#------------------------------------------------------------------------------
#$Date: 2020-12-04 08:04:18 +0200 (Fri, 04 Dec 2020) $
#$Revision: 259535 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/02/18/4021897.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_4021897
loop_
_publ_author_name
'Manabu Hatano'
'Takashi Miyamoto'
'Kazuaki Ishihara'
_publ_section_title
;
 3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate
 Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6474
_journal_page_last               6484
_journal_paper_doi               10.1021/jo060908t
_journal_volume                  71
_journal_year                    2006
_chemical_formula_sum            'C44 H32 O4 P2'
_chemical_formula_weight         686.64
_chemical_name_common            (R)-3,3'-bis(diphenylphosphinoyl)-BINOL
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.282(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            12
_cell_length_a                   10.709(5)
_cell_length_b                   18.515(5)
_cell_length_c                   53.426(5)
_cell_measurement_temperature    173(2)
_cell_volume                     10593(6)
_computing_cell_refinement       'Bruker SMART APEX'
_computing_data_collection       'Bruker SMART APEX'
_computing_data_reduction        'Bruker SMART APEX'
_computing_molecular_graphics    'ORTEP 3'
_computing_publication_material  'ORTEP 3'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       'omega mode '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       73
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            40115
_diffrn_reflns_theta_full        29.31
_diffrn_reflns_theta_max         29.31
_diffrn_reflns_theta_min         0.76
_exptl_absorpt_coefficient_mu    0.167
_exptl_absorpt_correction_T_max  0.9835
_exptl_absorpt_correction_T_min  0.9673
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker SMART APEX'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4296
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.059
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1375
_refine_ls_number_reflns         25528
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.061
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0704P)²+6.5856P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1320
_refine_ls_wR_factor_ref         0.1391
_reflns_number_gt                21519
_reflns_number_total             25528
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo060908tsi20060503_011655.cif
_cod_depositor_comments
;

2020-12-03
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C264 H192 O24 P12'
_cod_original_formula_weight         4119.82
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4021897
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.2143(2) 0.29671(14) 0.34702(5) 0.0204(5) Uani 1 1 d .
C2 C 0.1764(2) 0.36218(14) 0.35648(5) 0.0208(5) Uani 1 1 d .
C3 C 0.1987(2) 0.38046(14) 0.38201(5) 0.0218(5) Uani 1 1 d .
C4 C 0.2497(3) 0.33016(15) 0.39779(5) 0.0239(5) Uani 1 1 d .
H51 H 0.2618 0.3420 0.4149 0.029 Uiso 1 1 calc R
C5 C 0.3372(3) 0.20849(16) 0.40539(5) 0.0297(6) Uani 1 1 d .
H52 H 0.3460 0.2191 0.4227 0.036 Uiso 1 1 calc R
C6 C 0.3751(3) 0.14316(17) 0.39651(6) 0.0360(7) Uani 1 1 d .
H53 H 0.4117 0.1089 0.4075 0.043 Uiso 1 1 calc R
C7 C 0.3603(3) 0.12658(17) 0.37121(6) 0.0333(7) Uani 1 1 d .
H54 H 0.3865 0.0808 0.3652 0.040 Uiso 1 1 calc R
C8 C 0.3085(3) 0.17515(16) 0.35495(5) 0.0285(6) Uani 1 1 d .
H55 H 0.2986 0.1624 0.3378 0.034 Uiso 1 1 calc R
C9 C 0.2693(2) 0.24450(14) 0.36326(5) 0.0203(5) Uani 1 1 d .
C10 C 0.2849(3) 0.26076(14) 0.38909(5) 0.0228(5) Uani 1 1 d .
C11 C 0.1981(2) 0.28064(14) 0.31966(5) 0.0202(5) Uani 1 1 d .
C12 C 0.0807(2) 0.26648(14) 0.31021(5) 0.0210(5) Uani 1 1 d .
C13 C 0.0645(2) 0.24651(15) 0.28463(5) 0.0219(5) Uani 1 1 d .
C14 C 0.1657(3) 0.24593(16) 0.26883(5) 0.0246(5) Uani 1 1 d .
H56 H 0.1540 0.2335 0.2517 0.030 Uiso 1 1 calc R
C15 C 0.3920(3) 0.26313(17) 0.26129(5) 0.0307(6) Uani 1 1 d .
H57 H 0.3800 0.2530 0.2440 0.037 Uiso 1 1 calc R
C16 C 0.5089(3) 0.27712(19) 0.26999(6) 0.0362(7) Uani 1 1 d .
H58 H 0.5781 0.2765 0.2589 0.043 Uiso 1 1 calc R
C17 C 0.5265(3) 0.29253(19) 0.29559(6) 0.0341(7) Uani 1 1 d .
H59 H 0.6082 0.3020 0.3018 0.041 Uiso 1 1 calc R
C18 C 0.4273(3) 0.29398(17) 0.31165(5) 0.0285(6) Uani 1 1 d .
H60 H 0.4416 0.3051 0.3288 0.034 Uiso 1 1 calc R
C19 C 0.3035(2) 0.27923(14) 0.30339(5) 0.0206(5) Uani 1 1 d .
C20 C 0.2870(2) 0.26344(15) 0.27760(5) 0.0230(5) Uani 1 1 d .
O1 O 0.1214(2) 0.41080(11) 0.34080(4) 0.0289(4) Uani 1 1 d .
P1 P 0.16725(7) 0.47233(4) 0.391002(13) 0.02403(14) Uani 1 1 d .
O2 O 0.0445(2) 0.49578(12) 0.38039(4) 0.0350(5) Uani 1 1 d .
C21 C 0.1750(3) 0.47963(15) 0.42443(5) 0.0262(6) Uani 1 1 d .
C22 C 0.2830(3) 0.5003(2) 0.43656(6) 0.0441(8) Uani 1 1 d .
H61 H 0.3557 0.5107 0.4271 0.053 Uiso 1 1 calc R
C23 C 0.2866(4) 0.5062(3) 0.46238(7) 0.0544(10) Uani 1 1 d .
H62 H 0.3616 0.5202 0.4706 0.065 Uiso 1 1 calc R
C24 C 0.1802(4) 0.4914(2) 0.47609(7) 0.0571(11) Uani 1 1 d .
