .
H25K H 0.8459 0.5024 0.6451 0.516 Uiso 1 1 calc R . . . .
C260 C 0.8059(8) 0.5063(10) 0.6591(12) 0.47(2) Uiso 1 1 d D U . . .
H26A H 0.8024 0.5003 0.6788 0.570 Uiso 1 1 calc R . . . .
H26B H 0.7913 0.4861 0.6428 0.570 Uiso 1 1 calc R . . . .
C261 C 0.7917(8) 0.5507(10) 0.6478(8) 0.385(19) Uiso 1 1 d D U . . .
H26C H 0.7665 0.5522 0.6443 0.578 Uiso 1 1 calc R . . . .
H26D H 0.8053 0.5711 0.6640 0.578 Uiso 1 1 calc R . . . .
H26E H 0.7942 0.5569 0.6279 0.578 Uiso 1 1 calc R . . . .
C248 C 0.4838(11) 1.0054(11) 0.6500(9) 0.45(2) Uiso 1 1 d D U . . .
H24A H 0.4734 1.0331 0.6429 0.668 Uiso 1 1 calc R . . . .
H24B H 0.4764 0.9951 0.6665 0.668 Uiso 1 1 calc R . . . .
H24C H 0.5098 1.0073 0.6585 0.668 Uiso 1 1 calc R . . . .
C249 C 0.4711(13) 0.9760(10) 0.6226(8) 0.51(3) Uiso 1 1 d D U . . .
H24D H 0.4779 0.9879 0.6060 0.618 Uiso 1 1 calc R . . . .
H24E H 0.4448 0.9758 0.6139 0.618 Uiso 1 1 calc R . . . .
C250 C 0.4834(11) 0.9311(11) 0.6275(9) 0.51(2) Uiso 1 1 d D U . . .
H25L H 0.4848 0.9210 0.6483 0.609 Uiso 1 1 calc R . . . .
H25M H 0.5075 0.9289 0.6274 0.609 Uiso 1 1 calc R . . . .
C251 C 0.4562(10) 0.9030(12) 0.5999(11) 0.61(3) Uiso 1 1 d D U . . .
H25N H 0.4337 0.9001 0.6028 0.726 Uiso 1 1 calc R . . . .
H25O H 0.4508 0.9166 0.5790 0.726 Uiso 1 1 calc R . . . .
C252 C 0.4725(12) 0.8601(12) 0.6005(8) 0.57(3) Uiso 1 1 d D U . . .
H25P H 0.4700 0.8430 0.6175 0.688 Uiso 1 1 calc R . . . .
H25Q H 0.4982 0.8633 0.6056 0.688 Uiso 1 1 calc R . . . .
C253 C 0.4543(8) 0.8369(11) 0.5682(8) 0.41(2) Uiso 1 1 d D U . . .
H25R H 0.4449 0.8569 0.5502 0.495 Uiso 1 1 calc R . . . .
H25S H 0.4347 0.8186 0.5680 0.495 Uiso 1 1 calc R . . . .
C254 C 0.4877(10) 0.8097(12) 0.5673(9) 0.43(2) Uiso 1 1 d D U . . .
H25T H 0.4797 0.7932 0.5476 0.646 Uiso 1 1 calc R . . . .
H25U H 0.5068 0.8288 0.5680 0.646 Uiso 1 1 calc R . . . .
H25V H 0.4967 0.7908 0.5856 0.646 Uiso 1 1 calc R . . . .
C262 C 0.5804(6) 1.0325(8) 0.5885(6) 0.079(7) Uiso 0.3 1 d D U . E 1
H26F H 0.5896 1.0473 0.6089 0.118 Uiso 0.3 1 calc R . . E 1
H26G H 0.5949 1.0075 0.5900 0.118 Uiso 0.3 1 calc R . . E 1
H26H H 0.5813 1.0510 0.5718 0.118 Uiso 0.3 1 calc R . . E 1
C263 C 0.5424(7) 1.0195(12) 0.5804(8) 0.129(12) Uiso 0.3 1 d D U . E 1
H26I H 0.5416 1.0013 0.5975 0.154 Uiso 0.3 1 calc R . . E 1
H26J H 0.5280 1.0448 0.5793 0.154 Uiso 0.3 1 calc R . . E 1
C264 C 0.5262(11) 0.9965(17) 0.5493(9) 0.21(2) Uiso 0.3 1 d D U . E 1
H26K H 0.5435 0.9757 0.5481 0.252 Uiso 0.3 1 calc R . . E 1
H26L H 0.5212 1.0167 0.5316 0.252 Uiso 0.3 1 calc R . . E 1
C265 C 0.4918(11) 0.9742(19) 0.5451(14) 0.24(2) Uiso 0.3 1 d D U . E 1
H26M H 0.4715 0.9940 0.5365 0.292 Uiso 0.3 1 calc R . . E 1
H26N H 0.4933 0.9640 0.5659 0.292 Uiso 0.3 1 calc R . . E 1
C266 C 0.4857(17) 0.9366(18) 0.5219(18) 0.28(3) Uiso 0.3 1 d D U . E 1
H26O H 0.4620 0.9309 0.5219 0.332 Uiso 0.3 1 calc R . . E 1
H26P H 0.4802 0.9558 0.5036 0.332 Uiso 0.3 1 calc R . . E 1
C267 C 0.4828(17) 0.898(2) 0.501(2) 0.29(3) Uiso 0.3 1 d D U . E 1
H26Q H 0.4898 0.9055 0.4831 0.350 Uiso 0.3 1 calc R . . E 1
H26R H 0.4990 0.8755 0.5134 0.350 Uiso 0.3 1 calc R . . E 1
C268 C 0.444(2) 0.882(3) 0.487(2) 0.34(5) Uiso 0.3 1 d D U . E 1
H26S H 0.4420 0.8572 0.4737 0.516 Uiso 0.3 1 calc R . . E 1
H26T H 0.4373 0.8740 0.5046 0.516 Uiso 0.3 1 calc R . . E 1
H26U H 0.4281 0.9039 0.4744 0.516 Uiso 0.3 1 calc R . . E 1
C234 C 0.1392(9) 0.6081(8) 0.4470(8) 0.40(2) Uiso 1 1 d D U . . .
H23C H 0.1477 0.6361 0.4449 0.593 Uiso 1 1 calc R . . . .
H23D H 0.1131 0.6077 0.4369 0.593 Uiso 1 1 calc R . . . .
H23E H 0.1471 0.6011 0.4695 0.593 Uiso 1 1 calc R . . . .
C235 C 0.1542(6) 0.5758(7) 0.4306(6) 0.263(10) Uiso 1 1 d D U . . .
H23F H 0.1464 0.5828 0.4078 0.315 Uiso 1 1 calc R . . . .
H23G H 0.1806 0.5762 0.4406 0.315 Uiso 1 1 calc R . . . .
C236 C 0.1403(9) 0.5324(7) 0.4343(7) 0.336(14) Uiso 1 1 d D U . . .
H23H H 0.1153 0.5349 0.4321 0.403 Uiso 1 1 calc R . . . .
H23I H 0.1547 0.5215 0.4559 0.403 Uiso 1 1 calc R . . . .
C237 C 0.1422(12) 0.5010(7) 0.4088(8) 0.45(2) Uiso 1 1 d D U . . .
H23J H 0.1668 0.4993 0.4101 0.540 Uiso 1 1 calc R . . . .
H23K H 0.1264 0.5104 0.3872 0.540 Uiso 1 1 calc R . . . .
C238 C 0.1296(9) 0.4566(7) 0.4164(8) 0.387(17) Uiso 1 1 d D U . . .
H23L H 0.1372 0.4531 0.4396 0.464 Uiso 1 1 calc R . . . .
H23M H 0.1033 0.4543 0.4061 0.464 Uiso 1 1 calc R . . . .
C239 C 0.1470(10) 0.4227(8) 0.4033(10) 0.43(2) Uiso 1 1 d D U . . .
H23N H 0.1410 0.4276 0.3804 0.512 Uiso 1 1 calc R . . . .
H23O H 0.1732 0.4235 0.4148 0.512 Uiso 1 1 calc R . . . .
C240 C 0.1326(9) 0.3808(7) 0.4080(8) 0.348(16) Uiso 1 1 d D U . . .
H24F H 0.1431 0.3584 0.3999 0.522 Uiso 1 1 calc R . . . .
H24G H 0.1388 0.3763 0.4307 0.522 Uiso 1 1 calc R . . . .
H24H H 0.1067 0.3804 0.3965 0.522 Uiso 1 1 calc R . . . .
C227 C 0.2222(8) 0.7519(13) 0.3323(9) 0.78(4) Uiso 1 1 d D U . . .
H22D H 0.1986 0.7515 0.3331 1.169 Uiso 1 1 calc DR . . . .
H22E H 0.2251 0.7780 0.3225 1.169 Uiso 1 1 calc R . . . .
H22F H 0.2243 0.7280 0.3197 1.169 Uiso 1 1 calc R . . . .
C228 C 0.2505(6) 0.7489(10) 0.3654(6) 0.314(13) Uiso 1 1 d D U . . .
H22G H 0.2472 0.7226 0.3755 0.376 Uiso 1 1 calc R . . . .
H22H H 0.2481 0.7727 0.3782 0.376 Uiso 1 1 calc R . . . .
C229 C 0.2878(6) 0.7494(11) 0.3652(6) 0.339(13) Uiso 1 1 d D U . . .
H22I H 0.2921 0.7218 0.3575 0.407 Uiso 1 1 calc R . . . .
H22J H 0.2881 0.7707 0.3496 0.407 Uiso 1 1 calc R . . . .
C230 C 0.3168(6) 0.7580(10) 0.3950(6) 0.312(12) Uiso 1 1 d D U . . .
H23P H 0.3178 0.7354 0.4101 0.374 Uiso 1 1 calc R . . . .
H23Q H 0.3117 0.7844 0.4035 0.374 Uiso 1 1 calc R . . . .
C231 C 0.3536(6) 0.7617(13) 0.3942(6) 0.401(16) Uiso 1 1 d D U . . .
H23R H 0.3528 0.7822 0.3778 0.481 Uiso 1 1 calc R . . . .
H23S H 0.3610 0.7342 0.3889 0.481 Uiso 1 1 calc R . . . .
C232 C 0.3808(7) 0.7763(12) 0.4273(8) 0.44(2) Uiso 1 1 d D U . . .
H23T H 0.3885 0.8055 0.4262 0.527 Uiso 1 1 calc R . . . .
H23U H 0.3699 0.7753 0.4431 0.527 Uiso 1 1 calc R . . . .
C233 C 0.4128(10) 0.7463(16) 0.4370(10) 0.60(4) Uiso 1 1 d D U . . .
H23V H 0.4307 0.7544 0.4579 0.904 Uiso 1 1 calc R . . . .
H23W H 0.4048 0.7176 0.4381 0.904 Uiso 1 1 calc R . . . .
H23X H 0.4233 0.7477 0.4213 0.904 Uiso 1 1 calc R . . . .
C32A C 0.5972(7) 0.8731(9) 0.1696(7) 0.112(8) Uiso 0.4 1 d . . . A 2
H32D H 0.5934 0.8744 0.1893 0.168 Uiso 0.4 1 calc GR . . A 2
H32E H 0.5998 0.9016 0.1629 0.168 Uiso 0.4 1 calc GR . . A 2
H32F H 0.6188 0.8570 0.1733 0.168 Uiso 0.4 1 calc GR . . A 2
C33A C 0.5320(16) 0.872(2) 0.1273(15) 0.25(2) Uiso 0.4 1 d . . . A 2
H33D H 0.5155 0.8529 0.1118 0.368 Uiso 0.4 1 calc R . . A 2
H33E H 0.5221 0.8809 0.1425 0.368 Uiso 0.4 1 calc R . . A 2
H33F H 0.5355 0.8970 0.1162 0.368 Uiso 0.4 1 calc R . . A 2
C31A C 0.5819(14) 0.8465(15) 0.1188(12) 0.197(17) Uiso 0.4 1 d . . . A 2
H31D H 0.6051 0.8326 0.1289 0.295 Uiso 0.4 1 calc R . . A 2
H31E H 0.5661 0.8294 0.1011 0.295 Uiso 0.4 1 calc R . . A 2
H31F H 0.5851 0.8740 0.1109 0.295 Uiso 0.4 1 calc R . . A 2
C68B C 0.3520(8) -0.0237(10) 0.4624(7) 0.262(14) Uiso 0.7 1 d D U . F 2
H68A H 0.3568 -0.0115 0.4446 0.315 Uiso 0.7 1 calc R . . F 2
H68B H 0.3259 -0.0253 0.4557 0.315 Uiso 0.7 1 calc R . . F 2
C65B C 0.3917(13) 0.0374(13) 0.4892(8) 0.43(2) Uiso 0.7 1 d D U . F 2
H65G H 0.3775 0.0629 0.4801 0.513 Uiso 0.7 1 calc R . . F 2
H65H H 0.4034 0.0286 0.4751 0.513 Uiso 0.7 1 calc R . . F 2
C63B C 0.4426(12) 0.0858(15) 0.5196(9) 0.43(3) Uiso 0.7 1 d D U . F 2
H63A H 0.4650 0.0763 0.5184 0.520 Uiso 0.7 1 calc R . . F 2
H63B H 0.4288 0.1022 0.5002 0.520 Uiso 0.7 1 calc R . . F 2
C69B C 0.3683(11) -0.0684(10) 0.4699(10) 0.33(2) Uiso 0.7 1 d D U . F 2
H69A H 0.3577 -0.0861 0.4509 0.502 Uiso 0.7 1 calc R . . F 2
H69B H 0.3941 -0.0668 0.4762 0.502 Uiso 0.7 1 calc R . . F 2
H69C H 0.3633 -0.0806 0.4872 0.502 Uiso 0.7 1 calc R . . F 2
C66B C 0.3677(10) 0.0035(11) 0.4908(8) 0.36(2) Uiso 0.7 1 d D U . F 2
H66G H 0.3479 0.0165 0.4948 0.435 Uiso 0.7 1 calc R . . F 2
H66H H 0.3812 -0.0144 0.5093 0.435 Uiso 0.7 1 calc R . . F 2
C64B C 0.4204(12) 0.0475(11) 0.5225(8) 0.40(2) Uiso 0.7 1 d D U . F 2
H64G H 0.4362 0.0230 0.5310 0.476 Uiso 0.7 1 calc R . . F 2
H64H H 0.4090 0.0542 0.5373 0.476 Uiso 0.7 1 calc R . . F 2
C64A C 0.6151(7) 0.8825(8) 0.2776(7) 0.087(7) Uiso 0.35 1 d . . . C 2
H64D H 0.6355 0.8662 0.2920 0.130 Uiso 0.35 1 calc GR . . C 2
H64E H 0.6215 0.9122 0.2792 0.130 Uiso 0.35 1 calc GR . . C 2
H64F H 0.6085 0.8729 0.2557 0.130 Uiso 0.35 1 calc GR . . C 2
C66A C 0.5543(9) 0.8952(11) 0.2664(9) 0.110(10) Uiso 0.35 1 d . . . C 2
H66D H 0.5473 0.8807 0.2461 0.166 Uiso 0.35 1 calc GR . . C 2
H66E H 0.5612 0.9241 0.2643 0.166 Uiso 0.35 1 calc GR . . C 2
H66F H 0.5341 0.8956 0.2727 0.166 Uiso 0.35 1 calc GR . . C 2
C65A C 0.6019(12) 0.8945(13) 0.3232(10) 0.158(14) Uiso 0.35 1 d . . . C 2
H65D H 0.6210 0.8751 0.3356 0.237 Uiso 0.35 1 calc R . . C 2
H65E H 0.6122 0.9217 0.3219 0.237 Uiso 0.35 1 calc R . . C 2
H65F H 0.5853 0.8978 0.3336 0.237 Uiso 0.35 1 calc R . . C 2
C62B C 0.4505(10) 0.1125(11) 0.5492(9) 0.296(17) Uiso 0.7 1 d D U . F 2
H62A H 0.4327 0.1347 0.5445 0.443 Uiso 0.7 1 calc GR . . F 2
H62B H 0.4742 0.1250 0.5558 0.443 Uiso 0.7 1 calc GR . . F 2
H62C H 0.4498 0.0948 0.5664 0.443 Uiso 0.7 1 calc GR . . F 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
15 1 -8 0.1052
30 26 -11 0.0654
30 29 11 0.0651
30 1 10 0.1058
24 -1 -30 0.0908
-2 25 30 0.0872
-5 0 2 0.0927
-30 -28 17 0.0663
-30 -24 -11 0.0733
-30 1 -10 0.1397
-30 24 7 0.1267
0 -10 -1 0.1207
1 -10 -10 0.0813
1 1 -30 0.1613
1 30 -25 0.1560
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
Cu23 Cu1 Cu22 64.13(3) . .
Cu23 Cu1 Cu24 105.84(4) . .
Cu24 Cu1 Cu22 74.55(3) . .
S12 Cu1 Cu22 51.79(5) . .
S12 Cu1 Cu23 83.53(5) . .
S12 Cu1 Cu24 114.81(6) . .
S12 Cu1 S14 126.97(7) . .
S12 Cu1 S20 130.59(7) . .
S14 Cu1 Cu22 121.52(6) . .
S14 Cu1 Cu23 146.89(6) . .
S14 Cu1 Cu24 53.16(5) . .
S14 Cu1 S20 101.29(7) . .
S20 Cu1 Cu22 114.20(5) . .
S20 Cu1 Cu23 53.95(5) . .
S20 Cu1 Cu24 101.48(5) . .
S5 Cu2 S6 96.75(6) . .
S5 Cu2 S7 104.68(6) . .
S7 Cu2 S6 115.33(7) . .
P2 Cu2 S5 117.95(7) . .
P2 Cu2 S6 111.19(7) . .
P2 Cu2 S7 110.43(7) . .
S10 Cu3 S12 114.31(6) . .
S11 Cu3 S10 105.41(6) . .
S11 Cu3 S12 94.99(7) . .
P3 Cu3 S10 111.21(7) . .
P3 Cu3 S11 120.60(7) . .
P3 Cu3 S12 109.60(7) . .
S1 Cu4 S20 108.04(7) 2_655 .
P4 Cu4 S1 134.40(8) . 2_655
P4 Cu4 S20 117.50(8) . .
Cu7 Cu5 Cu23 61.58(3) . 2_655
S1 Cu5 Cu7 109.27(6) . .
S1 Cu5 Cu23 99.36(6) . 2_655
S1 Cu5 S11 114.64(7) . 2_655
S2 Cu5 Cu7 56.44(5) . .
S2 Cu5 Cu23 109.21(6) . 2_655
S2 Cu5 S1 129.92(8) . .
S2 Cu5 S11 115.44(7) . 2_655
S11 Cu5 Cu7 105.31(5) 2_655 .
S11 Cu5 Cu23 54.28(5) 2_655 2_655
Cu7 Cu6 Cu8 67.06(4) . .
Cu7 Cu6 Cu19 89.07(4) . 2_655
Cu8 Cu6 Cu19 68.58(3) . 2_655
S2 Cu6 Cu7 56.50(5) . .
S2 Cu6 Cu8 123.04(6) . .
S2 Cu6 Cu19 101.90(6) . 2_655
S2 Cu6 S3 120.29(7) . .