H63 H 0.1809 0.4973 0.4938 0.069 Uiso 1 1 calc R
C25 C 0.0753(4) 0.4687(3) 0.46427(8) 0.0762(17) Uani 1 1 d .
H64 H 0.0040 0.4561 0.4738 0.091 Uiso 1 1 calc R
C26 C 0.0705(4) 0.4637(3) 0.43865(7) 0.0646(14) Uani 1 1 d .
H65 H -0.0048 0.4492 0.4306 0.078 Uiso 1 1 calc R
C27 C 0.2963(3) 0.52405(16) 0.37875(5) 0.0305(6) Uani 1 1 d .
C28 C 0.2738(4) 0.59592(19) 0.37235(7) 0.0436(8) Uani 1 1 d .
H66 H 0.1932 0.6161 0.3747 0.052 Uiso 1 1 calc R
C29 C 0.3688(4) 0.6382(2) 0.36250(7) 0.0518(10) Uani 1 1 d .
H67 H 0.3528 0.6871 0.3581 0.062 Uiso 1 1 calc R
C30 C 0.4853(4) 0.6097(2) 0.35907(6) 0.0500(10) Uani 1 1 d .
H68 H 0.5495 0.6388 0.3521 0.060 Uiso 1 1 calc R
C31 C 0.5104(4) 0.5386(2) 0.36565(7) 0.0477(9) Uani 1 1 d .
H69 H 0.5918 0.5193 0.3635 0.057 Uiso 1 1 calc R
C32 C 0.4152(3) 0.4957(2) 0.37541(6) 0.0375(7) Uani 1 1 d .
H70 H 0.4318 0.4469 0.3798 0.045 Uiso 1 1 calc R
O3 O -0.01949(18) 0.26987(12) 0.32583(4) 0.0275(4) Uani 1 1 d .
P2 P -0.08885(7) 0.21622(4) 0.275656(13) 0.02419(14) Uani 1 1 d .
O4 O -0.18564(19) 0.26574(12) 0.28645(4) 0.0349(5) Uani 1 1 d .
C33 C -0.0957(3) 0.20878(16) 0.24234(5) 0.0264(6) Uani 1 1 d .
C34 C -0.1243(5) 0.2692(2) 0.22811(7) 0.0627(13) Uani 1 1 d .
H1 H -0.1408 0.3140 0.2361 0.075 Uiso 1 1 calc R
C35 C -0.1288(6) 0.2642(2) 0.20230(8) 0.0752(16) Uani 1 1 d .
H2 H -0.1450 0.3063 0.1926 0.090 Uiso 1 1 calc R
C36 C -0.1105(4) 0.2003(2) 0.19064(7) 0.0552(11) Uani 1 1 d .
H3 H -0.1183 0.1972 0.1729 0.066 Uiso 1 1 calc R
C37 C -0.0806(4) 0.1397(2) 0.20423(7) 0.0539(10) Uani 1 1 d .
H4 H -0.0650 0.0952 0.1960 0.065 Uiso 1 1 calc R
C38 C -0.0735(4) 0.14437(19) 0.23019(7) 0.0460(9) Uani 1 1 d .
H5 H -0.0532 0.1026 0.2397 0.055 Uiso 1 1 calc R
C39 C -0.1016(3) 0.12582(17) 0.28788(5) 0.0300(6) Uani 1 1 d .
C40 C 0.0006(3) 0.08044(18) 0.29126(6) 0.0367(7) Uani 1 1 d .
H6 H 0.0820 0.0965 0.2870 0.044 Uiso 1 1 calc R
C41 C -0.0169(4) 0.0111(2) 0.30094(7) 0.0501(10) Uani 1 1 d .
H7 H 0.0522 -0.0205 0.3029 0.060 Uiso 1 1 calc R
C42 C -0.1365(4) -0.0112(2) 0.30767(6) 0.0502(10) Uani 1 1 d .
H8 H -0.1479 -0.0578 0.3148 0.060 Uiso 1 1 calc R
C43 C -0.2368(4) 0.0325(2) 0.30422(7) 0.0511(10) Uani 1 1 d .
H9 H -0.3179 0.0162 0.3086 0.061 Uiso 1 1 calc R
C44 C -0.2207(4) 0.1015(2) 0.29427(7) 0.0425(8) Uani 1 1 d .
H10 H -0.2910 0.1321 0.2918 0.051 Uiso 1 1 calc R
C45 C 0.2140(2) 0.41792(14) 0.15302(5) 0.0203(5) Uani 1 1 d .
C46 C 0.1767(2) 0.35237(14) 0.14343(5) 0.0205(5) Uani 1 1 d .
C47 C 0.1988(2) 0.33412(14) 0.11797(5) 0.0219(5) Uani 1 1 d .
C48 C 0.2496(3) 0.38424(15) 0.10214(5) 0.0246(5) Uani 1 1 d .
H71 H 0.2618 0.3722 0.0850 0.030 Uiso 1 1 calc R
C49 C 0.3372(3) 0.50613(17) 0.09462(5) 0.0307(6) Uani 1 1 d .
H72 H 0.3461 0.4952 0.0773 0.037 Uiso 1 1 calc R
C50 C 0.3752(3) 0.57175(17) 0.10342(6) 0.0350(7) Uani 1 1 d .
H73 H 0.4114 0.6060 0.0924 0.042 Uiso 1 1 calc R
C51 C 0.3606(3) 0.58834(17) 0.12895(6) 0.0337(7) Uani 1 1 d .
H74 H 0.3869 0.6341 0.1351 0.040 Uiso 1 1 calc R
C52 C 0.3090(3) 0.53942(16) 0.14497(5) 0.0278(6) Uani 1 1 d .
H75 H 0.2995 0.5520 0.1621 0.033 Uiso 1 1 calc R
C53 C 0.2693(2) 0.47041(14) 0.13676(5) 0.0205(5) Uani 1 1 d .
C54 C 0.2844(3) 0.45398(15) 0.11092(5) 0.0233(5) Uani 1 1 d .
C55 C 0.1982(2) 0.43414(14) 0.18034(5) 0.0199(5) Uani 1 1 d .