S2 Cu6 S9 130.85(7) . 2_655
S3 Cu6 Cu7 82.36(5) . .
S3 Cu6 Cu8 53.62(5) . .
S3 Cu6 Cu19 120.23(5) . 2_655
S9 Cu6 Cu7 140.91(6) 2_655 .
S9 Cu6 Cu8 89.02(5) 2_655 .
S9 Cu6 Cu19 52.60(5) 2_655 2_655
S9 Cu6 S3 108.62(7) 2_655 .
Cu5 Cu7 Cu6 103.58(4) . .
Cu5 Cu7 Cu8 145.25(5) . .
Cu5 Cu7 Cu10 81.66(4) . .
Cu5 Cu7 Cu23 59.78(3) . 2_655
Cu6 Cu7 Cu8 57.50(3) . .
Cu6 Cu7 Cu10 173.84(5) . .
Cu6 Cu7 Cu23 122.68(5) . 2_655
Cu10 Cu7 Cu8 119.64(4) . .
Cu10 Cu7 Cu23 62.68(3) . 2_655
Cu23 Cu7 Cu8 103.51(4) 2_655 .
S2 Cu7 Cu5 54.57(5) . .
S2 Cu7 Cu6 53.93(5) . .
S2 Cu7 Cu8 111.02(6) . .
S2 Cu7 Cu10 129.34(6) . .
S2 Cu7 Cu23 106.09(6) . 2_655
S2 Cu7 S19 108.51(7) . 2_655
S15 Cu7 Cu5 118.54(6) . .
S15 Cu7 Cu6 119.97(6) . .
S15 Cu7 Cu8 95.97(5) . .
S15 Cu7 Cu10 54.04(5) . .
S15 Cu7 Cu23 115.18(6) . 2_655
S15 Cu7 S2 123.03(7) . .
S15 Cu7 S19 126.89(7) . 2_655
S19 Cu7 Cu5 100.40(5) 2_655 .
S19 Cu7 Cu6 79.55(5) 2_655 .
S19 Cu7 Cu8 50.70(4) 2_655 .
S19 Cu7 Cu10 102.88(6) 2_655 .
S19 Cu7 Cu23 54.94(5) 2_655 2_655
Cu6 Cu8 Cu7 55.44(3) . .
Cu6 Cu8 Cu9 96.00(4) . .
Cu6 Cu8 Cu26 160.98(4) . .
Cu7 Cu8 Cu26 139.29(4) . .
Cu9 Cu8 Cu7 70.38(3) . .
Cu9 Cu8 Cu26 100.97(4) . .
Cu21 Cu8 Cu6 123.92(4) 2_655 .
Cu21 Cu8 Cu7 73.02(4) 2_655 .
Cu21 Cu8 Cu9 85.19(4) 2_655 .
Cu21 Cu8 Cu26 66.55(4) 2_655 .
S3 Cu8 Cu6 54.69(5) . .
S3 Cu8 Cu7 76.18(5) . .
S3 Cu8 Cu9 53.68(5) . .
S3 Cu8 Cu21 135.06(6) . 2_655
S3 Cu8 Cu26 131.75(6) . .
S3 Cu8 S17 115.11(7) . 2_655
S3 Cu8 S19 124.33(7) . 2_655
S17 Cu8 Cu6 115.68(6) 2_655 .
S17 Cu8 Cu7 159.61(6) 2_655 .
S17 Cu8 Cu9 129.99(6) 2_655 .
S17 Cu8 Cu21 104.78(6) 2_655 2_655
S17 Cu8 Cu26 45.90(4) 2_655 .
S17 Cu8 S19 111.24(7) 2_655 2_655
S19 Cu8 Cu6 78.53(5) 2_655 .
S19 Cu8 Cu7 51.22(5) 2_655 .
S19 Cu8 Cu9 112.36(6) 2_655 .
S19 Cu8 Cu21 50.56(5) 2_655 2_655
S19 Cu8 Cu26 102.53(5) 2_655 .
Cu8 Cu9 Cu13 76.33(4) . .
Cu11 Cu9 Cu8 104.91(4) . .
Cu11 Cu9 Cu13 60.86(3) . .
S3 Cu9 Cu8 53.68(5) . .
S3 Cu9 Cu11 146.54(6) . .
S3 Cu9 Cu13 124.54(6) . .
S3 Cu9 S15 101.39(7) . .
S6 Cu9 Cu8 118.03(6) . .
S6 Cu9 Cu11 79.58(5) . .
S6 Cu9 Cu13 51.76(5) . .
S6 Cu9 S3 131.66(7) . .
S6 Cu9 S15 125.77(7) . .
S15 Cu9 Cu8 100.69(6) . .
S15 Cu9 Cu11 53.47(5) . .
S15 Cu9 Cu13 110.87(5) . .
Cu7 Cu10 Cu20 90.10(4) . .
Cu7 Cu10 Cu23 58.78(3) . 2_655
Cu11 Cu10 Cu7 87.57(4) . .
Cu11 Cu10 Cu20 79.66(4) . .
Cu11 Cu10 Cu23 114.53(4) . 2_655
Cu23 Cu10 Cu20 143.36(5) 2_655 .
Cu25 Cu10 Cu7 120.94(5) 2_655 .
Cu25 Cu10 Cu11 64.08(3) 2_655 .
Cu25 Cu10 Cu20 128.98(5) 2_655 .
Cu25 Cu10 Cu23 86.28(4) 2_655 2_655
S4 Cu10 Cu7 137.39(6) . .
S4 Cu10 Cu11 83.48(5) . .
S4 Cu10 Cu20 47.32(5) . .
S4 Cu10 Cu23 158.56(6) . 2_655
S4 Cu10 Cu25 91.96(6) . 2_655
S15 Cu10 Cu7 52.81(5) . .
S15 Cu10 Cu11 53.50(5) . .
S15 Cu10 Cu20 49.53(5) . .
S15 Cu10 Cu23 110.19(6) . 2_655
S15 Cu10 Cu25 116.90(6) . 2_655
S15 Cu10 S4 89.66(7) . .
S20 Cu10 Cu7 110.24(6) 2_655 .
S20 Cu10 Cu11 117.48(6) 2_655 .
S20 Cu10 Cu20 153.02(6) 2_655 .
S20 Cu10 Cu23 51.51(5) 2_655 2_655
S20 Cu10 Cu25 55.25(5) 2_655 2_655
S20 Cu10 S4 110.84(7) 2_655 .
S20 Cu10 S15 157.39(8) 2_655 .
Cu9 Cu11 Cu10 102.85(4) . .
Cu9 Cu11 Cu13 61.41(3) . .
Cu9 Cu11 Cu25 140.26(5) . 2_655
Cu10 Cu11 Cu13 131.14(5) . .
Cu10 Cu11 Cu25 56.32(3) . 2_655
Cu12 Cu11 Cu9 158.09(5) . .
Cu12 Cu11 Cu10 74.05(4) . .
Cu12 Cu11 Cu13 136.87(5) . .
Cu12 Cu11 Cu25 56.19(3) . 2_655
Cu13 Cu11 Cu25 104.60(4) . 2_655
S5 Cu11 Cu9 115.96(6) . .
S5 Cu11 Cu10 124.04(6) . .
S5 Cu11 Cu12 54.77(5) . .
S5 Cu11 Cu13 103.17(5) . .
S5 Cu11 Cu25 103.20(6) . 2_655
S5 Cu11 S16 105.73(7) . .
S15 Cu11 Cu9 55.40(5) . .
S15 Cu11 Cu10 53.89(5) . .
S15 Cu11 Cu12 109.80(6) . .
S15 Cu11 Cu13 113.19(6) . .
S15 Cu11 Cu25 109.61(5) . 2_655
S15 Cu11 S5 121.44(7) . .
S15 Cu11 S16 132.77(7) . .
S16 Cu11 Cu9 107.44(5) . .
S16 Cu11 Cu10 98.64(5) . .
S16 Cu11 Cu12 94.45(5) . .
S16 Cu11 Cu13 52.73(4) . .
S16 Cu11 Cu25 52.38(4) . 2_655
Cu25 Cu12 Cu11 64.90(4) 2_655 .
S4 Cu12 Cu11 89.16(6) . .
S4 Cu12 Cu25 98.44(6) . 2_655
S4 Cu12 S5 110.71(7) . .
S5 Cu12 Cu11 55.01(5) . .
S5 Cu12 Cu25 110.93(6) . 2_655
S13 Cu12 Cu11 116.00(6) 2_655 .
S13 Cu12 Cu25 58.93(5) 2_655 2_655
S13 Cu12 S4 125.84(7) 2_655 .
S13 Cu12 S5 123.14(7) 2_655 .
Cu9 Cu13 Cu26 104.20(4) . .
Cu11 Cu13 Cu9 57.73(3) . .
Cu11 Cu13 Cu26 137.67(4) . .
Cu21 Cu13 Cu9 82.93(4) 2_655 .
Cu21 Cu13 Cu11 71.12(4) 2_655 .
Cu21 Cu13 Cu26 68.65(4) 2_655 .
S6 Cu13 Cu9 51.73(5) . .
S6 Cu13 Cu11 77.64(5) . .
S6 Cu13 Cu21 134.09(6) . 2_655
S6 Cu13 Cu26 123.71(6) . .
S6 Cu13 S16 128.45(7) . .
S6 Cu13 S17 110.18(7) . .
S16 Cu13 Cu9 105.54(5) . .
S16 Cu13 Cu11 54.33(5) . .
S16 Cu13 Cu21 50.12(5) . 2_655
S16 Cu13 Cu26 105.57(6) . .
S16 Cu13 S17 113.54(7) . .
S17 Cu13 Cu9 136.79(6) . .
S17 Cu13 Cu11 165.44(6) . .
S17 Cu13 Cu21 108.26(6) . 2_655
S17 Cu13 Cu26 48.62(5) . .
Cu24 Cu14 Cu15 68.52(3) . 2_655
Cu25 Cu14 Cu15 86.63(4) . 2_655
Cu25 Cu14 Cu24 64.89(4) . .
S8 Cu14 Cu15 50.70(5) 2_655 2_655
S8 Cu14 Cu24 87.84(6) 2_655 .
S8 Cu14 Cu25 136.34(6) 2_655 .
S8 Cu14 S13 128.81(7) 2_655 .
S8 Cu14 S14 111.47(7) 2_655 .
S13 Cu14 Cu15 99.91(5) . 2_655
S13 Cu14 Cu24 122.90(6) . .
S13 Cu14 Cu25 58.58(5) . .
S13 Cu14 S14 119.72(7) . .
S14 Cu14 Cu15 120.82(6) . 2_655
S14 Cu14 Cu24 53.56(5) . .
S14 Cu14 Cu25 80.09(5) . .
Cu14 Cu15 Cu17 115.04(4) 2_655 .
Cu18 Cu15 Cu14 91.50(4) . 2_655
Cu18 Cu15 Cu17 58.30(3) . .
S7 Cu15 Cu14 146.12(6) . 2_655
S7 Cu15 Cu17 95.98(6) . .
S7 Cu15 Cu18 117.51(6) . .
S7 Cu15 S16 102.01(6) . .
S8 Cu15 Cu14 50.94(5) . 2_655
S8 Cu15 Cu17 105.79(6) . .
S8 Cu15 Cu18 51.76(5) . .
S8 Cu15 S7 135.00(7) . .
S8 Cu15 S16 122.02(7) . .
S16 Cu15 Cu14 77.04(5) . 2_655
S16 Cu15 Cu17 71.45(5) . .
S16 Cu15 Cu18 117.10(6) . .
Cu19 Cu16 Cu17 65.83(3) . .
S7 Cu16 Cu17 102.16(6) . .
S7 Cu16 Cu19 140.92(6) . .
S7 Cu16 S9 138.32(8) . .
S7 Cu16 S17 110.28(7) . .
S9 Cu16 Cu17 115.01(6) . .
S9 Cu16 Cu19 52.85(5) . .
S9 Cu16 S17 108.16(7) . .
S17 Cu16 Cu17 49.16(5) . .
S17 Cu16 Cu19 90.05(5) . .
Cu15 Cu17 Cu19 97.17(4) . .
Cu16 Cu17 Cu15 64.21(3) . .
Cu16 Cu17 Cu19 55.47(3) . .
Cu18 Cu17 Cu15 56.31(3) . .
Cu18 Cu17 Cu16 82.73(4) . .
Cu18 Cu17 Cu19 64.58(3) . .
Cu26 Cu17 Cu15 126.01(4) . .
Cu26 Cu17 Cu16 103.26(4) . .
Cu26 Cu17 Cu18 174.01(5) . .
Cu26 Cu17 Cu19 118.88(4) . .
Cu27 Cu17 Cu15 119.54(4) . .
Cu27 Cu17 Cu16 173.68(5) . .
Cu27 Cu17 Cu18 103.58(4) . .
Cu27 Cu17 Cu19 126.70(4) . .
Cu27 Cu17 Cu26 70.43(4) . .
S17 Cu17 Cu15 99.39(6) . .
S17 Cu17 Cu16 52.30(5) . .
S17 Cu17 Cu18 134.94(6) . .
S17 Cu17 Cu19 84.67(5) . .
S17 Cu17 Cu26 51.05(5) . .
S17 Cu17 Cu27 121.38(6) . .
S18 Cu17 Cu15 85.18(6) . .
S18 Cu17 Cu16 135.33(6) . .
S18 Cu17 Cu18 52.75(5) . .
S18 Cu17 Cu19 100.99(6) . .
S18 Cu17 Cu26 121.26(6) . .
S18 Cu17 Cu27 50.99(5) . .
S18 Cu17 S17 172.30(8) . .
Cu15 Cu18 Cu17 65.39(3) . .
S8 Cu18 Cu15 51.87(5) . .
S8 Cu18 Cu17 112.47(6) . .
S8 Cu18 S18 104.41(7) . .
S10 Cu18 Cu15 139.18(6) . .
S10 Cu18 Cu17 102.68(6) . .
S10 Cu18 S8 140.23(8) . .
S10 Cu18 S18 112.62(7) . .
S18 Cu18 Cu15 89.37(5) . .
S18 Cu18 Cu17 49.16(5) . .
Cu6 Cu19 Cu17 116.85(4) 2_655 .
Cu16 Cu19 Cu6 92.42(4) . 2_655
Cu16 Cu19 Cu17 58.70(3) . .
S9 Cu19 Cu6 52.76(5) . 2_655
S9 Cu19 Cu16 52.20(5) . .
S9 Cu19 Cu17 107.68(5) . .
S9 Cu19 S19 124.37(7) . .
S10 Cu19 Cu6 145.12(6) . 2_655
S10 Cu19 Cu16 116.65(6) . .
S10 Cu19 Cu17 95.58(5) . .
S10 Cu19 S9 131.33(7) . .
S10 Cu19 S19 103.17(7) . .
S19 Cu19 Cu6 77.18(5) . 2_655
S19 Cu19 Cu16 117.40(6) . .
S19 Cu19 Cu17 71.82(5) . .
S4 Cu20 Cu10 55.06(5) . .
S4 Cu20 S15 95.60(7) . .
S15 Cu20 Cu10 48.53(5) . .
P1 Cu20 Cu10 162.50(8) . .
P1 Cu20 S4 140.26(9) . .
P1 Cu20 S15 122.31(8) . .
Cu8 Cu21 Cu13 77.09(4) 2_655 2_655
Cu8 Cu21 Cu22 99.79(4) 2_655 .
Cu22 Cu21 Cu13 157.56(5) . 2_655
Cu24 Cu21 Cu8 166.25(5) . 2_655
Cu24 Cu21 Cu13 101.31(4) . 2_655
Cu24 Cu21 Cu22 76.38(4) . .
S16 Cu21 Cu8 128.13(6) 2_655 2_655
S16 Cu21 Cu13 54.18(5) 2_655 2_655
S16 Cu21 Cu22 131.99(6) 2_655 .
S16 Cu21 Cu24 56.38(5) 2_655 .
S19 Cu21 Cu8 55.99(5) . 2_655
S19 Cu21 Cu13 132.03(6) . 2_655
S19 Cu21 Cu22 53.93(5) . .
S19 Cu21 Cu24 126.62(6) . .
S19 Cu21 S16 155.59(8) . 2_655
Cu1 Cu22 Cu23 54.83(3) . .
Cu1 Cu22 Cu27 105.76(4) . .
Cu21 Cu22 Cu1 82.28(4) . .
Cu21 Cu22 Cu23 70.05(4) . .
Cu21 Cu22 Cu27 69.46(4) . .
Cu27 Cu22 Cu23 137.06(4) . .
S12 Cu22 Cu1 51.30(5) . .
S12 Cu22 Cu21 133.23(6) . .
S12 Cu22 Cu23 77.39(5) . .
S12 Cu22 Cu27 123.15(6) . .
S12 Cu22 S18 109.80(7) . .
S12 Cu22 S19 126.57(7) . .
S18 Cu22 Cu1 138.02(6) . .
S18 Cu22 Cu21 109.14(6) . .
S18 Cu22 Cu23 167.12(6) . .
S18 Cu22 Cu27 48.37(4) . .
S19 Cu22 Cu1 102.02(6) . .
S19 Cu22 Cu21 50.05(5) . .
S19 Cu22 Cu23 52.68(5) . .
S19 Cu22 Cu27 107.49(6) . .
S19 Cu22 S18 116.40(7) . .
Cu1 Cu23 Cu5 154.45(5) . 2_655
Cu1 Cu23 Cu7 142.16(5) . 2_655
Cu1 Cu23 Cu10 100.17(4) . 2_655
Cu1 Cu23 Cu22 61.04(3) . .
Cu5 Cu23 Cu7 58.64(3) 2_655 2_655
Cu5 Cu23 Cu10 79.05(4) 2_655 2_655
Cu5 Cu23 Cu22 138.78(5) 2_655 .
Cu7 Cu23 Cu10 58.55(3) 2_655 2_655
Cu7 Cu23 Cu22 105.06(4) 2_655 .
Cu10 Cu23 Cu22 127.57(4) 2_655 .
S11 Cu23 Cu1 112.53(6) . .
S11 Cu23 Cu5 56.04(5) . 2_655
S11 Cu23 Cu7 104.28(5) . 2_655
S11 Cu23 Cu10 131.56(6) . 2_655
S11 Cu23 Cu22 99.86(5) . .
S11 Cu23 S19 104.39(7) . .
S19 Cu23 Cu1 105.89(5) . .
S19 Cu23 Cu5 99.37(5) . 2_655
S19 Cu23 Cu7 54.78(5) . 2_655
S19 Cu23 Cu10 99.51(5) . 2_655
S19 Cu23 Cu22 50.70(4) . .
S20 Cu23 Cu1 56.63(5) . .
S20 Cu23 Cu5 107.45(6) . 2_655
S20 Cu23 Cu7 109.99(6) . 2_655
S20 Cu23 Cu10 51.49(5) . 2_655
S20 Cu23 Cu22 113.77(6) . .
S20 Cu23 S11 122.15(7) . .
S20 Cu23 S19 133.42(7) . .
Cu1 Cu24 Cu25 69.26(3) . .
Cu1 Cu24 Cu27 102.59(4) . .
Cu14 Cu24 Cu1 95.15(4) . .
Cu14 Cu24 Cu25 55.59(3) . .
Cu14 Cu24 Cu27 159.50(4) . .
Cu21 Cu24 Cu1 84.20(4) . .