C56 C 0.0805(2) 0.44810(14) 0.18989(5) 0.0205(5) Uani 1 1 d .
C57 C 0.0646(2) 0.46838(14) 0.21535(5) 0.0212(5) Uani 1 1 d .
C58 C 0.1653(3) 0.46884(16) 0.23121(5) 0.0249(5) Uani 1 1 d .
H76 H 0.1540 0.4810 0.2483 0.030 Uiso 1 1 calc R
C59 C 0.3920(3) 0.45158(17) 0.23868(6) 0.0312(6) Uani 1 1 d .
H77 H 0.3808 0.4616 0.2560 0.037 Uiso 1 1 calc R
C60 C 0.5093(3) 0.43760(19) 0.22986(6) 0.0359(7) Uani 1 1 d .
H78 H 0.5788 0.4385 0.2410 0.043 Uiso 1 1 calc R
C61 C 0.5266(3) 0.42200(19) 0.20450(6) 0.0341(7) Uani 1 1 d .
H79 H 0.6082 0.4123 0.1984 0.041 Uiso 1 1 calc R
C62 C 0.4272(3) 0.42053(16) 0.18837(5) 0.0277(6) Uani 1 1 d .
H80 H 0.4408 0.4093 0.1712 0.033 Uiso 1 1 calc R
C63 C 0.3039(2) 0.43542(14) 0.19667(5) 0.0198(5) Uani 1 1 d .
C64 C 0.2869(2) 0.45141(15) 0.22240(5) 0.0222(5) Uani 1 1 d .
O5 O 0.1214(2) 0.30411(11) 0.15922(4) 0.0275(4) Uani 1 1 d .
P3 P 0.16728(7) 0.24236(4) 0.108985(13) 0.02397(14) Uani 1 1 d .
O6 O 0.0445(2) 0.21893(12) 0.11979(4) 0.0338(5) Uani 1 1 d .
C65 C 0.1748(3) 0.23516(15) 0.07565(5) 0.0260(6) Uani 1 1 d .
C66 C 0.2829(3) 0.2140(2) 0.06348(6) 0.0451(8) Uani 1 1 d .
H11 H 0.3557 0.2031 0.0730 0.054 Uiso 1 1 calc R
C67 C 0.2860(4) 0.2085(3) 0.03757(7) 0.0539(10) Uani 1 1 d .
H12 H 0.3606 0.1943 0.0294 0.065 Uiso 1 1 calc R
C68 C 0.1801(4) 0.2238(2) 0.02396(7) 0.0552(11) Uani 1 1 d .
H13 H 0.1807 0.2186 0.0063 0.066 Uiso 1 1 calc R
C69 C 0.0749(5) 0.2464(3) 0.03552(8) 0.0766(17) Uani 1 1 d .
H14 H 0.0036 0.2589 0.0258 0.092 Uiso 1 1 calc R
C70 C 0.0702(4) 0.2513(3) 0.06130(7) 0.0651(14) Uani 1 1 d .
H15 H -0.0049 0.2658 0.0692 0.078 Uiso 1 1 calc R
C71 C 0.2961(3) 0.19088(16) 0.12126(5) 0.0309(6) Uani 1 1 d .
C72 C 0.2744(4) 0.11884(19) 0.12760(7) 0.0419(8) Uani 1 1 d .
H16 H 0.1938 0.0986 0.1250 0.050 Uiso 1 1 calc R
C73 C 0.3689(4) 0.0766(2) 0.13761(7) 0.0515(10) Uani 1 1 d .
H17 H 0.3525 0.0280 0.1422 0.062 Uiso 1 1 calc R
C74 C 0.4856(4) 0.1048(2) 0.14088(7) 0.0499(10) Uani 1 1 d .
H18 H 0.5501 0.0755 0.1477 0.060 Uiso 1 1 calc R
C75 C 0.5113(4) 0.1760(2) 0.13431(7) 0.0495(10) Uani 1 1 d .
H19 H 0.5929 0.1951 0.1365 0.059 Uiso 1 1 calc R
C76 C 0.4154(3) 0.2192(2) 0.12441(6) 0.0365(7) Uani 1 1 d .
H20 H 0.4320 0.2679 0.1199 0.044 Uiso 1 1 calc R
O7 O -0.01950(19) 0.44455(12) 0.17418(4) 0.0282(4) Uani 1 1 d .
P4 P -0.08887(7) 0.49847(4) 0.224336(13) 0.02384(14) Uani 1 1 d .
O8 O -0.18531(19) 0.44904(12) 0.21363(4) 0.0337(5) Uani 1 1 d .
C77 C -0.0954(3) 0.50584(16) 0.25777(5) 0.0269(6) Uani 1 1 d .
C78 C -0.1237(5) 0.4456(2) 0.27202(7) 0.0637(14) Uani 1 1 d .
H21 H -0.1398 0.4008 0.2640 0.076 Uiso 1 1 calc R
C79 C -0.1289(6) 0.4501(2) 0.29780(8) 0.0753(16) Uani 1 1 d .
H22 H -0.1456 0.4081 0.3074 0.090 Uiso 1 1 calc R
C80 C -0.1103(5) 0.5142(2) 0.30941(7) 0.0556(11) Uani 1 1 d .
H23 H -0.1176 0.5174 0.3271 0.067 Uiso 1 1 calc R
C81 C -0.0807(4) 0.5749(2) 0.29572(7) 0.0538(10) Uani 1 1 d .
H24 H -0.0654 0.6195 0.3040 0.065 Uiso 1 1 calc R
C82 C -0.0734(4) 0.57039(19) 0.26980(6) 0.0458(9) Uani 1 1 d .
H25 H -0.0532 0.6122 0.2603 0.055 Uiso 1 1 calc R
C83 C -0.1017(3) 0.58912(17) 0.21219(5) 0.0306(6) Uani 1 1 d .
C84 C 0.0005(3) 0.63434(18) 0.20886(6) 0.0367(7) Uani 1 1 d .
H26 H 0.0818 0.6181 0.2133 0.044 Uiso 1 1 calc R
C85 C -0.0160(4) 0.7036(2) 0.19905(6) 0.0479(9) Uani 1 1 d .
H27 H 0.0534 0.7348 0.1969 0.058 Uiso 1 1 calc R
C86 C -0.1354(4) 0.7262(2) 0.19244(6) 0.0493(10) Uani 1 1 d .
H28 H -0.1468 0.7728 0.1854 0.059 Uiso 1 1 calc R
C87 C -0.2369(4) 0.6824(2) 0.19587(7) 0.0528(10) Uani 1 1 d .
H29 H -0.3181 0.6992 0.1916 0.063 Uiso 1 1 calc R
C88 C -0.2211(4) 0.6131(2) 0.20566(7) 0.0426(8) Uani 1 1 d .
H30 H -0.2913 0.5824 0.2079 0.051 Uiso 1 1 calc R
C89 C -0.0162(2) 0.49489(14) 0.01369(4) 0.0196(5) Uani 1 1 d .
C90 C -0.0956(2) 0.44297(14) 0.02308(5) 0.0206(5) Uani 1 1 d .
C91 C -0.1340(2) 0.44544(14) 0.04871(5) 0.0212(5) Uani 1 1 d .
C92 C -0.0840(3) 0.49559(15) 0.06454(5) 0.0243(5) Uani 1 1 d .
H81 H -0.1071 0.4955 0.0817 0.029 Uiso 1 1 calc R
C93 C 0.0549(3) 0.60068(16) 0.07211(5) 0.0306(6) Uani 1 1 d .
H82 H 0.0344 0.6000 0.0894 0.037 Uiso 1 1 calc R
C94 C 0.1339(3) 0.65197(17) 0.06328(6) 0.0361(7) Uani 1 1 d .
H83 H 0.1675 0.6872 0.0743 0.043 Uiso 1 1 calc R
C95 C 0.1662(3) 0.65298(16) 0.03782(6) 0.0338(7) Uani 1 1 d .
H84 H 0.2216 0.6890 0.0318 0.041 Uiso 1 1 calc R
C96 C 0.1189(3) 0.60278(15) 0.02164(5) 0.0274(6) Uani 1 1 d .
H85 H 0.1426 0.6041 0.0045 0.033 Uiso 1 1 calc R
C97 C 0.0345(3) 0.54849(14) 0.02998(5) 0.0211(5) Uani 1 1 d .
C98 C 0.0023(3) 0.54788(14) 0.05574(5) 0.0220(5) Uani 1 1 d .
C99 C -0.0159(2) 0.22004(14) 0.48629(4) 0.0200(5) Uani 1 1 d .
C100 C -0.0958(2) 0.27164(14) 0.47682(5) 0.0209(5) Uani 1 1 d .
C101 C -0.1346(2) 0.26949(14) 0.45132(5) 0.0216(5) Uani 1 1 d .
C102 C -0.0844(3) 0.21891(16) 0.43555(5) 0.0244(5) Uani 1 1 d .
H86 H -0.1085 0.2187 0.4184 0.029 Uiso 1 1 calc R
C103 C 0.0544(3) 0.11414(16) 0.42792(6) 0.0308(6) Uani 1 1 d .
H87 H 0.0331 0.1148 0.4106 0.037 Uiso 1 1 calc R
C104 C 0.1340(3) 0.06274(17) 0.43673(6) 0.0355(7) Uani 1 1 d .
H88 H 0.1676 0.0276 0.4257 0.043 Uiso 1 1 calc R
C105 C 0.1664(3) 0.06186(17) 0.46220(6) 0.0348(7) Uani 1 1 d .
H89 H 0.2219 0.0259 0.4683 0.042 Uiso 1 1 calc R
C106 C 0.1191(3) 0.11210(15) 0.47840(5) 0.0281(6) Uani 1 1 d .
H90 H 0.1432 0.1107 0.4955 0.034 Uiso 1 1 calc R
C107 C 0.0346(3) 0.16628(14) 0.47006(5) 0.0214(5) Uani 1 1 d .
C108 C 0.0025(3) 0.16701(14) 0.44425(5) 0.0226(5) Uani 1 1 d .
O9 O -0.14058(19) 0.39126(11) 0.00751(4) 0.0274(4) Uani 1 1 d .
P5 P -0.25606(7) 0.38355(4) 0.057662(13) 0.02360(14) Uani 1 1 d .
O10 O -0.2300(2) 0.31040(11) 0.04692(4) 0.0336(5) Uani 1 1 d .
C109 C -0.2702(3) 0.38388(16) 0.09110(5) 0.0262(6) Uani 1 1 d .
C110 C -0.1946(4) 0.3398(3) 0.10534(7) 0.0635(13) Uani 1 1 d .
H31 H -0.1356 0.3092 0.0974 0.076 Uiso 1 1 calc R
C111 C -0.2037(5) 0.3396(3) 0.13121(8) 0.0736(16) Uani 1 1 d .
H32 H -0.1488 0.3104 0.1409 0.088 Uiso 1 1 calc R
C112 C -0.2906(4) 0.3808(3) 0.14277(7) 0.0580(12) Uani 1 1 d .
H33 H -0.2995 0.3783 0.1604 0.070 Uiso 1 1 calc R
C113 C -0.3659(4) 0.4261(2) 0.12907(7) 0.0525(10) Uani 1 1 d .
H34 H -0.4242 0.4566 0.1372 0.063 Uiso 1 1 calc R
C114 C -0.3560(3) 0.4270(2) 0.10316(7) 0.0452(9) Uani 1 1 d .
H35 H -0.4090 0.4578 0.0936 0.054 Uiso 1 1 calc R
C115 C -0.3982(3) 0.42233(17) 0.04549(5) 0.0292(6) Uani 1 1 d .
C116 C -0.4152(3) 0.4958(2) 0.04219(6) 0.0369(7) Uani 1 1 d .
H36 H -0.3503 0.5285 0.0466 0.044 Uiso 1 1 calc R
C117 C -0.5282(4) 0.5223(2) 0.03239(7) 0.0484(10) Uani 1 1 d .
H37 H -0.5407 0.5728 0.0304 0.058 Uiso 1 1 calc R
C118 C -0.6213(3) 0.4739(3) 0.02565(6) 0.0477(10) Uani 1 1 d .