Cu21 Cu24 Cu14 124.97(4) . .
Cu21 Cu24 Cu25 73.53(4) . .
Cu21 Cu24 Cu27 67.76(4) . .
Cu25 Cu24 Cu27 141.12(4) . .
S14 Cu24 Cu1 53.05(5) . .
S14 Cu24 Cu14 54.07(5) . .
S14 Cu24 Cu21 133.73(6) . .
S14 Cu24 Cu25 75.03(5) . .
S14 Cu24 Cu27 131.74(6) . .
S14 Cu24 S16 124.12(7) . 2_655
S14 Cu24 S18 116.06(7) . 2_655
S16 Cu24 Cu1 111.30(5) 2_655 .
S16 Cu24 Cu14 79.78(5) 2_655 .
S16 Cu24 Cu21 50.68(5) 2_655 .
S16 Cu24 Cu25 51.74(4) 2_655 .
S16 Cu24 Cu27 102.81(6) 2_655 .
S18 Cu24 Cu1 132.89(6) 2_655 .
S18 Cu24 Cu14 113.67(6) 2_655 .
S18 Cu24 Cu21 105.62(6) 2_655 .
S18 Cu24 Cu25 157.84(6) 2_655 .
S18 Cu24 Cu27 46.09(5) 2_655 .
S18 Cu24 S16 109.99(7) 2_655 2_655
Cu10 Cu25 Cu11 59.60(3) 2_655 2_655
Cu10 Cu25 Cu14 174.95(5) 2_655 .
Cu10 Cu25 Cu24 123.60(5) 2_655 .
Cu11 Cu25 Cu24 103.67(4) 2_655 .
Cu12 Cu25 Cu10 76.98(4) 2_655 2_655
Cu12 Cu25 Cu11 58.91(3) 2_655 2_655
Cu12 Cu25 Cu14 102.53(4) 2_655 .
Cu12 Cu25 Cu24 144.30(5) 2_655 .
Cu14 Cu25 Cu11 124.56(4) . 2_655
Cu14 Cu25 Cu24 59.53(3) . .
S13 Cu25 Cu10 123.46(6) . 2_655
S13 Cu25 Cu11 106.60(5) . 2_655
S13 Cu25 Cu12 54.14(5) . 2_655
S13 Cu25 Cu14 53.82(5) . .
S13 Cu25 Cu24 112.89(5) . .
S16 Cu25 Cu10 102.25(5) 2_655 2_655
S16 Cu25 Cu11 53.44(5) 2_655 2_655
S16 Cu25 Cu12 97.39(5) 2_655 2_655
S16 Cu25 Cu14 82.79(5) 2_655 .
S16 Cu25 Cu24 52.63(5) 2_655 .
S16 Cu25 S13 109.82(7) 2_655 .
S20 Cu25 Cu10 54.67(5) . 2_655
S20 Cu25 Cu11 112.58(6) . 2_655
S20 Cu25 Cu12 115.32(6) . 2_655
S20 Cu25 Cu14 121.96(6) . .
S20 Cu25 Cu24 99.98(6) . .
S20 Cu25 S13 119.99(7) . .
S20 Cu25 S16 129.88(7) . 2_655
Cu8 Cu26 Cu8 160.32(6) . 2_655
Cu13 Cu26 Cu8 104.61(3) . 2_655
Cu13 Cu26 Cu8 71.13(3) 2_655 2_655
Cu13 Cu26 Cu8 104.61(3) 2_655 .
Cu13 Cu26 Cu8 71.12(3) . .
Cu13 Cu26 Cu13 155.95(7) . 2_655
Cu17 Cu26 Cu8 68.13(3) 2_655 .
Cu17 Cu26 Cu8 124.72(3) . .
Cu17 Cu26 Cu8 68.14(3) . 2_655
Cu17 Cu26 Cu8 124.72(3) 2_655 2_655
Cu17 Cu26 Cu13 68.99(3) . .
Cu17 Cu26 Cu13 68.99(3) 2_655 2_655
Cu17 Cu26 Cu13 126.79(3) . 2_655
Cu17 Cu26 Cu13 126.79(3) 2_655 .
Cu17 Cu26 Cu17 109.55(6) . 2_655
S17 Cu26 Cu8 122.85(5) . .
S17 Cu26 Cu8 50.11(5) 2_655 .
S17 Cu26 Cu8 50.10(5) . 2_655
S17 Cu26 Cu8 122.85(5) 2_655 2_655
S17 Cu26 Cu13 117.37(5) . 2_655
S17 Cu26 Cu13 54.53(5) . .
S17 Cu26 Cu13 117.37(5) 2_655 .
S17 Cu26 Cu13 54.52(5) 2_655 2_655
S17 Cu26 Cu17 52.13(5) . .
S17 Cu26 Cu17 52.13(5) 2_655 2_655
S17 Cu26 Cu17 161.40(8) 2_655 .
S17 Cu26 Cu17 161.41(8) . 2_655
S17 Cu26 S17 146.34(11) . 2_655
Cu17 Cu27 Cu17 109.58(6) . 2_655
Cu17 Cu27 Cu22 126.37(4) 2_655 .
Cu17 Cu27 Cu22 126.36(4) . 2_655
Cu17 Cu27 Cu22 67.34(3) 2_655 2_655
Cu17 Cu27 Cu22 67.35(3) . .
Cu17 Cu27 Cu24 123.18(3) . .
Cu17 Cu27 Cu24 68.69(3) 2_655 .
Cu17 Cu27 Cu24 123.17(3) 2_655 2_655
Cu17 Cu27 Cu24 68.70(3) . 2_655
Cu22 Cu27 Cu22 159.24(7) 2_655 .
Cu22 Cu27 Cu24 105.89(3) 2_655 .
Cu22 Cu27 Cu24 70.65(3) 2_655 2_655
Cu22 Cu27 Cu24 70.66(3) . .
Cu22 Cu27 Cu24 105.89(3) . 2_655
Cu24 Cu27 Cu24 161.65(6) . 2_655
S18 Cu27 Cu17 52.04(5) . .
S18 Cu27 Cu17 52.04(5) 2_655 2_655
S18 Cu27 Cu17 161.18(8) . 2_655
S18 Cu27 Cu17 161.18(8) 2_655 .
S18 Cu27 Cu22 54.97(5) 2_655 2_655
S18 Cu27 Cu22 118.06(5) . 2_655
S18 Cu27 Cu22 118.06(5) 2_655 .
S18 Cu27 Cu22 54.97(5) . .
S18 Cu27 Cu24 50.92(4) 2_655 .
S18 Cu27 Cu24 50.92(4) . 2_655
S18 Cu27 Cu24 122.59(5) 2_655 2_655
S18 Cu27 Cu24 122.60(5) . .
S18 Cu27 S18 146.59(11) . 2_655
Cu4 S1 Cu5 105.42(8) 2_655 .
C1 S1 Cu4 108.1(3) . 2_655
C1 S1 Cu5 111.8(3) . .
Cu5 S2 Cu7 68.99(6) . .
Cu6 S2 Cu5 129.80(8) . .
Cu6 S2 Cu7 69.57(6) . .
C12 S2 Cu5 108.0(3) . .
C12 S2 Cu6 106.8(2) . .
C12 S2 Cu7 101.3(3) . .
Cu8 S3 Cu6 71.69(5) . .
Cu9 S3 Cu6 121.48(7) . .
Cu9 S3 Cu8 72.64(6) . .
C23 S3 Cu6 110.7(2) . .
C23 S3 Cu8 101.8(2) . .
C23 S3 Cu9 121.0(2) . .
Cu12 S4 Cu10 83.83(6) . .
Cu20 S4 Cu10 77.62(7) . .
Cu20 S4 Cu12 120.31(8) . .
C34 S4 Cu10 119.7(3) . .
C34 S4 Cu12 120.5(3) . .
C34 S4 Cu20 118.0(3) . .
Cu11 S5 Cu2 94.14(7) . .
Cu12 S5 Cu2 146.97(8) . .
Cu12 S5 Cu11 70.22(6) . .
C45 S5 Cu2 108.9(2) . .
C45 S5 Cu11 108.7(2) . .
C45 S5 Cu12 103.7(2) . .
Cu9 S6 Cu2 130.00(8) . .
Cu9 S6 Cu13 76.51(6) . .
Cu13 S6 Cu2 85.46(6) . .
C56 S6 Cu2 115.9(2) . .
C56 S6 Cu9 113.3(2) . .
C56 S6 Cu13 101.4(2) . .
Cu15 S7 Cu2 118.99(7) . .
Cu16 S7 Cu2 116.16(8) . .
Cu16 S7 Cu15 88.98(7) . .
C67 S7 Cu2 112.9(2) . .
C67 S7 Cu15 110.6(2) . .
C67 S7 Cu16 106.6(2) . .
Cu15 S8 Cu14 78.35(6) . 2_655
Cu18 S8 Cu14 127.01(8) . 2_655
Cu18 S8 Cu15 76.37(6) . .
C78 S8 Cu14 113.8(2) . 2_655
C78 S8 Cu15 107.4(2) . .
C78 S8 Cu18 118.0(2) . .
Cu16 S9 Cu6 122.87(8) . 2_655
Cu16 S9 Cu19 74.95(6) . .
Cu19 S9 Cu6 74.63(6) . 2_655
C89 S9 Cu6 116.6(3) . 2_655
C89 S9 Cu16 116.9(3) . .
C89 S9 Cu19 103.8(2) . .
Cu18 S10 Cu3 115.94(8) . .
Cu18 S10 Cu19 89.36(7) . .
Cu19 S10 Cu3 117.70(8) . .
C100 S10 Cu3 111.7(2) . .
C100 S10 Cu18 108.5(2) . .
C100 S10 Cu19 111.6(2) . .
Cu5 S11 Cu3 152.32(8) 2_655 .
Cu23 S11 Cu3 98.46(7) . .
Cu23 S11 Cu5 69.69(6) . 2_655
C111 S11 Cu3 106.5(2) . .
C111 S11 Cu5 101.1(2) . 2_655
C111 S11 Cu23 109.2(2) . .
Cu1 S12 Cu3 127.66(8) . .
Cu1 S12 Cu22 76.91(6) . .
Cu22 S12 Cu3 86.27(6) . .
C122 S12 Cu1 112.9(2) . .
C122 S12 Cu3 118.6(3) . .
C122 S12 Cu22 99.0(2) . .
Cu12 S13 Cu25 66.93(5) 2_655 .
Cu14 S13 Cu12 125.62(8) . 2_655
Cu14 S13 Cu25 67.60(6) . .
C133 S13 Cu12 108.7(2) . 2_655
C133 S13 Cu14 106.5(2) . .
C133 S13 Cu25 99.2(2) . .
Cu1 S14 Cu14 122.78(7) . .
Cu1 S14 Cu24 73.79(6) . .
Cu24 S14 Cu14 72.37(6) . .
C144 S14 Cu1 119.7(2) . .
C144 S14 Cu14 110.8(2) . .
C144 S14 Cu24 100.4(2) . .
Cu7 S15 Cu9 91.15(7) . .
Cu7 S15 Cu10 73.15(6) . .
Cu7 S15 Cu11 111.45(7) . .
Cu7 S15 Cu20 125.15(8) . .
Cu10 S15 Cu9 131.28(8) . .
Cu10 S15 Cu20 81.95(6) . .
Cu11 S15 Cu9 71.13(6) . .
Cu11 S15 Cu10 72.61(6) . .
Cu11 S15 Cu20 106.10(8) . .
Cu20 S15 Cu9 139.16(8) . .
Cu13 S16 Cu11 72.93(5) . .
Cu13 S16 Cu15 98.97(6) . .
Cu13 S16 Cu24 129.88(8) . 2_655
Cu13 S16 Cu25 145.79(8) . 2_655
Cu15 S16 Cu11 124.09(8) . .
Cu15 S16 Cu24 84.08(6) . 2_655
Cu21 S16 Cu11 90.13(7) 2_655 .
Cu21 S16 Cu13 75.70(6) 2_655 .
Cu21 S16 Cu15 142.77(8) 2_655 .
Cu21 S16 Cu24 72.94(6) 2_655 2_655
Cu21 S16 Cu25 95.34(7) 2_655 2_655
Cu24 S16 Cu11 143.60(8) 2_655 .
Cu25 S16 Cu11 74.17(5) 2_655 .
Cu25 S16 Cu15 107.04(7) 2_655 .
Cu25 S16 Cu24 75.62(5) 2_655 2_655
Cu8 S17 Cu13 160.77(9) 2_655 .
Cu16 S17 Cu8 100.22(7) . 2_655
Cu16 S17 Cu13 97.93(7) . .
Cu17 S17 Cu8 90.58(7) . 2_655
Cu17 S17 Cu13 86.83(6) . .
Cu17 S17 Cu16 78.54(6) . .
Cu26 S17 Cu8 84.00(6) . 2_655
Cu26 S17 Cu13 76.85(6) . .
Cu26 S17 Cu16 155.04(9) . .
Cu26 S17 Cu17 76.82(7) . .
Cu17 S18 Cu18 78.09(6) . .
Cu17 S18 Cu22 84.31(6) . .
Cu17 S18 Cu24 90.64(7) . 2_655
Cu18 S18 Cu22 95.64(7) . .
Cu18 S18 Cu24 102.61(7) . 2_655
Cu24 S18 Cu22 159.64(9) 2_655 .
Cu27 S18 Cu17 76.97(7) . .
Cu27 S18 Cu18 154.49(9) . .
Cu27 S18 Cu22 76.66(6) . .
Cu27 S18 Cu24 82.99(6) . 2_655
Cu7 S19 Cu23 70.28(5) 2_655 .
Cu8 S19 Cu7 78.08(6) 2_655 2_655
Cu8 S19 Cu19 82.39(6) 2_655 .
Cu8 S19 Cu23 143.03(8) 2_655 .
Cu19 S19 Cu7 107.72(7) . 2_655
Cu19 S19 Cu23 124.85(7) . .
Cu21 S19 Cu7 96.08(7) . 2_655
Cu21 S19 Cu8 73.45(6) . 2_655
Cu21 S19 Cu19 141.64(8) . .
Cu21 S19 Cu22 76.03(6) . .
Cu21 S19 Cu23 91.07(7) . .
Cu22 S19 Cu7 145.84(8) . 2_655
Cu22 S19 Cu8 128.64(7) . 2_655
Cu22 S19 Cu19 97.81(7) . .
Cu22 S19 Cu23 76.61(6) . .
Cu4 S20 Cu1 130.72(8) . .
Cu10 S20 Cu1 130.19(8) 2_655 .
Cu10 S20 Cu4 89.49(7) 2_655 .
Cu10 S20 Cu23 77.00(6) 2_655 .
Cu10 S20 Cu25 70.08(6) 2_655 .
Cu23 S20 Cu1 69.42(6) . .
Cu23 S20 Cu4 99.31(7) . .
Cu23 S20 Cu25 109.66(7) . .
Cu25 S20 Cu1 87.63(6) . .
Cu25 S20 Cu4 138.84(9) . .
C155 P1 Cu20 113.7(3) . .
C155 P1 C161 103.3(4) . .
C161 P1 Cu20 111.3(3) . .
C167 P1 Cu20 120.4(3) . .
C167 P1 C155 103.5(4) . .
C167 P1 C161 102.9(4) . .
C173 P2 Cu2 116.2(2) . .
C173 P2 C185 102.8(3) . .
C179 P2 Cu2 112.2(2) . .
C179 P2 C173 103.5(3) . .
C179 P2 C185 103.0(3) . .
C185 P2 Cu2 117.3(2) . .
C191 P3 Cu3 114.6(2) . .
C197 P3 Cu3 118.5(3) . .
C197 P3 C191 103.5(3) . .
C203 P3 Cu3 113.3(2) . .
C203 P3 C191 103.7(3) . .
C203 P3 C197 101.4(3) . .
C209 P4 Cu4 111.9(3) . .
C215 P4 Cu4 116.4(3) . .
C215 P4 C209 103.9(4) . .
C221 P4 Cu4 116.0(2) . .
C221 P4 C209 104.3(4) . .
C221 P4 C215 102.8(3) . .
S1 C1 H1A 109.4 . .
S1 C1 H1B 109.4 . .
H1A C1 H1B 108.0 . .
C2 C1 S1 111.3(6) . .
C2 C1 H1A 109.4 . .
C2 C1 H1B 109.4 . .
C3 C2 C1 121.6(8) . .
C7 C2 C1 121.8(8) . .
C7 C2 C3 116.5(8) . .
C2 C3 H3 119.5 . .
C4 C3 C2 121.1(9) . .
C4 C3 H3 119.5 . .
C3 C4 H4 118.1 . .
C5 C4 C3 123.7(9) . .
C5 C4 H4 118.1 . .
C4 C5 C6 114.7(9) . .
C4 C5 C8 122.4(8) . .
C6 C5 C8 122.7(8) . .
C5 C6 H6 119.0 . .
C7 C6 C5 121.9(9) . .
C7 C6 H6 119.0 . .
C2 C7 C6 121.9(8) . .
C2 C7 H7 119.1 . .
C6 C7 H7 119.1 . .
C5 C8 C9 108.9(8) . .
C5 C8 C10 110.3(8) . .
C5 C8 C11 112.5(8) . .
C10 C8 C9 106.7(8) . .
C10 C8 C11 110.4(9) . .
C11 C8 C9 108.0(8) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
S2 C12 H12A 109.7 . .
S2 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
C13 C12 S2 109.8(5) . .
C13 C12 H12A 109.7 . .
C13 C12 H12B 109.7 . .
C14 C13 C12 123.7(8) . .
C14 C13 C18 118.2(8) . .
C18 C13 C12 118.1(8) . .
C13 C14 H14 119.7 . .
C13 C14 C15 120.6(10) . .
C15 C14 H14 119.7 . .
C14 C15 H15 119.3 . .
C16 C15 C14 121.4(10) . .
C16 C15 H15 119.3 . .
C15 C16 C17 117.0(9) . .
C15 C16 C19 123.0(10) . .
C17 C16 C19 119.9(9) . .
C16 C17 H17 119.8 . .
C18 C17 C16 120.5(9) . .
C18 C17 H17 119.8 . .
C13 C18 C17 122.4(9) . .
C13 C18 H18 118.8 . .
C17 C18 H18 118.8 . .
C20 C19 C16 108.4(8) . .
C21 C19 C16 107.7(8) . .
C21 C19 C20 109.0(10) . .
C22 C19 C16 112.5(10) . .
C22 C19 C20 108.4(10) . .
C22 C19 C21 110.7(10) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
S3 C23 H23A 109.2 . .
S3 C23 H23B 109.2 . .
H23A C23 H23B 107.9 . .
C24 C23 S3 112.2(4) . .
C24 C23 H23A 109.2 . .
C24 C23 H23B 109.2 . .
C25 C24 C23 120.9(7) . .
C25 C24 C29 118.4(7) . .
C29 C24 C23 120.6(6) . .
C24 C25 H25 119.0 . .
C24 C25 C26 121.9(9) . .
C26 C25 H25 119.0 . .
C25 C26 H26 120.1 . .
C27 C26 C25 119.8(9) . .
C27 C26 H26 120.1 . .
C26 C27 C28 119.1(8) . .
C26 C27 C30 119.9(10) . .
C28 C27 C30 121.0(11) . .
C27 C28 H28 120.1 . .
C29 C28 C27 119.9(9) . .