H38 H -0.6969 0.4914 0.0185 0.057 Uiso 1 1 calc R
C119 C -0.6055(4) 0.4017(3) 0.02914(7) 0.0515(10) Uani 1 1 d .
H39 H -0.6710 0.3693 0.0249 0.062 Uiso 1 1 calc R
C120 C -0.4936(3) 0.3749(2) 0.03897(7) 0.0426(8) Uani 1 1 d .
H40 H -0.4828 0.3244 0.0412 0.051 Uiso 1 1 calc R
O11 O -0.1406(2) 0.32325(11) 0.49255(4) 0.0281(4) Uani 1 1 d .
P6 P -0.25606(7) 0.33120(4) 0.442331(13) 0.02399(14) Uani 1 1 d .
O12 O -0.2301(2) 0.40440(11) 0.45307(4) 0.0341(5) Uani 1 1 d .
C121 C -0.2708(3) 0.33093(16) 0.40895(5) 0.0267(6) Uani 1 1 d .
C122 C -0.1939(4) 0.3753(3) 0.39472(7) 0.0626(13) Uani 1 1 d .
H41 H -0.1342 0.4055 0.4027 0.075 Uiso 1 1 calc R
C123 C -0.2045(5) 0.3755(3) 0.36878(8) 0.0754(16) Uani 1 1 d .
H42 H -0.1506 0.4052 0.3591 0.090 Uiso 1 1 calc R
C124 C -0.2906(4) 0.3339(3) 0.35712(7) 0.0571(11) Uani 1 1 d .
H43 H -0.2989 0.3358 0.3394 0.069 Uiso 1 1 calc R
C125 C -0.3668(4) 0.2886(3) 0.37090(7) 0.0540(10) Uani 1 1 d .
H44 H -0.4260 0.2585 0.3627 0.065 Uiso 1 1 calc R
C126 C -0.3561(3) 0.2877(2) 0.39674(7) 0.0449(9) Uani 1 1 d .
H45 H -0.4085 0.2567 0.4062 0.054 Uiso 1 1 calc R
C127 C -0.3981(3) 0.29234(18) 0.45454(5) 0.0298(6) Uani 1 1 d .
C128 C -0.4944(3) 0.3399(2) 0.46098(7) 0.0433(8) Uani 1 1 d .
H46 H -0.4839 0.3904 0.4586 0.052 Uiso 1 1 calc R
C129 C -0.6054(4) 0.3135(3) 0.47086(7) 0.0529(10) Uani 1 1 d .
H47 H -0.6704 0.3460 0.4753 0.063 Uiso 1 1 calc R
C130 C -0.6208(3) 0.2411(3) 0.47422(6) 0.0489(10) Uani 1 1 d .
H48 H -0.6963 0.2235 0.4812 0.059 Uiso 1 1 calc R
C131 C -0.5274(4) 0.1924(2) 0.46755(7) 0.0482(9) Uani 1 1 d .
H49 H -0.5397 0.1419 0.4696 0.058 Uiso 1 1 calc R
C132 C -0.4152(3) 0.2189(2) 0.45784(6) 0.0369(7) Uani 1 1 d .
H50 H -0.3504 0.1862 0.4535 0.044 Uiso 1 1 calc R
H91 H -0.178(3) 0.3552(19) 0.0174(7) 0.032(9) Uiso 1 1 d .
H93 H -0.090(4) 0.446(2) 0.1839(8) 0.051(11) Uiso 1 1 d .
H95 H 0.087(3) 0.4438(19) 0.3502(6) 0.027(9) Uiso 1 1 d .
H96 H -0.176(4) 0.358(2) 0.4840(7) 0.040(10) Uiso 1 1 d .
H94 H -0.096(4) 0.269(2) 0.3164(7) 0.047(11) Uiso 1 1 d .
H92 H 0.088(4) 0.271(2) 0.1503(8) 0.053(12) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
C2 C1 C9 119.7(2) .
C2 C1 C11 120.0(2) .
C9 C1 C11 120.3(2) .
O1 C2 C1 119.0(2) .
O1 C2 C3 120.1(2) .
C1 C2 C3 120.8(2) .
C4 C3 C2 119.5(2) .
C4 C3 P1 123.6(2) .
C2 C3 P1 116.7(2) .
C3 C4 C10 121.4(2) .
C3 C4 H51 119.3 .
C10 C4 H51 119.3 .
C6 C5 C10 120.7(3) .
C6 C5 H52 119.7 .
C10 C5 H52 119.7 .
C5 C6 C7 120.0(3) .
C5 C6 H53 120.0 .
C7 C6 H53 120.0 .
C8 C7 C6 121.0(3) .
C8 C7 H54 119.5 .
C6 C7 H54 119.5 .
C7 C8 C9 121.0(3) .
C7 C8 H55 119.5 .
C9 C8 H55 119.5 .
C8 C9 C10 117.4(2) .
C8 C9 C1 123.0(2) .
C10 C9 C1 119.6(2) .
C5 C10 C4 121.5(2) .
C5 C10 C9 119.8(2) .
C4 C10 C9 118.7(2) .
C12 C11 C19 119.8(2) .
C12 C11 C1 119.7(2) .
C19 C11 C1 120.6(2) .
O3 C12 C11 119.1(2) .
O3 C12 C13 120.4(2) .
C11 C12 C13 120.4(2) .
C14 C13 C12 119.8(2) .
C14 C13 P2 123.7(2) .
C12 C13 P2 116.28(19) .
C13 C14 C20 121.2(2) .
C13 C14 H56 119.4 .
C20 C14 H56 119.4 .
C16 C15 C20 121.2(3) .
C16 C15 H57 119.4 .
C20 C15 H57 119.4 .
C15 C16 C17 119.3(3) .
C15 C16 H58 120.3 .
C17 C16 H58 120.3 .
C18 C17 C16 120.8(3) .
C18 C17 H59 119.6 .
C16 C17 H59 119.6 .
C17 C18 C19 121.8(3) .
C17 C18 H60 119.1 .
C19 C18 H60 119.1 .
C20 C19 C18 116.9(2) .
C20 C19 C11 120.0(2) .
C18 C19 C11 123.1(2) .
C14 C20 C19 118.6(2) .
C14 C20 C15 121.5(3) .
C19 C20 C15 120.0(2) .
C2 O1 H95 107(2) .
O2 P1 C21 113.10(13) .
O2 P1 C3 109.81(13) .
C21 P1 C3 109.23(13) .
O2 P1 C27 112.44(15) .
C21 P1 C27 106.82(14) .
C3 P1 C27 105.07(14) .
C22 C21 C26 118.6(3) .
C22 C21 P1 121.6(2) .
C26 C21 P1 119.8(2) .
C21 C22 C23 120.7(3) .
C21 C22 H61 119.7 .
C23 C22 H61 119.7 .
C24 C23 C22 119.5(4) .
C24 C23 H62 120.2 .
C22 C23 H62 120.2 .
C25 C24 C23 119.9(4) .
C25 C24 H63 120.1 .
C23 C24 H63 120.1 .
C24 C25 C26 120.9(4) .
C24 C25 H64 119.6 .
C26 C25 H64 119.6 .
C25 C26 C21 120.4(3) .
C25 C26 H65 119.8 .
C21 C26 H65 119.8 .
C28 C27 C32 119.1(3) .
C28 C27 P1 117.6(3) .
C32 C27 P1 123.3(3) .
C27 C28 C29 120.4(4) .
C27 C28 H66 119.8 .
C29 C28 H66 119.8 .
C30 C29 C28 120.2(4) .
C30 C29 H67 119.9 .
C28 C29 H67 119.9 .
C29 C30 C31 120.5(3) .
C29 C30 H68 119.7 .
C31 C30 H68 119.7 .
C30 C31 C32 119.6(4) .
C30 C31 H69 120.2 .
C32 C31 H69 120.2 .
C27 C32 C31 120.3(4) .
C27 C32 H70 119.8 .
C31 C32 H70 119.8 .
C12 O3 H94 110(2) .
O4 P2 C33 113.90(14) .
O4 P2 C13 109.78(13) .
C33 P2 C13 108.81(13) .
O4 P2 C39 111.99(14) .
C33 P2 C39 106.65(14) .
C13 P2 C39 105.29(13) .
C38 C33 C34 118.5(3) .
C38 C33 P2 122.0(2) .
C34 C33 P2 119.5(2) .
C35 C34 C33 120.0(3) .
C35 C34 H1 120.0 .
C33 C34 H1 120.0 .
C36 C35 C34 120.8(4) .
C36 C35 H2 119.6 .
C34 C35 H2 119.6 .
C35 C36 C37 120.3(3) .
C35 C36 H3 119.8 .
C37 C36 H3 119.8 .
C36 C37 C38 119.3(4) .
C36 C37 H4 120.4 .
C38 C37 H4 120.4 .
C33 C38 C37 120.9(3) .
C33 C38 H5 119.5 .
C37 C38 H5 119.5 .
C40 C39 C44 119.5(3) .
C40 C39 P2 123.2(3) .
C44 C39 P2 117.3(3) .
C39 C40 C41 119.8(4) .
C39 C40 H6 120.1 .
C41 C40 H6 120.1 .
C42 C41 C40 119.6(4) .
C42 C41 H7 120.2 .
C40 C41 H7 120.2 .
C43 C42 C41 121.0(3) .
C43 C42 H8 119.5 .
C41 C42 H8 119.5 .
C42 C43 C44 120.0(4) .
C42 C43 H9 120.0 .
C44 C43 H9 120.0 .
C39 C44 C43 120.2(4) .
C39 C44 H10 119.9 .
C43 C44 H10 119.9 .
C46 C45 C53 119.5(2) .
C46 C45 C55 120.3(2) .
C53 C45 C55 120.2(2) .
O5 C46 C45 118.2(2) .
O5 C46 C47 120.6(2) .
C45 C46 C47 121.1(2) .
C48 C47 C46 119.9(2) .
C48 C47 P3 123.4(2) .
C46 C47 P3 116.6(2) .
C47 C48 C54 121.0(2) .
C47 C48 H71 119.5 .
C54 C48 H71 119.5 .
C50 C49 C54 120.9(3) .
C50 C49 H72 119.6 .
C54 C49 H72 119.6 .
C49 C50 C51 119.6(3) .
C49 C50 H73 120.2 .
C51 C50 H73 120.2 .
C52 C51 C50 120.7(3) .
C52 C51 H74 119.7 .
C50 C51 H74 119.7 .
C51 C52 C53 121.8(3) .
C51 C52 H75 119.1 .
C53 C52 H75 119.1 .
C52 C53 C54 117.3(2) .
C52 C53 C45 123.2(2) .
C54 C53 C45 119.5(2) .
C49 C54 C48 121.3(3) .
C49 C54 C53 119.8(3) .
C48 C54 C53 118.8(2) .
C56 C55 C63 119.5(2) .
C56 C55 C45 120.2(2) .
C63 C55 C45 120.4(2) .
O7 C56 C55 118.6(2) .
O7 C56 C57 120.4(2) .
C55 C56 C57 121.0(2) .
C58 C57 C56 119.7(2) .
C58 C57 P4 123.4(2) .
C56 C57 P4 116.78(19) .
C57 C58 C64 120.9(2) .
C57 C58 H76 119.6 .
C64 C58 H76 119.6 .
C60 C59 C64 121.0(3) .
C60 C59 H77 119.5 .
C64 C59 H77 119.5 .
C59 C60 C61 120.0(3) .
C59 C60 H78 120.0 .
C61 C60 H78 120.0 .
C62 C61 C60 120.5(3) .
C62 C61 H79 119.7 .
C60 C61 H79 119.7 .
C61 C62 C63 121.4(3) .
C61 C62 H80 119.3 .
C63 C62 H80 119.3 .
C64 C63 C62 117.8(2) .
C64 C63 C55 119.4(2) .
C62 C63 C55 122.8(2) .
C59 C64 C63 119.2(2) .
C59 C64 C58 121.4(3) .
C63 C64 C58 119.4(2) .
C46 O5 H92 108(3) .
O6 P3 C65 113.88(13) .
O6 P3 C47 109.50(13) .
C65 P3 C47 109.11(13) .