C29 C28 H28 120.1 . .
C24 C29 H29 119.6 . .
C28 C29 C24 120.9(8) . .
C28 C29 H29 119.6 . .
C27 C30 C33 109.5(12) . .
C31 C30 C27 108.3(10) . .
C31 C30 C33 107.3(12) . .
C32 C30 C27 108.9(12) . .
C32 C30 C31 108.2(14) . .
C32 C30 C33 114.6(14) . .
C32A C30 C27 108.6(13) . .
C32A C30 C31A 98(2) . .
C33A C30 C27 108(3) . .
C33A C30 C32A 123(3) . .
C33A C30 C31A 106(3) . .
C31A C30 C27 114(2) . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C30 C33 H33A 109.5 . .
C30 C33 H33B 109.5 . .
C30 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
S4 C34 H34A 109.1 . .
S4 C34 H34B 109.1 . .
H34A C34 H34B 107.9 . .
C35 C34 S4 112.3(6) . .
C35 C34 H34A 109.1 . .
C35 C34 H34B 109.1 . .
C36 C35 C34 122.4(8) . .
C36 C35 C40 116.2(8) . .
C40 C35 C34 121.4(8) . .
C35 C36 H36 119.3 . .
C35 C36 C37 121.5(9) . .
C37 C36 H36 119.3 . .
C36 C37 H37 118.4 . .
C38 C37 C36 123.1(10) . .
C38 C37 H37 118.4 . .
C37 C38 C39 115.7(10) . .
C37 C38 C41 123.0(11) . .
C39 C38 C41 121.3(12) . .
C38 C39 H39 119.4 . .
C38 C39 C40 121.3(11) . .
C40 C39 H39 119.4 . .
C35 C40 C39 122.2(10) . .
C35 C40 H40 118.9 . .
C39 C40 H40 118.9 . .
C38 C41 C43 109.5(17) . .
C38 C41 C44A 111.3(15) . .
C38 C41 C44 105.7(13) . .
C42 C41 C38 107.0(15) . .
C42 C41 C43 118(2) . .
C42 C41 C44 101.0(18) . .
C42A C41 C38 110.6(12) . .
C42A C41 C44A 104.6(16) . .
C43 C41 C44 114.9(19) . .
C43A C41 C38 112.2(15) . .
C43A C41 C42A 112.2(19) . .
C43A C41 C44A 105.7(18) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42B 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C42A H42D 109.5 . .
C41 C42A H42E 109.5 . .
C41 C42A H42F 109.5 . .
H42D C42A H42E 109.5 . .
H42D C42A H42F 109.5 . .
H42E C42A H42F 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43B 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C41 C43A H43D 109.5 . .
C41 C43A H43E 109.5 . .
C41 C43A H43F 109.5 . .
H43D C43A H43E 109.5 . .
H43D C43A H43F 109.5 . .
H43E C43A H43F 109.5 . .
C41 C44A H44A 109.5 . .
C41 C44A H44B 109.5 . .
C41 C44A H44C 109.5 . .
H44A C44A H44B 109.5 . .
H44A C44A H44C 109.5 . .
H44B C44A H44C 109.5 . .
C41 C44 H44D 109.5 . .
C41 C44 H44E 109.5 . .
C41 C44 H44F 109.5 . .
H44D C44 H44E 109.5 . .
H44D C44 H44F 109.5 . .
H44E C44 H44F 109.5 . .
S5 C45 H45A 109.4 . .
S5 C45 H45B 109.4 . .
H45A C45 H45B 108.0 . .
C46 C45 S5 111.2(5) . .
C46 C45 H45A 109.4 . .
C46 C45 H45B 109.4 . .
C47 C46 C45 123.5(7) . .
C47 C46 C51 116.5(7) . .
C51 C46 C45 120.0(7) . .
C46 C47 H47 118.5 . .
C48 C47 C46 123.0(8) . .
C48 C47 H47 118.5 . .
C47 C48 H48 119.7 . .
C47 C48 C49 120.7(9) . .
C49 C48 H48 119.7 . .
C48 C49 C52 122.0(11) . .
C50 C49 C48 116.1(9) . .
C50 C49 C52 121.8(10) . .
C49 C50 H50 118.3 . .
C51 C50 C49 123.3(8) . .
C51 C50 H50 118.3 . .
C46 C51 H51 119.8 . .
C50 C51 C46 120.4(8) . .
C50 C51 H51 119.8 . .
C49 C52 C54 108.8(11) . .
C49 C52 C55 107.3(10) . .
C53 C52 C49 112.8(11) . .
C53 C52 C54 109.0(14) . .
C53 C52 C55 113.5(14) . .
C54 C52 C55 105.1(11) . .
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 . .
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 . .
C52 C55 H55A 109.5 . .
C52 C55 H55B 109.5 . .
C52 C55 H55C 109.5 . .
H55A C55 H55B 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
S6 C56 H56A 108.9 . .
S6 C56 H56B 108.9 . .
H56A C56 H56B 107.7 . .
C57 C56 S6 113.5(4) . .
C57 C56 H56A 108.9 . .
C57 C56 H56B 108.9 . .
C58 C57 C56 120.3(6) . .
C62 C57 C56 121.8(6) . .
C62 C57 C58 117.9(6) . .
C57 C58 H58 119.8 . .
C59 C58 C57 120.5(7) . .
C59 C58 H58 119.8 . .
C58 C59 H59 119.0 . .
C58 C59 C60 122.0(8) . .
C60 C59 H59 119.0 . .
C59 C60 C63 119.4(8) . .
C61 C60 C59 116.7(7) . .
C61 C60 C63 123.8(8) . .
C60 C61 H61 119.1 . .
C60 C61 C62 121.8(7) . .
C62 C61 H61 119.1 . .
C57 C62 C61 121.1(8) . .
C57 C62 H62 119.4 . .
C61 C62 H62 119.4 . .
C60 C63 C65 110.9(9) . .
C60 C63 C66 107.0(9) . .
C60 C63 C64A 109.8(11) . .
C60 C63 C65A 107.8(17) . .
C64 C63 C60 111.4(9) . .
C64 C63 C65 109.7(11) . .
C64 C63 C66 112.8(11) . .
C65 C63 C66 104.9(11) . .
C66A C63 C60 114.5(17) . .
C66A C63 C64A 106(2) . .
C66A C63 C65A 123(2) . .
C65A C63 C64A 93.8(19) . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64B 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C63 C65 H65A 109.5 . .
C63 C65 H65B 109.5 . .
C63 C65 H65C 109.5 . .
H65A C65 H65B 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C63 C66 H66A 109.5 . .
C63 C66 H66B 109.5 . .
C63 C66 H66C 109.5 . .
H66A C66 H66B 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
S7 C67 H67A 108.3 . .
S7 C67 H67B 108.3 . .
H67A C67 H67B 107.4 . .
C68 C67 S7 115.9(5) . .
C68 C67 H67A 108.3 . .
C68 C67 H67B 108.3 . .
C69 C68 C67 124.6(6) . .
C69 C68 C73 117.3(7) . .
C73 C68 C67 118.2(6) . .
C68 C69 H69 119.3 . .
C70 C69 C68 121.3(7) . .
C70 C69 H69 119.3 . .
C69 C70 H70 119.0 . .
C71 C70 C69 122.1(8) . .
C71 C70 H70 119.0 . .
C70 C71 C72 117.4(7) . .
C70 C71 C74 122.7(8) . .
C72 C71 C74 120.0(8) . .
C71 C72 H72 119.2 . .
C71 C72 C73 121.5(8) . .
C73 C72 H72 119.2 . .
C68 C73 H73 119.8 . .
C72 C73 C68 120.4(7) . .
C72 C73 H73 119.8 . .
C71 C74 C75 107.7(9) . .
C76 C74 C71 110.3(8) . .
C76 C74 C75 109.9(10) . .
C77 C74 C71 111.3(9) . .
C77 C74 C75 108.6(10) . .
C77 C74 C76 109.1(10) . .
C74 C75 H75A 109.5 . .
C74 C75 H75B 109.5 . .
C74 C75 H75C 109.5 . .
H75A C75 H75B 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C74 C76 H76A 109.5 . .
C74 C76 H76B 109.5 . .
C74 C76 H76C 109.5 . .
H76A C76 H76B 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C74 C77 H77A 109.5 . .
C74 C77 H77B 109.5 . .
C74 C77 H77C 109.5 . .
H77A C77 H77B 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
S8 C78 H78A 109.8 . .
S8 C78 H78B 109.8 . .
H78A C78 H78B 108.2 . .
C79 C78 S8 109.6(5) . .
C79 C78 H78A 109.8 . .
C79 C78 H78B 109.8 . .
C80 C79 C78 119.5(6) . .
C84 C79 C78 123.3(7) . .
C84 C79 C80 117.1(7) . .
C79 C80 H80 120.0 . .
C81 C80 C79 120.0(7) . .
C81 C80 H80 120.0 . .
C80 C81 H81 118.5 . .
C80 C81 C82 122.9(8) . .
C82 C81 H81 118.5 . .
C81 C82 C83 116.6(7) . .
C81 C82 C85 121.2(8) . .
C83 C82 C85 122.0(8) . .
C82 C83 H83 119.1 . .
C82 C83 C84 121.8(8) . .
C84 C83 H83 119.1 . .
C79 C84 C83 121.4(8) . .
C79 C84 H84 119.3 . .
C83 C84 H84 119.3 . .
C86 C85 C82 110.8(8) . .
C87 C85 C82 107.7(8) . .
C87 C85 C86 110.5(10) . .
C87 C85 C88 108.8(8) . .
C88 C85 C82 108.3(8) . .
C88 C85 C86 110.6(9) . .
C85 C86 H86A 109.5 . .
C85 C86 H86B 109.5 . .
C85 C86 H86C 109.5 . .
H86A C86 H86B 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
C85 C87 H87A 109.5 . .
C85 C87 H87B 109.5 . .
C85 C87 H87C 109.5 . .
H87A C87 H87B 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
C85 C88 H88A 109.5 . .
C85 C88 H88B 109.5 . .
C85 C88 H88C 109.5 . .
H88A C88 H88B 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
S9 C89 H89A 108.8 . .
S9 C89 H89B 108.8 . .
H89A C89 H89B 107.7 . .
C90 C89 S9 113.7(5) . .
C90 C89 H89A 108.8 . .
C90 C89 H89B 108.8 . .
C91 C90 C89 120.5(8) . .
C95 C90 C89 122.4(8) . .
C95 C90 C91 117.1(8) . .
C90 C91 H91 119.6 . .
C90 C91 C92 120.8(10) . .
C92 C91 H91 119.6 . .
C91 C92 H92 119.0 . .
C93 C92 C91 121.9(11) . .
C93 C92 H92 119.0 . .
C92 C93 C96 118.9(14) . .
C94 C93 C92 115.8(10) . .
C94 C93 C96 125.3(14) . .
C93 C94 H94 118.6 . .
C93 C94 C95 122.8(11) . .
C95 C94 H94 118.6 . .
C90 C95 C94 121.5(10) . .
C90 C95 H95 119.2 . .
C94 C95 H95 119.2 . .
C93 C96 C97 108.2(16) . .
C93 C96 C99A 105.3(19) . .
C98 C96 C93 109.4(13) . .
C98 C96 C97 101.9(16) . .
C99 C96 C93 110.0(14) . .
C99 C96 C97 115.6(17) . .
C99 C96 C98 111.4(19) . .
C97A C96 C93 107.7(11) . .
C97A C96 C99A 99.9(17) . .
C98A C96 C93 121.9(17) . .
C98A C96 C99A 104(2) . .
C98A C96 C97A 115.1(15) . .
C96 C97 H97A 109.5 . .
C96 C97 H97B 109.5 . .
C96 C97 H97C 109.5 . .
H97A C97 H97B 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
C96 C98 H98A 109.5 . .
C96 C98 H98B 109.5 . .
C96 C98 H98C 109.5 . .
H98A C98 H98B 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
C96 C99 H99A 109.5 . .
C96 C99 H99B 109.5 . .
C96 C99 H99C 109.5 . .
H99A C99 H99B 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
C96 C99A H99D 109.5 . .
C96 C99A H99E 109.5 . .
C96 C99A H99F 109.5 . .
H99D C99A H99E 109.5 . .
H99D C99A H99F 109.5 . .
H99E C99A H99F 109.5 . .
C96 C97A H97D 109.5 . .
C96 C97A H97E 109.5 . .
C96 C97A H97F 109.5 . .
H97D C97A H97E 109.5 . .
H97D C97A H97F 109.5 . .
H97E C97A H97F 109.5 . .
C96 C98A H98D 109.5 . .
C96 C98A H98E 109.5 . .
C96 C98A H98F 109.5 . .
H98D C98A H98E 109.5 . .
H98D C98A H98F 109.5 . .
H98E C98A H98F 109.5 . .
S10 C100 H10D 108.5 . .
S10 C100 H10E 108.5 . .
H10D C100 H10E 107.5 . .
C101 C100 S10 115.1(5) . .
C101 C100 H10D 108.5 . .
C101 C100 H10E 108.5 . .
C102 C101 C100 119.2(6) . .
C102 C101 C106 117.4(6) . .
C106 C101 C100 123.4(6) . .
C101 C102 H102 119.4 . .
C101 C102 C103 121.2(7) . .
C103 C102 H102 119.4 . .
C102 C103 H103 119.2 . .
C104 C103 C102 121.7(7) . .
C104 C103 H103 119.2 . .
C103 C104 C105 117.3(6) . .
C103 C104 C107 121.8(7) . .
C105 C104 C107 120.8(7) . .
C104 C105 H105 119.6 . .
C106 C105 C104 120.8(7) . .
C106 C105 H105 119.6 . .
C101 C106 H106 119.2 . .
C105 C106 C101 121.5(7) . .
C105 C106 H106 119.2 . .
C108 C107 C104 108.3(8) . .
C108 C107 C109 109.9(9) . .
C108 C107 C110 110.2(9) . .
C109 C107 C104 109.5(7) . .
C110 C107 C104 112.5(7) . .
C110 C107 C109 106.4(9) . .
C107 C108 H10F 109.5 . .
C107 C108 H10G 109.5 . .
C107 C108 H10H 109.5 . .
H10F C108 H10G 109.5 . .
H10F C108 H10H 109.5 . .
H10G C108 H10H 109.5 . .
C107 C109 H10I 109.5 . .
C107 C109 H10J 109.5 . .
C107 C109 H10K 109.5 . .
H10I C109 H10J 109.5 . .
H10I C109 H10K 109.5 . .
H10J C109 H10K 109.5 . .
C107 C110 H11D 109.5 . .
C107 C110 H11E 109.5 . .
C107 C110 H11F 109.5 . .
H11D C110 H11E 109.5 . .
H11D C110 H11F 109.5 . .
H11E C110 H11F 109.5 . .
S11 C111 H11G 108.9 . .
S11 C111 H11H 108.9 . .
H11G C111 H11H 107.7 . .
C112 C111 S11 113.6(5) . .
C112 C111 H11G 108.9 . .
C112 C111 H11H 108.9 . .
C113 C112 C111 122.0(6) . .
C117 C112 C111 121.6(6) . .
C117 C112 C113 116.5(6) . .
C112 C113 H113 119.4 . .
C114 C113 C112 121.3(7) . .
C114 C113 H113 119.4 . .
C113 C114 H114 118.7 . .
C113 C114 C115 122.6(8) . .
C115 C114 H114 118.7 . .
C114 C115 C118 123.0(8) . .
C116 C115 C114 115.7(7) . .
C116 C115 C118 121.2(8) . .
C115 C116 H116 118.8 . .
C115 C116 C117 122.5(7) . .
C117 C116 H116 118.8 . .
C112 C117 C116 121.3(7) . .
C112 C117 H117 119.3 . .
C116 C117 H117 119.3 . .
C115 C118 C120 99.8(10) . .
C119 C118 C115 115.2(8) . .
C119 C118 C120 98.5(10) . .
C119 C118 C121 127.0(10) . .
C121 C118 C115 114.5(8) . .
C121 C118 C120 90.3(9) . .
C118 C119 H11I 109.5 . .
C118 C119 H11J 109.5 . .
C118 C119 H11K 109.5 . .
H11I C119 H11J 109.5 . .
H11I C119 H11K 109.5 . .
H11J C119 H11K 109.5 . .
C118 C120 H12C 109.5 . .
C118 C120 H12D 109.5 . .
C118 C120 H12E 109.5 . .
H12C C120 H12D 109.5 . .
H12C C120 H12E 109.5 . .
H12D C120 H12E 109.5 . .
C118 C121 H12F 109.5 . .
C118 C121 H12G 109.5 . .
C118 C121 H12H 109.5 . .
H12F C121 H12G 109.5 . .
H12F C121 H12H 109.5 . .
H12G C121 H12H 109.5 . .
S12 C122 H12I 108.6 . .
S12 C122 H12J 108.6 . .
H12I C122 H12J 107.5 . .
C123 C122 S12 114.8(4) . .
C123 C122 H12I 108.6 . .
C123 C122 H12J 108.6 . .
C124 C123 C122 118.6(6) . .
C124 C123 C128 117.3(6) . .
C128 C123 C122 124.1(6) . .
C123 C124 H124 119.3 . .
C123 C124 C125 121.4(7) . .
C125 C124 H124 119.3 . .
C124 C125 H125 119.2 . .
C126 C125 C124 121.7(7) . .
C126 C125 H125 119.2 . .
C125 C126 C127 117.2(7) . .
C125 C126 C129 122.4(7) . .
C127 C126 C129 120.0(7) . .
C126 C127 H127 119.1 . .
C126 C127 C128 121.8(7) . .
C128 C127 H127 119.1 . .
C123 C128 H128 119.8 . .
C127 C128 C123 120.5(7) . .
C127 C128 H128 119.8 . .
C130 C129 C126 111.0(7) . .
C130 C129 C132 107.3(9) . .
C131 C129 C126 110.6(8) . .
C131 C129 C130 110.9(8) . .
C131 C129 C132 109.6(8) . .
C132 C129 C126 107.4(7) . .
C129 C130 H13A 109.5 . .
C129 C130 H13B 109.5 . .
C129 C130 H13C 109.5 . .
H13A C130 H13B 109.5 . .
H13A C130 H13C 109.5 . .
H13B C130 H13C 109.5 . .
C129 C131 H13D 109.5 . .
C129 C131 H13E 109.5 . .
C129 C131 H13F 109.5 . .
H13D C131 H13E 109.5 . .
H13D C131 H13F 109.5 . .
H13E C131 H13F 109.5 . .
C129 C132 H13G 109.5 . .
C129 C132 H13H 109.5 . .
C129 C132 H13I 109.5 . .
H13G C132 H13H 109.5 . .
H13G C132 H13I 109.5 . .
H13H C132 H13I 109.5 . .
S13 C133 H13J 109.6 . .
S13 C133 H13K 109.6 . .
H13J C133 H13K 108.1 . .
C134 C133 S13 110.4(5) . .
C134 C133 H13J 109.6 . .
C134 C133 H13K 109.6 . .
C135 C134 C133 119.9(7) . .
C139 C134 C133 121.9(7) . .
C139 C134 C135 118.2(7) . .
C134 C135 H135 119.8 . .
C136 C135 C134 120.3(8) . .
C136 C135 H135 119.8 . .
C135 C136 H136 119.3 . .