O6 P3 C71 112.21(14) .
C65 P3 C71 106.59(13) .
C47 P3 C71 105.13(14) .
C66 C65 C70 118.4(3) .
C66 C65 P3 122.0(2) .
C70 C65 P3 119.6(2) .
C65 C66 C67 120.8(3) .
C65 C66 H11 119.6 .
C67 C66 H11 119.6 .
C68 C67 C66 119.2(4) .
C68 C67 H12 120.4 .
C66 C67 H12 120.4 .
C69 C68 C67 120.6(4) .
C69 C68 H13 119.7 .
C67 C68 H13 119.7 .
C68 C69 C70 120.6(4) .
C68 C69 H14 119.7 .
C70 C69 H14 119.7 .
C69 C70 C65 120.2(3) .
C69 C70 H15 119.9 .
C65 C70 H15 119.9 .
C72 C71 C76 119.1(3) .
C72 C71 P3 117.8(3) .
C76 C71 P3 123.1(2) .
C73 C72 C71 120.7(4) .
C73 C72 H16 119.6 .
C71 C72 H16 119.6 .
C74 C73 C72 120.0(4) .
C74 C73 H17 120.0 .
C72 C73 H17 120.0 .
C73 C74 C75 120.8(3) .
C73 C74 H18 119.6 .
C75 C74 H18 119.6 .
C74 C75 C76 119.3(4) .
C74 C75 H19 120.3 .
C76 C75 H19 120.3 .
C71 C76 C75 120.0(4) .
C71 C76 H20 120.0 .
C75 C76 H20 120.0 .
C56 O7 H93 107(3) .
O8 P4 C77 113.47(14) .
O8 P4 C57 109.79(13) .
C77 P4 C57 109.19(13) .
O8 P4 C83 112.41(14) .
C77 P4 C83 106.52(14) .
C57 P4 C83 105.05(14) .
C82 C77 C78 118.7(3) .
C82 C77 P4 121.6(2) .
C78 C77 P4 119.7(2) .
C79 C78 C77 120.6(4) .
C79 C78 H21 119.7 .
C77 C78 H21 119.7 .
C80 C79 C78 120.2(4) .
C80 C79 H22 119.9 .
C78 C79 H22 119.9 .
C79 C80 C81 120.4(3) .
C79 C80 H23 119.8 .
C81 C80 H23 119.8 .
C80 C81 C82 119.6(4) .
C80 C81 H24 120.2 .
C82 C81 H24 120.2 .
C77 C82 C81 120.4(3) .
C77 C82 H25 119.8 .
C81 C82 H25 119.8 .
C84 C83 C88 119.8(3) .
C84 C83 P4 123.2(3) .
C88 C83 P4 117.0(3) .
C83 C84 C85 120.1(4) .
C83 C84 H26 119.9 .
C85 C84 H26 119.9 .
C86 C85 C84 119.2(4) .
C86 C85 H27 120.4 .
C84 C85 H27 120.4 .
C87 C86 C85 121.2(3) .
C87 C86 H28 119.4 .
C85 C86 H28 119.4 .
C86 C87 C88 120.0(4) .
C86 C87 H29 120.0 .
C88 C87 H29 120.0 .
C83 C88 C87 119.7(4) .
C83 C88 H30 120.2 .
C87 C88 H30 120.2 .
C90 C89 C97 119.8(2) .
C90 C89 C89 120.0(2) 2
C97 C89 C89 120.3(2) 2
O9 C90 C89 119.1(2) .
O9 C90 C91 120.4(2) .
C89 C90 C91 120.4(2) .
C92 C91 C90 120.0(2) .
C92 C91 P5 123.5(2) .
C90 C91 P5 116.43(19) .
C91 C92 C98 120.9(2) .
C91 C92 H81 119.6 .
C98 C92 H81 119.6 .
C94 C93 C98 120.8(3) .
C94 C93 H82 119.6 .
C98 C93 H82 119.6 .
C93 C94 C95 120.1(3) .
C93 C94 H83 119.9 .
C95 C94 H83 119.9 .
C96 C95 C94 120.8(3) .
C96 C95 H84 119.6 .
C94 C95 H84 119.6 .
C95 C96 C97 121.1(3) .
C95 C96 H85 119.4 .
C97 C96 H85 119.4 .
C98 C97 C96 117.8(2) .
C98 C97 C89 119.5(2) .
C96 C97 C89 122.7(2) .
C92 C98 C97 119.2(2) .
C92 C98 C93 121.3(2) .
C97 C98 C93 119.4(2) .
C100 C99 C107 119.8(2) .
C100 C99 C99 119.7(2) 2_556
C107 C99 C99 120.5(2) 2_556
O11 C100 C99 118.7(2) .
O11 C100 C101 120.6(2) .
C99 C100 C101 120.7(2) .
C102 C101 C100 119.6(2) .
C102 C101 P6 123.8(2) .
C100 C101 P6 116.5(2) .
C101 C102 C108 121.4(2) .
C101 C102 H86 119.3 .
C108 C102 H86 119.3 .
C104 C103 C108 121.0(3) .
C104 C103 H87 119.5 .
C108 C103 H87 119.5 .
C103 C104 C105 119.7(3) .
C103 C104 H88 120.2 .
C105 C104 H88 120.2 .
C106 C105 C104 121.0(3) .
C106 C105 H89 119.5 .
C104 C105 H89 119.5 .
C105 C106 C107 121.2(3) .
C105 C106 H90 119.4 .
C107 C106 H90 119.4 .
C106 C107 C108 117.5(2) .
C106 C107 C99 123.0(2) .
C108 C107 C99 119.5(2) .
C102 C108 C107 118.8(2) .
C102 C108 C103 121.6(3) .
C107 C108 C103 119.6(2) .
C90 O9 H91 108(2) .
O10 P5 C109 113.67(14) .
O10 P5 C115 112.38(14) .
C109 P5 C115 106.42(13) .
O10 P5 C91 109.65(13) .
C109 P5 C91 109.07(13) .
C115 P5 C91 105.25(14) .
C114 C109 C110 118.5(3) .
C114 C109 P5 121.8(2) .
C110 C109 P5 119.7(2) .