C137 C136 C135 121.4(8) . .
C137 C136 H136 119.3 . .
C136 C137 C138 117.5(7) . .
C136 C137 C140 122.8(8) . .
C138 C137 C140 119.6(9) . .
C137 C138 H138 119.2 . .
C137 C138 C139 121.5(8) . .
C139 C138 H138 119.2 . .
C134 C139 C138 121.0(8) . .
C134 C139 H139 119.5 . .
C138 C139 H139 119.5 . .
C141 C140 C137 106.7(8) . .
C141 C140 C143 110.5(9) . .
C142 C140 C137 109.8(8) . .
C142 C140 C141 110.3(9) . .
C142 C140 C143 109.3(9) . .
C143 C140 C137 110.2(9) . .
C140 C141 H14A 109.5 . .
C140 C141 H14B 109.5 . .
C140 C141 H14C 109.5 . .
H14A C141 H14B 109.5 . .
H14A C141 H14C 109.5 . .
H14B C141 H14C 109.5 . .
C140 C142 H14D 109.5 . .
C140 C142 H14E 109.5 . .
C140 C142 H14F 109.5 . .
H14D C142 H14E 109.5 . .
H14D C142 H14F 109.5 . .
H14E C142 H14F 109.5 . .
C140 C143 H14G 109.5 . .
C140 C143 H14H 109.5 . .
C140 C143 H14I 109.5 . .
H14G C143 H14H 109.5 . .
H14G C143 H14I 109.5 . .
H14H C143 H14I 109.5 . .
S14 C144 H14J 109.3 . .
S14 C144 H14K 109.3 . .
H14J C144 H14K 107.9 . .
C145 C144 S14 111.8(4) . .
C145 C144 H14J 109.3 . .
C145 C144 H14K 109.3 . .
C146 C145 C144 119.2(7) . .
C150 C145 C144 122.1(6) . .
C150 C145 C146 118.7(6) . .
C145 C146 H146 119.6 . .
C145 C146 C147 120.8(8) . .
C147 C146 H146 119.6 . .
C146 C147 H147 119.8 . .
C148 C147 C146 120.4(7) . .
C148 C147 H147 119.8 . .
C147 C148 C149 118.3(7) . .
C147 C148 C151 118.7(8) . .
C149 C148 C151 122.9(8) . .
C148 C149 H149 119.2 . .
C148 C149 C150 121.7(8) . .
C150 C149 H149 119.2 . .
C145 C150 C149 120.1(7) . .
C145 C150 H150 120.0 . .
C149 C150 H150 120.0 . .
C152 C151 C148 107.5(7) . .
C153 C151 C148 111.5(8) . .
C153 C151 C152 110.1(9) . .
C153 C151 C154 108.8(8) . .
C154 C151 C148 108.0(7) . .
C154 C151 C152 110.8(9) . .
C151 C152 H15A 109.5 . .
C151 C152 H15B 109.5 . .
C151 C152 H15C 109.5 . .
H15A C152 H15B 109.5 . .
H15A C152 H15C 109.5 . .
H15B C152 H15C 109.5 . .
C151 C153 H15D 109.5 . .
C151 C153 H15E 109.5 . .
C151 C153 H15F 109.5 . .
H15D C153 H15E 109.5 . .
H15D C153 H15F 109.5 . .
H15E C153 H15F 109.5 . .
C151 C154 H15G 109.5 . .
C151 C154 H15H 109.5 . .
C151 C154 H15I 109.5 . .
H15G C154 H15H 109.5 . .
H15G C154 H15I 109.5 . .
H15H C154 H15I 109.5 . .
C156 C155 P1 125.0(7) . .
C160 C155 P1 116.4(7) . .
C160 C155 C156 118.6(8) . .
C155 C156 H156 119.3 . .
C157 C156 C155 121.4(11) . .
C157 C156 H156 119.3 . .
C156 C157 H157 120.0 . .
C158 C157 C156 119.9(12) . .
C158 C157 H157 120.0 . .
C157 C158 H158 119.9 . .
C157 C158 C159 120.3(11) . .
C159 C158 H158 119.9 . .
C158 C159 H159 120.0 . .
C160 C159 C158 120.0(11) . .
C160 C159 H159 120.0 . .
C155 C160 H160 120.1 . .
C159 C160 C155 119.8(10) . .
C159 C160 H160 120.1 . .
C162 C161 P1 124.1(7) . .
C162 C161 C166 118.7(8) . .
C166 C161 P1 117.2(6) . .
C161 C162 H162 119.7 . .
C163 C162 C161 120.6(9) . .
C163 C162 H162 119.7 . .
C162 C163 H163 119.7 . .
C164 C163 C162 120.5(10) . .
C164 C163 H163 119.7 . .
C163 C164 H164 119.8 . .
C163 C164 C165 120.4(9) . .
C165 C164 H164 119.8 . .
C164 C165 H165 120.5 . .
C164 C165 C166 119.1(9) . .
C166 C165 H165 120.5 . .
C161 C166 H166 119.7 . .
C165 C166 C161 120.7(8) . .
C165 C166 H166 119.7 . .
C168 C167 P1 121.0(6) . .
C168 C167 C172 116.1(7) . .
C172 C167 P1 122.9(7) . .
C167 C168 H168 119.7 . .
C167 C168 C169 120.6(9) . .
C169 C168 H168 119.7 . .
C168 C169 H169 119.5 . .
C170 C169 C168 121.0(10) . .
C170 C169 H169 119.5 . .
C169 C170 H170 119.9 . .
C169 C170 C171 120.2(9) . .
C171 C170 H170 119.9 . .
C170 C171 H171 120.2 . .
C170 C171 C172 119.6(9) . .
C172 C171 H171 120.2 . .
C167 C172 H172 118.8 . .
C171 C172 C167 122.5(9) . .
C171 C172 H172 118.8 . .
C174 C173 P2 124.3(5) . .
C174 C173 C178 116.9(6) . .
C178 C173 P2 118.8(5) . .
C173 C174 H174 120.0 . .
C175 C174 C173 120.1(7) . .
C175 C174 H174 120.0 . .
C174 C175 H175 118.7 . .
C176 C175 C174 122.5(7) . .
C176 C175 H175 118.7 . .
C175 C176 H176 120.7 . .
C175 C176 C177 118.5(7) . .
C177 C176 H176 120.7 . .
C176 C177 H177 119.6 . .
C178 C177 C176 120.7(7) . .
C178 C177 H177 119.6 . .
C173 C178 H178 119.4 . .
C177 C178 C173 121.3(7) . .
C177 C178 H178 119.4 . .
C180 C179 P2 125.3(6) . .
C184 C179 P2 117.7(6) . .
C184 C179 C180 117.0(7) . .
C179 C180 H180 119.7 . .
C181 C180 C179 120.7(9) . .
C181 C180 H180 119.7 . .
C180 C181 H181 119.3 . .
C180 C181 C182 121.3(9) . .
C182 C181 H181 119.3 . .
C181 C182 H182 120.3 . .
C183 C182 C181 119.3(9) . .
C183 C182 H182 120.3 . .
C182 C183 H183 119.8 . .
C182 C183 C184 120.4(8) . .
C184 C183 H183 119.8 . .
C179 C184 H184 119.4 . .
C183 C184 C179 121.3(7) . .
C183 C184 H184 119.4 . .
C186 C185 P2 123.6(6) . .
C190 C185 P2 118.2(5) . .
C190 C185 C186 118.2(6) . .
C185 C186 H186 119.7 . .
C187 C186 C185 120.6(8) . .
C187 C186 H186 119.7 . .
C186 C187 H187 119.9 . .
C188 C187 C186 120.2(8) . .
C188 C187 H187 119.9 . .
C187 C188 H188 119.6 . .
C187 C188 C189 120.9(8) . .
C189 C188 H188 119.6 . .
C188 C189 H189 120.2 . .
C188 C189 C190 119.5(8) . .
C190 C189 H189 120.2 . .
C185 C190 C189 120.6(7) . .
C185 C190 H190 119.7 . .
C189 C190 H190 119.7 . .
C192 C191 P3 117.5(6) . .
C196 C191 P3 123.2(6) . .
C196 C191 C192 119.3(7) . .
C191 C192 H192 120.1 . .
C191 C192 C193 119.7(8) . .
C193 C192 H192 120.1 . .
C192 C193 H193 120.6 . .
C194 C193 C192 118.7(9) . .
C194 C193 H193 120.6 . .
C193 C194 H194 119.8 . .
C195 C194 C193 120.3(9) . .
C195 C194 H194 119.8 . .
C194 C195 H195 119.2 . .
C194 C195 C196 121.6(10) . .
C196 C195 H195 119.2 . .
C191 C196 H196 119.8 . .
C195 C196 C191 120.4(9) . .
C195 C196 H196 119.8 . .
C198 C197 P3 123.1(6) . .
C202 C197 P3 118.3(5) . .
C202 C197 C198 118.6(7) . .
C197 C198 H198 119.9 . .
C197 C198 C199 120.2(8) . .
C199 C198 H198 119.9 . .
C198 C199 H199 119.9 . .
C200 C199 C198 120.2(8) . .
C200 C199 H199 119.9 . .
C199 C200 H200 119.5 . .
C199 C200 C201 120.9(8) . .
C201 C200 H200 119.5 . .
C200 C201 H201 120.9 . .
C200 C201 C202 118.3(8) . .
C202 C201 H201 120.9 . .
C197 C202 C201 121.7(7) . .
C197 C202 H202 119.1 . .
C201 C202 H202 119.1 . .
C204 C203 P3 124.1(6) . .
C204 C203 C208 117.5(6) . .
C208 C203 P3 118.3(5) . .
C203 C204 H204 119.6 . .
C205 C204 C203 120.8(8) . .
C205 C204 H204 119.6 . .
C204 C205 H205 119.3 . .
C204 C205 C206 121.3(8) . .
C206 C205 H205 119.3 . .
C205 C206 H206 120.2 . .
C205 C206 C207 119.6(7) . .
C207 C206 H206 120.2 . .
C206 C207 H207 120.0 . .
C206 C207 C208 119.9(7) . .
C208 C207 H207 120.0 . .
C203 C208 H208 119.6 . .
C207 C208 C203 120.7(7) . .
C207 C208 H208 119.6 . .
C210 C209 P4 118.1(7) . .
C214 C209 P4 123.6(7) . .
C214 C209 C210 118.3(8) . .
C209 C210 H210 118.8 . .
C211 C210 C209 122.3(10) . .
C211 C210 H210 118.8 . .
C210 C211 H211 120.1 . .
C210 C211 C212 119.7(10) . .
C212 C211 H211 120.1 . .
C211 C212 H212 120.9 . .
C213 C212 C211 118.2(10) . .
C213 C212 H212 120.9 . .
C212 C213 H213 119.6 . .
C214 C213 C212 120.9(10) . .
C214 C213 H213 119.6 . .
C209 C214 C213 120.6(9) . .
C209 C214 H214 119.7 . .
C213 C214 H214 119.7 . .
C216 C215 P4 118.6(5) . .
C216 C215 C220 117.3(7) . .
C220 C215 P4 124.1(6) . .
C215 C216 H216 118.5 . .
C215 C216 C217 122.9(8) . .
C217 C216 H216 118.5 . .
C216 C217 H217 120.5 . .
C218 C217 C216 118.9(9) . .
C218 C217 H217 120.5 . .
C217 C218 H218 119.8 . .
C219 C218 C217 120.4(8) . .
C219 C218 H218 119.8 . .
C218 C219 H219 119.8 . .
C218 C219 C220 120.4(8) . .
C220 C219 H219 119.8 . .
C215 C220 H220 120.0 . .
C219 C220 C215 120.1(8) . .
C219 C220 H220 120.0 . .
C222 C221 P4 123.4(6) . .
C226 C221 P4 119.9(5) . .
C226 C221 C222 116.6(7) . .
C221 C222 H222 119.1 . .
C223 C222 C221 121.8(7) . .
C223 C222 H222 119.1 . .
C222 C223 H223 119.9 . .
C222 C223 C224 120.2(8) . .
C224 C223 H223 119.9 . .
C223 C224 H224 119.9 . .
C223 C224 C225 120.2(8) . .
C225 C224 H224 119.9 . .
C224 C225 H225 120.7 . .
C226 C225 C224 118.7(7) . .
C226 C225 H225 120.7 . .
C221 C226 C225 122.3(7) . .
C221 C226 H226 118.9 . .
C225 C226 H226 118.9 . .
H25A C255 H25B 109.5 . .
H25A C255 H25C 109.5 . .
H25B C255 H25C 109.5 . .
C256 C255 H25A 109.5 . .
C256 C255 H25B 109.5 . .
C256 C255 H25C 109.5 . .
C255 C256 H25D 109.5 . .
C255 C256 H25E 109.5 . .
H25D C256 H25E 108.1 . .
C257 C256 C255 110.8(19) . .
C257 C256 H25D 109.5 . .
C257 C256 H25E 109.5 . .
C256 C257 H25F 106.5 . .
C256 C257 H25G 106.5 . .
C256 C257 C258 123(2) . .
H25F C257 H25G 106.5 . .
C258 C257 H25F 106.5 . .
C258 C257 H25G 106.5 . .
C257 C258 H25H 110.2 . .
C257 C258 H25I 110.2 . .
C257 C258 C259 107.3(17) . .
H25H C258 H25I 108.5 . .
C259 C258 H25H 110.2 . .
C259 C258 H25I 110.2 . .
C258 C259 H25J 107.9 . .
C258 C259 H25K 107.9 . .
H25J C259 H25K 107.2 . .
C260 C259 C258 118(2) . .
C260 C259 H25J 107.9 . .
C260 C259 H25K 107.9 . .
C259 C260 H26A 108.3 . .
C259 C260 H26B 108.3 . .
C259 C260 C261 116(2) . .
H26A C260 H26B 107.4 . .
C261 C260 H26A 108.3 . .
C261 C260 H26B 108.3 . .
C260 C261 H26C 109.5 . .
C260 C261 H26D 109.5 . .
C260 C261 H26E 109.5 . .
H26C C261 H26D 109.5 . .
H26C C261 H26E 109.5 . .
H26D C261 H26E 109.5 . .
H24A C248 H24B 109.5 . .
H24A C248 H24C 109.5 . .
H24B C248 H24C 109.5 . .
C249 C248 H24A 109.5 . .
C249 C248 H24B 109.5 . .
C249 C248 H24C 109.5 . .
C248 C249 H24D 107.4 . .
C248 C249 H24E 107.4 . .
C248 C249 C250 120(2) . .
H24D C249 H24E 107.0 . .
C250 C249 H24D 107.4 . .
C250 C249 H24E 107.4 . .
C249 C250 H25L 109.8 . .
C249 C250 H25M 109.8 . .
C249 C250 C251 109.4(18) . .
H25L C250 H25M 108.2 . .
C251 C250 H25L 109.8 . .
C251 C250 H25M 109.8 . .
C250 C251 H25N 109.8 . .
C250 C251 H25O 109.8 . .
H25N C251 H25O 108.3 . .
C252 C251 C250 109.4(19) . .
C252 C251 H25N 109.8 . .
C252 C251 H25O 109.8 . .
C251 C252 H25P 109.2 . .
C251 C252 H25Q 109.2 . .
C251 C252 C253 111.8(19) . .
H25P C252 H25Q 107.9 . .
C253 C252 H25P 109.2 . .
C253 C252 H25Q 109.2 . .
C252 C253 H25R 111.6 . .
C252 C253 H25S 111.6 . .
C252 C253 C254 101.1(16) . .
H25R C253 H25S 109.4 . .
C254 C253 H25R 111.6 . .
C254 C253 H25S 111.6 . .
C253 C254 H25T 109.5 . .
C253 C254 H25U 109.5 . .
C253 C254 H25V 109.5 . .
H25T C254 H25U 109.5 . .
H25T C254 H25V 109.5 . .
H25U C254 H25V 109.5 . .
H26F C262 H26G 109.5 . .
H26F C262 H26H 109.5 . .
H26G C262 H26H 109.5 . .
C263 C262 H26F 109.5 . .
C263 C262 H26G 109.5 . .
C263 C262 H26H 109.5 . .
C262 C263 H26I 109.0 . .
C262 C263 H26J 109.0 . .
H26I C263 H26J 107.8 . .
C264 C263 C262 112.9(18) . .
C264 C263 H26I 109.0 . .
C264 C263 H26J 109.0 . .
C263 C264 H26K 109.1 . .
C263 C264 H26L 109.1 . .
C263 C264 C265 112(2) . .
H26K C264 H26L 107.8 . .
C265 C264 H26K 109.1 . .
C265 C264 H26L 109.1 . .
C264 C265 H26M 109.8 . .
C264 C265 H26N 109.8 . .
C264 C265 C266 109.3(19) . .
H26M C265 H26N 108.3 . .
C266 C265 H26M 109.8 . .
C266 C265 H26N 109.8 . .
C265 C266 H26O 91.5 . .
C265 C266 H26P 91.5 . .
H26O C266 H26P 102.9 . .
C267 C266 C265 175(7) . .
C267 C266 H26O 91.5 . .
C267 C266 H26P 91.5 . .
C266 C267 H26Q 109.9 . .
C266 C267 H26R 109.9 . .
H26Q C267 H26R 108.3 . .
C268 C267 C266 109(2) . .
C268 C267 H26Q 109.9 . .
C268 C267 H26R 109.9 . .
C267 C268 H26S 109.5 . .
C267 C268 H26T 109.5 . .
C267 C268 H26U 109.5 . .
H26S C268 H26T 109.5 . .
H26S C268 H26U 109.5 . .
H26T C268 H26U 109.5 . .
H23C C234 H23D 109.5 . .
H23C C234 H23E 109.5 . .
H23D C234 H23E 109.5 . .
C235 C234 H23C 109.5 . .
C235 C234 H23D 109.5 . .
C235 C234 H23E 109.5 . .
C234 C235 H23F 110.1 . .
C234 C235 H23G 110.1 . .
H23F C235 H23G 108.4 . .
C236 C235 C234 108.1(15) . .
C236 C235 H23F 110.1 . .
C236 C235 H23G 110.1 . .
C235 C236 H23H 109.4 . .
C235 C236 H23I 109.4 . .
C235 C236 C237 111.3(16) . .
H23H C236 H23I 108.0 . .
C237 C236 H23H 109.4 . .
C237 C236 H23I 109.4 . .
C236 C237 H23J 110.4 . .
C236 C237 H23K 110.4 . .
C236 C237 C238 106.8(16) . .
H23J C237 H23K 108.6 . .
C238 C237 H23J 110.4 . .
C238 C237 H23K 110.4 . .
C237 C238 H23L 110.3 . .
C237 C238 H23M 110.3 . .
H23L C238 H23M 108.5 . .
C239 C238 C237 107.3(16) . .
C239 C238 H23L 110.3 . .
C239 C238 H23M 110.3 . .
C238 C239 H23N 110.3 . .
C238 C239 H23O 110.3 . .
H23N C239 H23O 108.5 . .
C240 C239 C238 107.2(17) . .
C240 C239 H23N 110.3 . .
C240 C239 H23O 110.3 . .
C239 C240 H24F 109.5 . .
C239 C240 H24G 109.5 . .
C239 C240 H24H 109.5 . .
H24F C240 H24G 109.5 . .
H24F C240 H24H 109.5 . .
H24G C240 H24H 109.5 . .
H22D C227 H22E 109.5 . .
H22D C227 H22F 109.5 . .
H22E C227 H22F 109.5 . .
C228 C227 H22D 109.5 . .
C228 C227 H22E 109.5 . .
C228 C227 H22F 109.5 . .
C227 C228 H22G 109.4 . .
C227 C228 H22H 109.4 . .
C227 C228 C229 111.0(18) . .
H22G C228 H22H 108.0 . .
C229 C228 H22G 109.4 . .
C229 C228 H22H 109.4 . .
C228 C229 H22I 108.2 . .
C228 C229 H22J 108.2 . .
H22I C229 H22J 107.4 . .
C230 C229 C228 116.2(18) . .
C230 C229 H22I 108.2 . .
C230 C229 H22J 108.2 . .
C229 C230 H23P 108.2 . .
C229 C230 H23Q 108.2 . .
C229 C230 C231 116.2(17) . .
H23P C230 H23Q 107.4 . .
C231 C230 H23P 108.2 . .
C231 C230 H23Q 108.2 . .
C230 C231 H23R 109.9 . .
C230 C231 H23S 109.9 . .
C230 C231 C232 109.1(17) . .
H23R C231 H23S 108.3 . .
C232 C231 H23R 109.9 . .
C232 C231 H23S 109.9 . .
C231 C232 H23T 110.4 . .
C231 C232 H23U 110.4 . .
H23T C232 H23U 108.6 . .
C233 C232 C231 106.7(16) . .
C233 C232 H23T 110.4 . .
C233 C232 H23U 110.4 . .
C232 C233 H23V 109.5 . .
C232 C233 H23W 109.5 . .
C232 C233 H23X 109.5 . .
H23V C233 H23W 109.5 . .
H23V C233 H23X 109.5 . .
H23W C233 H23X 109.5 . .
C30 C32A H32D 109.5 . .
C30 C32A H32E 109.5 . .
C30 C32A H32F 109.5 . .
H32D C32A H32E 109.5 . .
H32D C32A H32F 109.5 . .
H32E C32A H32F 109.5 . .
C30 C33A H33D 109.5 . .
C30 C33A H33E 109.5 . .
C30 C33A H33F 109.5 . .
H33D C33A H33E 109.5 . .
H33D C33A H33F 109.5 . .
H33E C33A H33F 109.5 . .
C30 C31A H31D 109.5 . .
C30 C31A H31E 109.5 . .
C30 C31A H31F 109.5 . .
H31D C31A H31E 109.5 . .
H31D C31A H31F 109.5 . .
H31E C31A H31F 109.5 . .
H68A C68B H68B 108.1 . .
C69B C68B H68A 109.6 . .
C69B C68B H68B 109.6 . .
C66B C68B H68A 109.6 . .
C66B C68B H68B 109.6 . .
C66B C68B C69B 110.3(18) . .
H65G C65B H65H 108.0 . .
C66B C65B H65G 109.4 . .
C66B C65B H65H 109.4 . .
C66B C65B C64B 111.1(19) . .
C64B C65B H65G 109.4 . .
C64B C65B H65H 109.4 . .
H63A C63B H63B 108.6 . .
C64B C63B H63A 110.4 . .
C64B C63B H63B 110.4 . .
C62B C63B H63A 110.4 . .
C62B C63B H63B 110.4 . .
C62B C63B C64B 106.4(18) . .
C68B C69B H69A 109.5 . .
C68B C69B H69B 109.5 . .
C68B C69B H69C 109.5 . .
H69A C69B H69B 109.5 . .
H69A C69B H69C 109.5 . .
H69B C69B H69C 109.5 . .
C68B C66B H66G 108.2 . .
C68B C66B H66H 108.2 . .
C65B C66B C68B 116(2) . .
C65B C66B H66G 108.2 . .
C65B C66B H66H 108.2 . .
H66G C66B H66H 107.3 . .
C65B C64B C63B 108.5(18) . .
C65B C64B H64G 110.0 . .
C65B C64B H64H 110.0 . .
C63B C64B H64G 110.0 . .
C63B C64B H64H 110.0 . .
H64G C64B H64H 108.4 . .
C63 C64A H64D 109.5 . .
C63 C64A H64E 109.5 . .
C63 C64A H64F 109.5 . .
H64D C64A H64E 109.5 . .
H64D C64A H64F 109.5 . .
H64E C64A H64F 109.5 . .
C63 C66A H66D 109.5 . .
C63 C66A H66E 109.5 . .
C63 C66A H66F 109.5 . .
H66D C66A H66E 109.5 . .
H66D C66A H66F 109.5 . .
H66E C66A H66F 109.5 . .
C63 C65A H65D 109.5 . .
C63 C65A H65E 109.5 . .
C63 C65A H65F 109.5 . .
H65D C65A H65E 109.5 . .
H65D C65A H65F 109.5 . .
H65E C65A H65F 109.5 . .
C63B C62B H62A 109.5 . .
C63B C62B H62B 109.5 . .
C63B C62B H62C 109.5 . .
H62A C62B H62B 109.5 . .
H62A C62B H62C 109.5 . .
H62B C62B H62C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 Cu22 2.7949(13) .
Cu1 Cu23 2.6113(12) .
Cu1 Cu24 2.7499(12) .
Cu1 S12 2.240(2) .
Cu1 S14 2.2885(19) .
Cu1 S20 2.3293(18) .
Cu2 S5 2.3723(18) .
Cu2 S6 2.4238(19) .
Cu2 S7 2.3866(18) .
Cu2 P2 2.258(2) .
Cu3 S10 2.3892(19) .
Cu3 S11 2.3679(18) .
Cu3 S12 2.4399(19) .
Cu3 P3 2.259(2) .
Cu4 S1 2.260(2) 2_655
Cu4 S20 2.3230(18) .
Cu4 P4 2.235(2) .
Cu5 Cu7 2.6237(13) .
Cu5 Cu23 2.6552(13) 2_655
Cu5 S1 2.294(2) .
Cu5 S2 2.2902(19) .
Cu5 S11 2.3482(18) 2_655
Cu6 Cu7 2.6320(13) .
Cu6 Cu8 2.6954(13) .
Cu6 Cu19 2.7552(12) 2_655
Cu6 S2 2.2702(19) .
Cu6 S3 2.3169(19) .
Cu6 S9 2.275(2) 2_655
Cu7 Cu8 2.9430(13) .
Cu7 Cu10 2.6956(14) .
Cu7 Cu23 2.7024(12) 2_655
Cu7 S2 2.3420(19) .
Cu7 S15 2.2437(19) .
Cu7 S19 2.3450(18) 2_655
Cu8 Cu9 2.7080(13) .
Cu8 Cu21 2.6917(13) 2_655
Cu8 Cu26 3.0041(9) .
Cu8 S3 2.2859(17) .
Cu8 S17 2.3178(18) 2_655
Cu8 S19 2.3276(17) 2_655
Cu9 Cu11 2.6712(13) .
Cu9 Cu13 2.7741(12) .
Cu9 S3 2.2860(19) .
Cu9 S6 2.2399(19) .
Cu9 S15 2.3237(18) .
Cu10 Cu11 2.6929(13) .
Cu10 Cu20 3.0126(14) .
Cu10 Cu23 2.8075(13) 2_655
Cu10 Cu25 2.5982(13) 2_655
Cu10 S4 2.528(2) .
Cu10 S15 2.2797(18) .
Cu10 S20 2.2549(18) 2_655
Cu11 Cu12 2.6557(13) .
Cu11 Cu13 2.7594(12) .
Cu11 Cu25 2.8083(12) 2_655
Cu11 S5 2.3120(19) .
Cu11 S15 2.2684(19) .
Cu11 S16 2.3450(17) .
Cu12 Cu25 2.5767(13) 2_655
Cu12 S4 2.285(2) .
Cu12 S5 2.3052(18) .
Cu12 S13 2.2697(19) 2_655
Cu13 Cu21 2.7451(13) 2_655
Cu13 Cu26 2.8154(10) .
Cu13 S6 2.2407(18) .
Cu13 S16 2.2972(17) .
Cu13 S17 2.3545(18) .
Cu14 Cu15 2.8473(13) 2_655
Cu14 Cu24 2.7151(13) .
Cu14 Cu25 2.5988(12) .
Cu14 S8 2.2575(19) 2_655
Cu14 S13 2.2690(19) .
Cu14 S14 2.3068(19) .
Cu15 Cu14 2.8474(13) 2_655
Cu15 Cu17 3.0374(14) .
Cu15 Cu18 2.7798(13) .
Cu15 S7 2.2531(18) .
Cu15 S8 2.2499(18) .
Cu15 S16 2.3394(18) .
Cu16 Cu17 2.8525(13) .
Cu16 Cu19 2.7501(13) .
Cu16 S7 2.219(2) .
Cu16 S9 2.2501(18) .
Cu16 S17 2.303(2) .
Cu17 Cu18 2.8423(13) .
Cu17 Cu19 3.0456(13) .
Cu17 Cu26 2.7158(12) .
Cu17 Cu27 2.7154(12) .
Cu17 S17 2.2021(19) .
Cu17 S18 2.1975(19) .
Cu18 S8 2.247(2) .
Cu18 S10 2.2147(18) .
Cu18 S18 2.3123(19) .
Cu19 Cu6 2.7549(12) 2_655
Cu19 S9 2.2698(18) .
Cu19 S10 2.2648(18) .
Cu19 S19 2.3348(19) .
Cu20 S4 2.267(2) .
Cu20 S15 2.3145(19) .
Cu20 P1 2.202(2) .
Cu21 Cu8 2.6916(13) 2_655
Cu21 Cu13 2.7453(13) 2_655
Cu21 Cu22 2.7450(13) .
Cu21 Cu24 2.6865(13) .
Cu21 S16 2.1740(19) 2_655
Cu21 S19 2.1684(19) .
Cu22 Cu23 2.8744(12) .
Cu22 Cu27 2.8193(9) .
Cu22 S12 2.2547(18) .
Cu22 S18 2.3727(18) .
Cu22 S19 2.2865(18) .
Cu23 Cu5 2.6552(13) 2_655
Cu23 Cu7 2.7022(12) 2_655
Cu23 Cu10 2.8074(13) 2_655
Cu23 S11 2.2986(19) .
Cu23 S19 2.3499(18) .
Cu23 S20 2.2553(19) .
Cu24 Cu25 2.8524(12) .
Cu24 Cu27 2.9837(9) .
Cu24 S14 2.2920(18) .
Cu24 S16 2.3400(18) 2_655
Cu24 S18 2.3336(18) 2_655
Cu25 Cu10 2.5982(13) 2_655
Cu25 Cu11 2.8084(12) 2_655
Cu25 Cu12 2.5765(13) 2_655
Cu25 S13 2.3988(19) .
Cu25 S16 2.3121(18) 2_655
Cu25 S20 2.2707(18) .
Cu26 Cu8 3.0042(9) 2_655
Cu26 Cu13 2.8154(10) 2_655
Cu26 Cu17 2.7159(12) 2_655
Cu26 S17 2.1693(17) 2_655
Cu26 S17 2.1693(17) .
Cu27 Cu17 2.7156(12) 2_655
Cu27 Cu22 2.8192(9) 2_655
Cu27 Cu24 2.9838(9) 2_655
Cu27 S18 2.1659(17) 2_655
Cu27 S18 2.1658(17) .
S1 Cu4 2.260(2) 2_655
S1 C1 1.857(8) .
S2 C12 1.831(7) .
S3 C23 1.840(6) .
S4 C34 1.803(7) .
S5 C45 1.837(6) .
S6 C56 1.824(6) .
S7 C67 1.821(7) .
S8 Cu14 2.2575(19) 2_655
S8 C78 1.847(7) .
S9 Cu6 2.275(2) 2_655
S9 C89 1.841(7) .
S10 C100 1.834(7) .
S11 Cu5 2.3483(18) 2_655
S11 C111 1.826(6) .
S12 C122 1.831(6) .
S13 Cu12 2.2696(19) 2_655
S13 C133 1.843(6) .
S14 C144 1.833(6) .
S16 Cu21 2.1739(19) 2_655
S16 Cu24 2.3400(18) 2_655
S16 Cu25 2.3121(18) 2_655
S17 Cu8 2.3176(18) 2_655
S18 Cu24 2.3337(18) 2_655
S19 Cu7 2.3450(18) 2_655
S19 Cu8 2.3276(17) 2_655
S20 Cu10 2.2548(18) 2_655
P1 C155 1.818(9) .
P1 C161 1.825(8) .
P1 C167 1.812(8) .
P2 C173 1.807(7) .
P2 C179 1.804(8) .
P2 C185 1.816(7) .
P3 C191 1.821(7) .
P3 C197 1.815(7) .
P3 C203 1.805(7) .
P4 C209 1.816(9) .
P4 C215 1.812(8) .
P4 C221 1.804(7) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C1 C2 1.528(11) .
C2 C3 1.396(11) .
C2 C7 1.361(12) .
C3 H3 0.9500 .
C3 C4 1.376(12) .
C4 H4 0.9500 .
C4 C5 1.369(12) .
C5 C6 1.403(12) .
C5 C8 1.503(12) .
C6 H6 0.9500 .
C6 C7 1.397(13) .
C7 H7 0.9500 .
C8 C9 1.568(13) .
C8 C10 1.517(14) .
C8 C11 1.541(12) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C12 C13 1.545(11) .
C13 C14 1.367(13) .
C13 C18 1.367(12) .
C14 H14 0.9500 .
C14 C15 1.415(14) .
C15 H15 0.9500 .
C15 C16 1.382(13) .
C16 C17 1.401(13) .
C16 C19 1.557(13) .
C17 H17 0.9500 .
C17 C18 1.387(12) .
C18 H18 0.9500 .
C19 C20 1.532(15) .
C19 C21 1.529(14) .
C19 C22 1.521(15) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C23 C24 1.513(9) .
C24 C25 1.365(10) .
C24 C29 1.395(10) .
C25 H25 0.9500 .
C25 C26 1.411(12) .
C26 H26 0.9500 .
C26 C27 1.372(14) .
C27 C28 1.413(14) .
C27 C30 1.580(13) .
C28 H28 0.9500 .
C28 C29 1.394(10) .
C29 H29 0.9500 .
C30 C31 1.55(2) .
C30 C32 1.46(2) .
C30 C33 1.62(2) .
C30 C32A 1.53(3) .
C30 C33A 1.42(6) .
C30 C31A 1.56(5) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C34 C35 1.502(11) .
C35 C36 1.369(11) .
C35 C40 1.391(12) .
C36 H36 0.9500 .
C36 C37 1.397(13) .
C37 H37 0.9500 .
C37 C38 1.370(14) .
C38 C39 1.394(15) .
C38 C41 1.552(15) .
C39 H39 0.9500 .
C39 C40 1.395(13) .
C40 H40 0.9500 .
C41 C42 1.54(4) .
C41 C42A 1.48(3) .
C41 C43 1.58(4) .
C41 C43A 1.46(3) .
C41 C44A 1.60(3) .
C41 C44 1.61(3) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C42A H42D 0.9800 .
C42A H42E 0.9800 .
C42A H42F 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C43A H43D 0.9800 .
C43A H43E 0.9800 .
C43A H43F 0.9800 .
C44A H44A 0.9800 .
C44A H44B 0.9800 .
C44A H44C 0.9800 .
C44 H44D 0.9800 .
C44 H44E 0.9800 .
C44 H44F 0.9800 .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C45 C46 1.497(10) .
C46 C47 1.381(10) .
C46 C51 1.411(10) .
C47 H47 0.9500 .
C47 C48 1.358(11) .
C48 H48 0.9500 .
C48 C49 1.416(13) .
C49 C50 1.381(14) .
C49 C52 1.534(14) .
C50 H50 0.9500 .
C50 C51 1.361(12) .
C51 H51 0.9500 .
C52 C53 1.46(2) .
C52 C54 1.547(18) .
C52 C55 1.550(18) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C56 C57 1.517(9) .
C57 C58 1.395(10) .
C57 C62 1.379(10) .
C58 H58 0.9500 .
C58 C59 1.379(10) .
C59 H59 0.9500 .
C59 C60 1.395(11) .
C60 C61 1.382(11) .
C60 C63 1.544(11) .
C61 H61 0.9500 .
C61 C62 1.384(10) .
C62 H62 0.9500 .
C63 C64 1.446(17) .
C63 C65 1.569(17) .
C63 C66 1.64(2) .
C63 C64A 1.67(3) .
C63 C66A 1.29(3) .
C63 C65A 1.62(4) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C67 C68 1.505(9) .
C68 C69 1.386(9) .
C68 C73 1.402(10) .
C69 H69 0.9500 .
C69 C70 1.377(10) .
C70 H70 0.9500 .
C70 C71 1.372(10) .
C71 C72 1.388(12) .
C71 C74 1.538(12) .
C72 H72 0.9500 .
C72 C73 1.391(11) .
C73 H73 0.9500 .
C74 C75 1.564(17) .
C74 C76 1.519(13) .
C74 C77 1.514(16) .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 H76C 0.9800 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 H78A 0.9900 .
C78 H78B 0.9900 .
C78 C79 1.504(9) .
C79 C80 1.412(10) .
C79 C84 1.380(10) .
C80 H80 0.9500 .
C80 C81 1.377(10) .
C81 H81 0.9500 .
C81 C82 1.379(11) .
C82 C83 1.381(12) .
C82 C85 1.557(11) .
C83 H83 0.9500 .
C83 C84 1.388(11) .
C84 H84 0.9500 .
C85 C86 1.545(15) .
C85 C87 1.529(14) .
C85 C88 1.544(14) .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C89 H89A 0.9900 .
C89 H89B 0.9900 .
C89 C90 1.487(10) .
C90 C91 1.366(11) .
C90 C95 1.357(11) .
C91 H91 0.9500 .
C91 C92 1.408(14) .
C92 H92 0.9500 .
C92 C93 1.364(17) .
C93 C94 1.361(16) .
C93 C96 1.568(16) .
C94 H94 0.9500 .
C94 C95 1.381(13) .
C95 H95 0.9500 .
C96 C97 1.611(17) .
C96 C98 1.55(3) .
C96 C99 1.47(3) .
C96 C99A 1.74(4) .
C96 C97A 1.540(15) .
C96 C98A 1.444(17) .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
C99A H99D 0.9800 .
C99A H99E 0.9800 .
C99A H99F 0.9800 .
C97A H97D 0.9800 .
C97A H97E 0.9800 .
C97A H97F 0.9800 .
C98A H98D 0.9800 .
C98A H98E 0.9800 .
C98A H98F 0.9800 .
C100 H10D 0.9900 .
C100 H10E 0.9900 .
C100 C101 1.508(9) .
C101 C102 1.377(9) .
C101 C106 1.390(9) .
C102 H102 0.9500 .
C102 C103 1.391(10) .
C103 H103 0.9500 .
C103 C104 1.379(10) .
C104 C105 1.395(10) .
C104 C107 1.545(10) .
C105 H105 0.9500 .
C105 C106 1.388(10) .
C106 H106 0.9500 .
C107 C108 1.493(14) .
C107 C109 1.527(14) .
C107 C110 1.499(12) .
C108 H10F 0.9800 .
C108 H10G 0.9800 .
C108 H10H 0.9800 .
C109 H10I 0.9800 .
C109 H10J 0.9800 .
C109 H10K 0.9800 .
C110 H11D 0.9800 .
C110 H11E 0.9800 .
C110 H11F 0.9800 .
C111 H11G 0.9900 .
C111 H11H 0.9900 .
C111 C112 1.488(9) .
C112 C113 1.392(10) .
C112 C117 1.388(9) .
C113 H113 0.9500 .
C113 C114 1.365(10) .
C114 H114 0.9500 .
C114 C115 1.400(12) .
C115 C116 1.365(11) .
C115 C118 1.518(12) .
C116 H116 0.9500 .
C116 C117 1.389(10) .
C117 H117 0.9500 .
C118 C119 1.332(13) .
C118 C120 1.89(2) .
C118 C121 1.466(12) .
C119 H11I 0.9800 .
C119 H11J 0.9800 .
C119 H11K 0.9800 .
C120 H12C 0.9800 .
C120 H12D 0.9800 .
C120 H12E 0.9800 .
C121 H12F 0.9800 .
C121 H12G 0.9800 .
C121 H12H 0.9800 .
C122 H12I 0.9900 .
C122 H12J 0.9900 .
C122 C123 1.523(9) .
C123 C124 1.368(10) .
C123 C128 1.386(9) .
C124 H124 0.9500 .
C124 C125 1.389(11) .
C125 H125 0.9500 .
C125 C126 1.355(11) .
C126 C127 1.378(10) .
C126 C129 1.557(10) .
C127 H127 0.9500 .
C127 C128 1.382(10) .
C128 H128 0.9500 .
C129 C130 1.532(13) .
C129 C131 1.492(13) .
C129 C132 1.546(13) .
C130 H13A 0.9800 .
C130 H13B 0.9800 .
C130 H13C 0.9800 .
C131 H13D 0.9800 .
C131 H13E 0.9800 .
C131 H13F 0.9800 .
C132 H13G 0.9800 .
C132 H13H 0.9800 .
C132 H13I 0.9800 .
C133 H13J 0.9900 .
C133 H13K 0.9900 .
C133 C134 1.511(10) .
C134 C135 1.406(10) .
C134 C139 1.354(11) .
C135 H135 0.9500 .
C135 C136 1.397(11) .
C136 H136 0.9500 .
C136 C137 1.372(12) .
C137 C138 1.386(12) .
C137 C140 1.576(12) .
C138 H138 0.9500 .
C138 C139 1.400(11) .
C139 H139 0.9500 .
C140 C141 1.544(15) .
C140 C142 1.532(14) .
C140 C143 1.548(16) .
C141 H14A 0.9800 .
C141 H14B 0.9800 .
C141 H14C 0.9800 .
C142 H14D 0.9800 .
C142 H14E 0.9800 .
C142 H14F 0.9800 .
C143 H14G 0.9800 .
C143 H14H 0.9800 .
C143 H14I 0.9800 .
C144 H14J 0.9900 .
C144 H14K 0.9900 .
C144 C145 1.513(9) .
C145 C146 1.396(10) .
C145 C150 1.381(10) .
C146 H146 0.9500 .
C146 C147 1.409(11) .
C147 H147 0.9500 .
C147 C148 1.377(11) .
C148 C149 1.395(11) .
C148 C151 1.560(11) .
C149 H149 0.9500 .
C149 C150 1.397(10) .
C150 H150 0.9500 .
C151 C152 1.548(14) .
C151 C153 1.517(14) .
C151 C154 1.542(13) .
C152 H15A 0.9800 .
C152 H15B 0.9800 .
C152 H15C 0.9800 .
C153 H15D 0.9800 .
C153 H15E 0.9800 .
C153 H15F 0.9800 .
C154 H15G 0.9800 .
C154 H15H 0.9800 .
C154 H15I 0.9800 .
C155 C156 1.401(12) .
C155 C160 1.395(12) .
C156 H156 0.9500 .
C156 C157 1.371(14) .
C157 H157 0.9500 .
C157 C158 1.362(17) .
C158 H158 0.9500 .
C158 C159 1.404(18) .
C159 H159 0.9500 .
C159 C160 1.385(15) .
C160 H160 0.9500 .
C161 C162 1.376(11) .
C161 C166 1.393(11) .
C162 H162 0.9500 .
C162 C163 1.369(12) .
C163 H163 0.9500 .
C163 C164 1.365(13) .
C164 H164 0.9500 .
C164 C165 1.379(12) .
C165 H165 0.9500 .
C165 C166 1.381(11) .
C166 H166 0.9500 .
C167 C168 1.386(11) .
C167 C172 1.397(11) .
C168 H168 0.9500 .
C168 C169 1.406(13) .
C169 H169 0.9500 .
C169 C170 1.337(13) .
C170 H170 0.9500 .
C170 C171 1.365(13) .
C171 H171 0.9500 .
C171 C172 1.377(11) .
C172 H172 0.9500 .
C173 C174 1.410(9) .
C173 C178 1.413(9) .
C174 H174 0.9500 .
C174 C175 1.378(10) .
C175 H175 0.9500 .
C175 C176 1.357(11) .
C176 H176 0.9500 .
C176 C177 1.392(10) .
C177 H177 0.9500 .
C177 C178 1.371(9) .
C178 H178 0.9500 .
C179 C180 1.394(11) .
C179 C184 1.389(10) .
C180 H180 0.9500 .
C180 C181 1.365(12) .
C181 H181 0.9500 .
C181 C182 1.367(13) .
C182 H182 0.9500 .
C182 C183 1.354(12) .
C183 H183 0.9500 .
C183 C184 1.381(11) .
C184 H184 0.9500 .
C185 C186 1.414(10) .
C185 C190 1.385(10) .
C186 H186 0.9500 .
C186 C187 1.386(11) .
C187 H187 0.9500 .
C187 C188 1.366(12) .
C188 H188 0.9500 .
C188 C189 1.381(12) .
C189 H189 0.9500 .
C189 C190 1.409(10) .
C190 H190 0.9500 .
C191 C192 1.391(10) .
C191 C196 1.387(11) .
C192 H192 0.9500 .
C192 C193 1.402(11) .
C193 H193 0.9500 .
C193 C194 1.398(13) .
C194 H194 0.9500 .
C194 C195 1.348(14) .
C195 H195 0.9500 .
C195 C196 1.356(13) .
C196 H196 0.9500 .
C197 C198 1.399(10) .
C197 C202 1.380(10) .
C198 H198 0.9500 .
C198 C199 1.401(11) .
C199 H199 0.9500 .
C199 C200 1.378(12) .
C200 H200 0.9500 .
C200 C201 1.385(12) .
C201 H201 0.9500 .
C201 C202 1.417(11) .
C202 H202 0.9500 .
C203 C204 1.409(10) .
C203 C208 1.413(9) .
C204 H204 0.9500 .
C204 C205 1.370(11) .
C205 H205 0.9500 .
C205 C206 1.377(11) .
C206 H206 0.9500 .
C206 C207 1.390(10) .
C207 H207 0.9500 .
C207 C208 1.393(9) .
C208 H208 0.9500 .
C209 C210 1.393(12) .
C209 C214 1.372(11) .
C210 H210 0.9500 .
C210 C211 1.349(12) .
C211 H211 0.9500 .
C211 C212 1.402(14) .
C212 H212 0.9500 .
C212 C213 1.397(15) .
C213 H213 0.9500 .
C213 C214 1.374(13) .
C214 H214 0.9500 .
C215 C216 1.367(11) .
C215 C220 1.417(10) .
C216 H216 0.9500 .
C216 C217 1.392(11) .
C217 H217 0.9500 .
C217 C218 1.377(12) .
C218 H218 0.9500 .
C218 C219 1.373(13) .
C219 H219 0.9500 .
C219 C220 1.395(11) .
C220 H220 0.9500 .
C221 C222 1.417(10) .
C221 C226 1.388(10) .
C222 H222 0.9500 .
C222 C223 1.376(12) .
C223 H223 0.9500 .
C223 C224 1.376(12) .
C224 H224 0.9500 .
C224 C225 1.400(11) .
C225 H225 0.9500 .
C225 C226 1.399(10) .
C226 H226 0.9500 .
C255 H25A 0.9800 .
C255 H25B 0.9800 .
C255 H25C 0.9800 .
C255 C256 1.60(2) .
C256 H25D 0.9900 .
C256 H25E 0.9900 .
C256 C257 1.458(18) .
C257 H25F 0.9900 .
C257 H25G 0.9900 .
C257 C258 1.493(18) .
C258 H25H 0.9900 .
C258 H25I 0.9900 .
C258 C259 1.552(18) .
C259 H25J 0.9900 .
C259 H25K 0.9900 .
C259 C260 1.450(19) .
C260 H26A 0.9900 .
C260 H26B 0.9900 .
C260 C261 1.539(18) .
C261 H26C 0.9800 .
C261 H26D 0.9800 .
C261 H26E 0.9800 .
C248 H24A 0.9800 .
C248 H24B 0.9800 .
C248 H24C 0.9800 .
C248 C249 1.485(19) .
C249 H24D 0.9900 .
C249 H24E 0.9900 .
C249 C250 1.507(19) .
C250 H25L 0.9900 .
C250 H25M 0.9900 .
C250 C251 1.587(19) .
C251 H25N 0.9900 .
C251 H25O 0.9900 .
C251 C252 1.52(2) .
C252 H25P 0.9900 .
C252 H25Q 0.9900 .
C252 C253 1.553(19) .
C253 H25R 0.9900 .
C253 H25S 0.9900 .
C253 C254 1.639(19) .
C254 H25T 0.9800 .
C254 H25U 0.9800 .
C254 H25V 0.9800 .
C262 H26F 0.9800 .
C262 H26G 0.9800 .
C262 H26H 0.9800 .
C262 C263 1.506(18) .
C263 H26I 0.9900 .
C263 H26J 0.9900 .
C263 C264 1.503(19) .
C264 H26K 0.9900 .
C264 H26L 0.9900 .
C264 C265 1.52(2) .
C265 H26M 0.9900 .
C265 H26N 0.9900 .
C265 C266 1.56(2) .
C266 H26O 0.9900 .
C266 H26P 0.9900 .
C266 C267 1.55(2) .
C267 H26Q 0.9900 .
C267 H26R 0.9900 .
C267 C268 1.54(2) .
C268 H26S 0.9800 .
C268 H26T 0.9800 .
C268 H26U 0.9800 .
C234 H23C 0.9800 .
C234 H23D 0.9800 .
C234 H23E 0.9800 .
C234 C235 1.541(17) .
C235 H23F 0.9900 .
C235 H23G 0.9900 .
C235 C236 1.533(17) .
C236 H23H 0.9900 .
C236 H23I 0.9900 .
C236 C237 1.567(18) .
C237 H23J 0.9900 .
C237 H23K 0.9900 .
C237 C238 1.595(18) .
C238 H23L 0.9900 .
C238 H23M 0.9900 .
C238 C239 1.544(18) .
C239 H23N 0.9900 .
C239 H23O 0.9900 .
C239 C240 1.514(18) .
C240 H24F 0.9800 .
C240 H24G 0.9800 .
C240 H24H 0.9800 .
C227 H22D 0.9800 .
C227 H22E 0.9800 .
C227 H22F 0.9800 .
C227 C228 1.502(19) .
C228 H22G 0.9900 .
C228 H22H 0.9900 .
C228 C229 1.536(17) .
C229 H22I 0.9900 .
C229 H22J 0.9900 .
C229 C230 1.435(17) .
C230 H23P 0.9900 .
C230 H23Q 0.9900 .
C230 C231 1.528(17) .
C231 H23R 0.9900 .
C231 H23S 0.9900 .
C231 C232 1.554(18) .
C232 H23T 0.9900 .
C232 H23U 0.9900 .
C232 C233 1.540(19) .
C233 H23V 0.9800 .
C233 H23W 0.9800 .
C233 H23X 0.9800 .
C32A H32D 0.9800 .
C32A H32E 0.9800 .
C32A H32F 0.9800 .
C33A H33D 0.9800 .
C33A H33E 0.9800 .
C33A H33F 0.9800 .
C31A H31D 0.9800 .
C31A H31E 0.9800 .
C31A H31F 0.9800 .
C68B H68A 0.9900 .
C68B H68B 0.9900 .
C68B C69B 1.554(19) .
C68B C66B 1.484(18) .
C65B H65G 0.9900 .
C65B H65H 0.9900 .
C65B C66B 1.482(19) .
C65B C64B 1.545(19) .
C63B H63A 0.9900 .
C63B H63B 0.9900 .
C63B C64B 1.56(2) .
C63B C62B 1.525(19) .
C69B H69A 0.9800 .
C69B H69B 0.9800 .
C69B H69C 0.9800 .
C66B H66G 0.9900 .
C66B H66H 0.9900 .
C64B H64G 0.9900 .
C64B H64H 0.9900 .
C64A H64D 0.9800 .
C64A H64E 0.9800 .
C64A H64F 0.9800 .
C66A H66D 0.9800 .
C66A H66E 0.9800 .
C66A H66F 0.9800 .
C65A H65D 0.9800 .
C65A H65E 0.9800 .
C65A H65F 0.9800 .
C62B H62A 0.9800 .
C62B H62B 0.9800 .
C62B H62C 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
Cu1 S12 C122 C123 -99.9(5) .
Cu1 S14 C144 C145 110.3(5) .
Cu2 S5 C45 C46 98.3(5) .
Cu2 S6 C56 C57 96.1(5) .
Cu2 S7 C67 C68 -81.1(5) .
Cu2 P2 C173 C174 -147.0(6) .
Cu2 P2 C173 C178 31.9(7) .
Cu2 P2 C179 C180 -134.8(6) .
Cu2 P2 C179 C184 44.3(6) .
Cu2 P2 C185 C186 -143.7(5) .
Cu2 P2 C185 C190 36.8(6) .
Cu3 S10 C100 C101 -75.8(5) .
Cu3 S11 C111 C112 92.4(5) .
Cu3 S12 C122 C123 89.9(5) .
Cu3 P3 C191 C192 51.1(6) .
Cu3 P3 C191 C196 -127.8(6) .
Cu3 P3 C197 C198 -143.8(5) .
Cu3 P3 C197 C202 37.1(7) .
Cu3 P3 C203 C204 -144.3(6) .
Cu3 P3 C203 C208 37.1(6) .
Cu4 S1 C1 C2 -82.4(6) 2_655
Cu4 P4 C209 C210 -60.3(7) .
Cu4 P4 C209 C214 118.0(6) .
Cu4 P4 C215 C216 -45.2(7) .
Cu4 P4 C215 C220 136.8(6) .
Cu4 P4 C221 C222 142.7(7) .
Cu4 P4 C221 C226 -38.1(7) .
Cu5 S1 C1 C2 162.0(5) .
Cu5 S2 C12 C13 79.1(6) .
Cu5 S11 C111 C112 -90.0(5) 2_655
Cu6 S2 C12 C13 -137.7(5) .
Cu6 S3 C23 C24 -96.2(5) .
Cu6 S9 C89 C90 -103.0(6) 2_655
Cu7 S2 C12 C13 150.5(5) .
Cu8 S3 C23 C24 -170.8(4) .
Cu9 S3 C23 C24 112.4(5) .
Cu9 S6 C56 C57 -93.4(5) .
Cu10 S4 C34 C35 161.8(5) .
Cu11 S5 C45 C46 -160.4(4) .
Cu12 S4 C34 C35 -97.0(6) .
Cu12 S5 C45 C46 -86.9(5) .
Cu12 S13 C133 C134 143.6(5) 2_655
Cu13 S6 C56 C57 -173.4(5) .
Cu14 S8 C78 C79 -94.0(5) 2_655
Cu14 S13 C133 C134 -78.5(5) .
Cu14 S14 C144 C145 -97.6(5) .
Cu15 S7 C67 C68 54.9(5) .
Cu15 S8 C78 C79 -178.7(4) .
Cu16 S7 C67 C68 150.2(4) .
Cu16 S9 C89 C90 97.6(6) .
Cu18 S8 C78 C79 97.8(5) .
Cu18 S10 C100 C101 155.1(4) .
Cu19 S9 C89 C90 177.5(5) .
Cu19 S10 C100 C101 58.3(5) .
Cu20 S4 C34 C35 70.5(6) .
Cu20 P1 C155 C156 -144.6(7) .
Cu20 P1 C155 C160 34.7(8) .
Cu20 P1 C161 C162 -143.0(6) .
Cu20 P1 C161 C166 39.2(6) .
Cu20 P1 C167 C168 72.5(7) .
Cu20 P1 C167 C172 -106.7(6) .
Cu22 S12 C122 C123 -179.4(5) .
Cu23 S11 C111 C112 -162.2(4) .
Cu24 S14 C144 C145 -172.6(5) .
Cu25 S13 C133 C134 -147.7(5) .
S1 C1 C2 C3 114.6(8) .
S1 C1 C2 C7 -68.6(10) .
S2 C12 C13 C14 95.3(10) .
S2 C12 C13 C18 -82.9(9) .
S3 C23 C24 C25 -128.9(7) .
S3 C23 C24 C29 53.0(8) .
S4 C34 C35 C36 -89.8(9) .
S4 C34 C35 C40 87.6(9) .
S5 C45 C46 C47 55.6(8) .
S5 C45 C46 C51 -125.0(6) .
S6 C56 C57 C58 58.2(8) .
S6 C56 C57 C62 -121.0(7) .
S7 C67 C68 C69 18.0(9) .
S7 C67 C68 C73 -162.7(5) .
S8 C78 C79 C80 -95.0(7) .
S8 C78 C79 C84 82.6(8) .
S9 C89 C90 C91 -100.4(8) .
S9 C89 C90 C95 80.6(8) .
S10 C100 C101 C102 -162.3(5) .
S10 C100 C101 C106 17.3(8) .
S11 C111 C112 C113 45.9(8) .
S11 C111 C112 C117 -134.1(6) .
S12 C122 C123 C124 -139.7(7) .
S12 C122 C123 C128 41.2(9) .
S13 C133 C134 C135 105.4(7) .
S13 C133 C134 C139 -74.8(8) .
S14 C144 C145 C146 -122.1(6) .
S14 C144 C145 C150 60.6(7) .
P1 C155 C156 C157 177.6(8) .
P1 C155 C160 C159 -178.5(9) .
P1 C161 C162 C163 -178.2(7) .
P1 C161 C166 C165 177.9(6) .
P1 C167 C168 C169 -178.2(7) .
P1 C167 C172 C171 177.9(6) .
P2 C173 C174 C175 179.9(7) .
P2 C173 C178 C177 179.8(6) .
P2 C179 C180 C181 -179.5(8) .
P2 C179 C184 C183 178.9(6) .
P2 C185 C186 C187 180.0(6) .
P2 C185 C190 C189 179.9(6) .
P3 C191 C192 C193 -178.9(5) .
P3 C191 C196 C195 177.8(6) .
P3 C197 C198 C199 -178.9(6) .
P3 C197 C202 C201 177.8(6) .
P3 C203 C204 C205 -178.4(7) .
P3 C203 C208 C207 178.6(6) .
P4 C209 C210 C211 177.5(7) .
P4 C209 C214 C213 -176.9(7) .
P4 C215 C216 C217 178.5(7) .
P4 C215 C220 C219 -178.3(7) .
P4 C221 C222 C223 178.6(8) .
P4 C221 C226 C225 -175.2(6) .
C1 C2 C3 C4 -179.9(9) .
C1 C2 C7 C6 -177.6(9) .
C2 C3 C4 C5 -3.2(16) .
C3 C2 C7 C6 -0.6(14) .
C3 C4 C5 C6 0.5(16) .
C3 C4 C5 C8 177.1(10) .
C4 C5 C6 C7 2.1(15) .
C4 C5 C8 C9 47.8(13) .
C4 C5 C8 C10 -68.9(12) .
C4 C5 C8 C11 167.4(10) .
C5 C6 C7 C2 -2.1(16) .
C6 C5 C8 C9 -135.9(10) .
C6 C5 C8 C10 107.4(11) .
C6 C5 C8 C11 -16.3(14) .
C7 C2 C3 C4 3.1(14) .
C8 C5 C6 C7 -174.5(10) .
C12 C13 C14 C15 -178.2(9) .
C12 C13 C18 C17 178.8(9) .
C13 C14 C15 C16 0.2(18) .
C14 C13 C18 C17 0.5(15) .
C14 C15 C16 C17 -0.7(16) .
C14 C15 C16 C19 -178.4(10) .
C15 C16 C17 C18 1.2(15) .
C15 C16 C19 C20 -128.2(11) .
C15 C16 C19 C21 114.0(12) .
C15 C16 C19 C22 -8.3(15) .
C16 C17 C18 C13 -1.1(16) .
C17 C16 C19 C20 54.1(13) .
C17 C16 C19 C21 -63.7(12) .
C17 C16 C19 C22 174.1(10) .
C18 C13 C14 C15 0.0(16) .
C19 C16 C17 C18 179.0(9) .
C23 C24 C25 C26 -176.9(8) .
C23 C24 C29 C28 177.8(7) .
C24 C25 C26 C27 -1.6(14) .
C25 C24 C29 C28 -0.3(11) .
C25 C26 C27 C28 1.1(15) .
C25 C26 C27 C30 -179.3(9) .
C26 C27 C28 C29 -0.2(14) .
C26 C27 C30 C31 -128.3(12) .
C26 C27 C30 C32 114.4(15) .
C26 C27 C30 C33 -11.6(15) .
C26 C27 C30 C32A 72.1(18) .
C26 C27 C30 C33A -64(3) .
C26 C27 C30 C31A 179(2) .
C27 C28 C29 C24 -0.2(12) .
C28 C27 C30 C31 51.4(15) .
C28 C27 C30 C32 -66.0(16) .
C28 C27 C30 C33 168.0(11) .
C28 C27 C30 C32A -108.3(17) .
C28 C27 C30 C33A 116(3) .
C28 C27 C30 C31A -1(3) .
C29 C24 C25 C26 1.2(12) .
C30 C27 C28 C29 -179.8(9) .
C34 C35 C36 C37 179.2(8) .
C34 C35 C40 C39 -178.7(9) .
C35 C36 C37 C38 -0.5(15) .
C36 C35 C40 C39 -1.1(14) .
C36 C37 C38 C39 -1.4(15) .
C36 C37 C38 C41 178.2(9) .
C37 C38 C39 C40 2.0(15) .
C37 C38 C41 C42 44(2) .
C37 C38 C41 C42A 116.9(15) .
C37 C38 C41 C43 173.1(18) .
C37 C38 C41 C43A -117.0(18) .
C37 C38 C41 C44A 1.1(18) .
C37 C38 C41 C44 -62.5(15) .
C38 C39 C40 C35 -0.8(16) .
C39 C38 C41 C42 -135.9(18) .
C39 C38 C41 C42A -63.5(16) .
C39 C38 C41 C43 -7(2) .
C39 C38 C41 C43A 63(2) .
C39 C38 C41 C44A -179.3(15) .
C39 C38 C41 C44 117.1(15) .
C40 C35 C36 C37 1.7(13) .
C41 C38 C39 C40 -177.6(10) .
C45 C46 C47 C48 -179.3(8) .
C45 C46 C51 C50 178.7(7) .
C46 C47 C48 C49 1.0(15) .
C47 C46 C51 C50 -1.8(11) .
C47 C48 C49 C50 -2.5(14) .
C47 C48 C49 C52 -179.4(10) .
C48 C49 C50 C51 1.9(14) .
C48 C49 C52 C53 -1.3(19) .
C48 C49 C52 C54 119.8(12) .
C48 C49 C52 C55 -127.1(12) .
C49 C50 C51 C46 0.2(13) .
C50 C49 C52 C53 -178.1(14) .
C50 C49 C52 C54 -57.0(14) .
C50 C49 C52 C55 56.2(15) .
C51 C46 C47 C48 1.2(12) .
C52 C49 C50 C51 178.9(9) .
C56 C57 C58 C59 179.3(7) .
C56 C57 C62 C61 -179.0(7) .
C57 C58 C59 C60 0.1(13) .
C58 C57 C62 C61 1.7(12) .
C58 C59 C60 C61 0.9(13) .
C58 C59 C60 C63 -176.9(8) .
C59 C60 C61 C62 -0.6(13) .
C59 C60 C63 C64 -64.7(14) .
C59 C60 C63 C65 172.8(9) .
C59 C60 C63 C66 59.0(12) .
C59 C60 C63 C64A -30.8(16) .
C59 C60 C63 C66A 88(2) .
C59 C60 C63 C65A -131.7(18) .
C60 C61 C62 C57 -0.7(13) .
C61 C60 C63 C64 117.6(12) .
C61 C60 C63 C65 -4.9(14) .
C61 C60 C63 C66 -118.7(11) .
C61 C60 C63 C64A 151.6(14) .
C61 C60 C63 C66A -89(2) .
C61 C60 C63 C65A 51(2) .
C62 C57 C58 C59 -1.4(11) .
C63 C60 C61 C62 177.1(9) .
C67 C68 C69 C70 177.9(7) .
C67 C68 C73 C72 -177.0(7) .
C68 C69 C70 C71 -0.4(11) .
C69 C68 C73 C72 2.4(11) .
C69 C70 C71 C72 1.3(12) .
C69 C70 C71 C74 -179.5(8) .
C70 C71 C72 C73 -0.3(12) .
C70 C71 C74 C75 -105.4(11) .
C70 C71 C74 C76 134.7(10) .
C70 C71 C74 C77 13.5(14) .
C71 C72 C73 C68 -1.6(12) .
C72 C71 C74 C75 73.8(11) .
C72 C71 C74 C76 -46.1(13) .
C72 C71 C74 C77 -167.3(10) .
C73 C68 C69 C70 -1.4(10) .
C74 C71 C72 C73 -179.5(8) .
C78 C79 C80 C81 -179.7(7) .
C78 C79 C84 C83 -179.8(8) .
C79 C80 C81 C82 -2.7(12) .
C80 C79 C84 C83 -2.1(12) .
C80 C81 C82 C83 2.2(13) .
C80 C81 C82 C85 177.8(8) .
C81 C82 C83 C84 -1.6(13) .
C81 C82 C85 C86 16.8(13) .
C81 C82 C85 C87 -104.2(10) .
C81 C82 C85 C88 138.3(9) .
C82 C83 C84 C79 1.7(14) .
C83 C82 C85 C86 -167.8(10) .
C83 C82 C85 C87 71.2(12) .
C83 C82 C85 C88 -46.3(12) .
C84 C79 C80 C81 2.6(11) .
C85 C82 C83 C84 -177.3(8) .
C89 C90 C91 C92 -178.2(8) .
C89 C90 C95 C94 176.4(9) .
C90 C91 C92 C93 1.6(16) .
C91 C90 C95 C94 -2.5(13) .
C91 C92 C93 C94 -2.2(17) .
C91 C92 C93 C96 178.6(10) .
C92 C93 C94 C95 0.4(18) .
C92 C93 C96 C97 -26.7(17) .
C92 C93 C96 C98 -136.9(16) .
C92 C93 C96 C99 100.4(19) .
C92 C93 C96 C99A 172.3(17) .
C92 C93 C96 C97A 66.4(18) .
C92 C93 C96 C98A -70(2) .
C93 C94 C95 C90 2.0(17) .
C94 C93 C96 C97 154.1(16) .
C94 C93 C96 C98 44(2) .
C94 C93 C96 C99 -78.8(19) .
C94 C93 C96 C99A -7(2) .
C94 C93 C96 C97A -112.7(17) .
C94 C93 C96 C98A 111(2) .
C95 C90 C91 C92 0.8(13) .
C96 C93 C94 C95 179.6(10) .
C100 C101 C102 C103 -178.7(6) .
C100 C101 C106 C105 177.7(6) .
C101 C102 C103 C104 0.8(11) .
C102 C101 C106 C105 -2.6(10) .
C102 C103 C104 C105 -2.3(11) .
C102 C103 C104 C107 178.5(7) .
C103 C104 C105 C106 1.2(11) .
C103 C104 C107 C108 77.1(11) .
C103 C104 C107 C109 -42.7(12) .
C103 C104 C107 C110 -160.8(9) .
C104 C105 C106 C101 1.2(11) .
C105 C104 C107 C108 -102.1(10) .
C105 C104 C107 C109 138.1(9) .
C105 C104 C107 C110 20.0(12) .
C106 C101 C102 C103 1.6(10) .
C107 C104 C105 C106 -179.5(7) .
C111 C112 C113 C114 178.8(8) .
C111 C112 C117 C116 -179.9(7) .
C112 C113 C114 C115 2.7(14) .
C113 C112 C117 C116 0.1(10) .
C113 C114 C115 C116 -2.8(14) .
C113 C114 C115 C118 175.9(10) .
C114 C115 C116 C117 1.7(13) .
C114 C115 C118 C119 -46.7(18) .
C114 C115 C118 C120 57.6(12) .
C114 C115 C118 C121 152.4(11) .
C115 C116 C117 C112 -0.4(12) .
C116 C115 C118 C119 132.0(13) .
C116 C115 C118 C120 -123.8(11) .
C116 C115 C118 C121 -28.9(16) .
C117 C112 C113 C114 -1.2(11) .
C118 C115 C116 C117 -177.1(9) .
C122 C123 C124 C125 -177.3(8) .
C122 C123 C128 C127 178.9(7) .
C123 C124 C125 C126 -1.5(15) .
C124 C123 C128 C127 -0.2(11) .
C124 C125 C126 C127 -0.6(14) .
C124 C125 C126 C129 -174.6(9) .
C125 C126 C127 C128 2.3(12) .
C125 C126 C129 C130 -19.2(13) .
C125 C126 C129 C131 -142.7(9) .
C125 C126 C129 C132 97.7(10) .
C126 C127 C128 C123 -1.9(12) .
C127 C126 C129 C130 167.0(9) .
C127 C126 C129 C131 43.5(11) .
C127 C126 C129 C132 -76.1(10) .
C128 C123 C124 C125 1.8(12) .
C129 C126 C127 C128 176.4(8) .
C133 C134 C135 C136 -179.8(7) .
C133 C134 C139 C138 179.4(7) .
C134 C135 C136 C137 -0.7(13) .
C135 C134 C139 C138 -0.7(12) .
C135 C136 C137 C138 1.3(13) .
C135 C136 C137 C140 179.0(8) .
C136 C137 C138 C139 -1.7(13) .
C136 C137 C140 C141 122.9(10) .
C136 C137 C140 C142 -117.6(10) .
C136 C137 C140 C143 2.9(13) .
C137 C138 C139 C134 1.4(14) .
C138 C137 C140 C141 -59.5(11) .
C138 C137 C140 C142 60.1(12) .
C138 C137 C140 C143 -179.5(9) .
C139 C134 C135 C136 0.3(11) .
C140 C137 C138 C139 -179.4(8) .
C144 C145 C146 C147 -177.2(6) .
C144 C145 C150 C149 176.5(6) .
C145 C146 C147 C148 0.9(12) .
C146 C145 C150 C149 -0.9(10) .
C146 C147 C148 C149 -1.2(12) .
C146 C147 C148 C151 175.4(7) .
C147 C148 C149 C150 0.5(11) .
C147 C148 C151 C152 -62.5(11) .
C147 C148 C151 C153 176.6(8) .
C147 C148 C151 C154 57.1(11) .
C148 C149 C150 C145 0.5(11) .
C149 C148 C151 C152 114.0(10) .
C149 C148 C151 C153 -6.9(12) .
C149 C148 C151 C154 -126.4(9) .
C150 C145 C146 C147 0.2(10) .
C151 C148 C149 C150 -175.9(7) .
C155 P1 C161 C162 -20.6(8) .
C155 P1 C161 C166 161.6(6) .
C155 P1 C167 C168 -55.8(7) .
C155 P1 C167 C172 125.0(7) .
C155 C156 C157 C158 0.2(18) .
C156 C155 C160 C159 0.9(15) .
C156 C157 C158 C159 2.1(19) .
C157 C158 C159 C160 -2.9(19) .
C158 C159 C160 C155 1.4(17) .
C160 C155 C156 C157 -1.7(15) .
C161 P1 C155 C156 94.7(8) .
C161 P1 C155 C160 -86.0(7) .
C161 P1 C167 C168 -163.1(7) .
C161 P1 C167 C172 17.8(7) .
C161 C162 C163 C164 0.5(14) .
C162 C161 C166 C165 -0.1(11) .
C162 C163 C164 C165 -0.1(14) .
C163 C164 C165 C166 -0.4(13) .
C164 C165 C166 C161 0.4(12) .
C166 C161 C162 C163 -0.4(12) .
C167 P1 C155 C156 -12.3(9) .
C167 P1 C155 C160 167.0(7) .
C167 P1 C161 C162 86.8(7) .
C167 P1 C161 C166 -91.0(6) .
C167 C168 C169 C170 -0.2(14) .
C168 C167 C172 C171 -1.3(11) .
C168 C169 C170 C171 -0.3(14) .
C169 C170 C171 C172 0.0(13) .
C170 C171 C172 C167 0.9(13) .
C172 C167 C168 C169 1.0(12) .
C173 P2 C179 C180 -8.7(7) .
C173 P2 C179 C184 170.4(5) .
C173 P2 C185 C186 87.4(6) .
C173 P2 C185 C190 -92.1(6) .
C173 C174 C175 C176 -1.1(14) .
C174 C173 C178 C177 -1.3(11) .
C174 C175 C176 C177 1.2(13) .
C175 C176 C177 C178 -1.5(12) .
C176 C177 C178 C173 1.5(11) .
C178 C173 C174 C175 1.0(12) .
C179 P2 C173 C174 89.6(7) .
C179 P2 C173 C178 -91.5(6) .
C179 P2 C185 C186 -19.9(7) .
C179 P2 C185 C190 160.6(6) .
C179 C180 C181 C182 0.1(16) .
C180 C179 C184 C183 -1.9(11) .
C180 C181 C182 C183 -1.2(16) .
C181 C182 C183 C184 0.7(13) .
C182 C183 C184 C179 0.9(12) .
C184 C179 C180 C181 1.4(12) .
C185 P2 C173 C174 -17.4(8) .
C185 P2 C173 C178 161.5(6) .
C185 P2 C179 C180 98.1(7) .
C185 P2 C179 C184 -82.7(6) .
C185 C186 C187 C188 0.8(12) .
C186 C185 C190 C189 0.4(11) .
C186 C187 C188 C189 -1.0(13) .
C187 C188 C189 C190 0.8(13) .
C188 C189 C190 C185 -0.5(12) .
C190 C185 C186 C187 -0.5(11) .
C191 P3 C197 C198 -15.7(7) .
C191 P3 C197 C202 165.2(6) .
C191 P3 C203 C204 90.8(7) .
C191 P3 C203 C208 -87.8(6) .
C191 C192 C193 C194 0.7(11) .
C192 C191 C196 C195 -1.1(11) .
C192 C193 C194 C195 -0.3(12) .
C193 C194 C195 C196 -0.8(14) .
C194 C195 C196 C191 1.5(14) .
C196 C191 C192 C193 0.0(10) .
C197 P3 C191 C192 -79.4(6) .
C197 P3 C191 C196 101.7(6) .
C197 P3 C203 C204 -16.3(8) .
C197 P3 C203 C208 165.2(6) .
C197 C198 C199 C200 -0.2(12) .
C198 C197 C202 C201 -1.3(11) .
C198 C199 C200 C201 1.4(13) .
C199 C200 C201 C202 -2.4(13) .
C200 C201 C202 C197 2.4(12) .
C202 C197 C198 C199 0.2(11) .
C203 P3 C191 C192 175.1(5) .
C203 P3 C191 C196 -3.8(7) .
C203 P3 C197 C198 91.5(6) .
C203 P3 C197 C202 -87.6(6) .
C203 C204 C205 C206 -1.7(15) .
C204 C203 C208 C207 0.0(11) .
C204 C205 C206 C207 3.1(14) .
C205 C206 C207 C208 -3.0(12) .
C206 C207 C208 C203 1.5(11) .
C208 C203 C204 C205 0.1(13) .
C209 P4 C215 C216 -168.7(6) .
C209 P4 C215 C220 13.3(8) .
C209 P4 C221 C222 -93.8(8) .
C209 P4 C221 C226 85.5(7) .
C209 C210 C211 C212 -0.8(14) .
C210 C209 C214 C213 1.4(12) .
C210 C211 C212 C213 1.9(14) .
C211 C212 C213 C214 -1.5(15) .
C212 C213 C214 C209 -0.2(14) .
C214 C209 C210 C211 -0.9(12) .
C215 P4 C209 C210 66.1(7) .
C215 P4 C209 C214 -115.6(7) .
C215 P4 C221 C222 14.4(8) .
C215 P4 C221 C226 -166.3(7) .
C215 C216 C217 C218 1.2(13) .
C216 C215 C220 C219 3.7(12) .
C216 C217 C218 C219 0.7(14) .
C217 C218 C219 C220 -0.3(14) .
C218 C219 C220 C215 -1.9(14) .
C220 C215 C216 C217 -3.3(12) .
C221 P4 C209 C210 173.5(6) .
C221 P4 C209 C214 -8.2(8) .
C221 P4 C215 C216 82.7(7) .
C221 P4 C215 C220 -95.3(7) .
C221 C222 C223 C224 -2.0(16) .
C222 C221 C226 C225 4.1(12) .
C222 C223 C224 C225 1.2(15) .
C223 C224 C225 C226 2.1(13) .
C224 C225 C226 C221 -4.9(13) .
C226 C221 C222 C223 -0.7(14) .
C255 C256 C257 C258 -123(5) .
C256 C257 C258 C259 158(4) .
C257 C258 C259 C260 166(4) .
C258 C259 C260 C261 174(4) .
C248 C249 C250 C251 159(5) .
C249 C250 C251 C252 168(5) .
C250 C251 C252 C253 -160(5) .
C251 C252 C253 C254 148(4) .
C262 C263 C264 C265 166(5) .
C263 C264 C265 C266 -155(6) .
C234 C235 C236 C237 159(3) .
C235 C236 C237 C238 176(3) .
C236 C237 C238 C239 -154(3) .
C237 C238 C239 C240 -175(3) .
C227 C228 C229 C230 164(3) .
C228 C229 C230 C231 -176(3) .
C229 C230 C231 C232 173(3) .
C230 C231 C232 C233 130(4) .
C69B C68B C66B C65B 110(5) .
C66B C65B C64B C63B -175(4) .
C64B C65B C66B C68B -150(4) .
C62B C63B C64B C65B 142(4) .