C109 C110 C111 120.5(3) .
C109 C110 H31 119.7 .
C111 C110 H31 119.7 .
C112 C111 C110 120.3(4) .
C112 C111 H32 119.8 .
C110 C111 H32 119.8 .
C111 C112 C113 120.3(3) .
C111 C112 H33 119.9 .
C113 C112 H33 119.9 .
C112 C113 C114 119.5(4) .
C112 C113 H34 120.3 .
C114 C113 H34 120.3 .
C109 C114 C113 120.8(3) .
C109 C114 H35 119.6 .
C113 C114 H35 119.6 .
C116 C115 C120 119.5(3) .
C116 C115 P5 123.3(2) .
C120 C115 P5 117.2(3) .
C115 C116 C117 120.2(3) .
C115 C116 H36 119.9 .
C117 C116 H36 119.9 .
C118 C117 C116 119.3(4) .
C118 C117 H37 120.4 .
C116 C117 H37 120.4 .
C119 C118 C117 120.7(3) .
C119 C118 H38 119.7 .
C117 C118 H38 119.7 .
C118 C119 C120 120.4(4) .
C118 C119 H39 119.8 .
C120 C119 H39 119.8 .
C115 C120 C119 119.8(4) .
C115 C120 H40 120.1 .
C119 C120 H40 120.1 .
C100 O11 H96 110(3) .
O12 P6 C121 113.57(14) .
O12 P6 C101 109.91(13) .
C121 P6 C101 108.98(13) .
O12 P6 C127 112.15(14) .
C121 P6 C127 106.75(14) .
C101 P6 C127 105.08(14) .
C126 C121 C122 118.5(3) .
C126 C121 P6 122.0(2) .
C122 C121 P6 119.5(2) .
C123 C122 C121 120.0(3) .
C123 C122 H41 120.0 .
C121 C122 H41 120.0 .
C124 C123 C122 120.7(4) .
C124 C123 H42 119.7 .
C122 C123 H42 119.7 .
C123 C124 C125 120.2(4) .
C123 C124 H43 119.9 .
C125 C124 H43 119.9 .
C124 C125 C126 119.4(4) .
C124 C125 H44 120.3 .
C126 C125 H44 120.3 .
C121 C126 C125 121.2(3) .
C121 C126 H45 119.4 .
C125 C126 H45 119.4 .
C132 C127 C128 119.2(3) .
C132 C127 P6 123.3(3) .
C128 C127 P6 117.4(3) .
C129 C128 C127 120.3(4) .
C129 C128 H46 119.9 .
C127 C128 H46 119.9 .
C130 C129 C128 120.0(4) .
C130 C129 H47 120.0 .
C128 C129 H47 120.0 .
C129 C130 C131 121.0(3) .
C129 C130 H48 119.5 .
C131 C130 H48 119.5 .
C130 C131 C132 119.1(4) .
C130 C131 H49 120.4 .
C132 C131 H49 120.4 .
C127 C132 C131 120.4(4) .
C127 C132 H50 119.8 .
C131 C132 H50 119.8 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.375(4) .
C1 C9 1.425(4) .
C1 C11 1.501(3) .
C2 O1 1.361(3) .
C2 C3 1.425(4) .
C3 C4 1.368(4) .
C3 P1 1.800(3) .
C4 C10 1.418(4) .
C4 H51 0.9500 .
C5 C6 1.362(4) .
C5 C10 1.416(4) .
C5 H52 0.9500 .
C6 C7 1.394(5) .
C6 H53 0.9500 .
C7 C8 1.366(4) .
C7 H54 0.9500 .
C8 C9 1.423(4) .
C8 H55 0.9500 .
C9 C10 1.421(4) .
C11 C12 1.378(4) .
C11 C19 1.428(4) .
C12 O3 1.364(3) .
C12 C13 1.426(4) .
C13 C14 1.377(4) .
C13 P2 1.798(3) .
C14 C20 1.416(4) .
C14 H56 0.9500 .
C15 C16 1.358(4) .
C15 C20 1.426(4) .
C15 H57 0.9500 .
C16 C17 1.409(4) .
C16 H58 0.9500 .
C17 C18 1.370(4) .
C17 H59 0.9500 .
C18 C19 1.421(4) .
C18 H60 0.9500 .
C19 C20 1.419(4) .
O1 H95 0.87(4) .
P1 O2 1.493(2) .
P1 C21 1.792(3) .
P1 C27 1.806(3) .
C21 C22 1.377(4) .
C21 C26 1.387(5) .
C22 C23 1.384(5) .
C22 H61 0.9500 .
C23 C24 1.385(6) .
C23 H62 0.9500 .
C24 C25 1.353(6) .
C24 H63 0.9500 .
C25 C26 1.373(6) .
C25 H64 0.9500 .
C26 H65 0.9500 .
C27 C28 1.395(5) .
C27 C32 1.390(5) .
C28 C29 1.389(5) .
C28 H66 0.9500 .
C29 C30 1.367(6) .
C29 H67 0.9500 .
C30 C31 1.389(6) .
C30 H68 0.9500 .
C31 C32 1.395(5) .
C31 H69 0.9500 .
C32 H70 0.9500 .
O3 H94 0.96(4) .
P2 O4 1.501(2) .
P2 C33 1.786(3) .
P2 C39 1.802(3) .
C33 C38 1.379(5) .
C33 C34 1.386(5) .
C34 C35 1.383(5) .
C34 H1 0.9500 .
C35 C36 1.353(6) .
C35 H2 0.9500 .
C36 C37 1.372(6) .
C36 H3 0.9500 .
C37 C38 1.391(5) .
C37 H4 0.9500 .
C38 H5 0.9500 .
C39 C40 1.391(5) .
C39 C44 1.397(5) .
C40 C41 1.396(5) .
C40 H6 0.9500 .
C41 C42 1.395(6) .
C41 H7 0.9500 .
C42 C43 1.358(6) .
C42 H8 0.9500 .
C43 C44 1.394(5) .
C43 H9 0.9500 .
C44 H10 0.9500 .
C45 C46 1.376(4) .
C45 C53 1.434(4) .
C45 C55 1.500(3) .
C46 O5 1.366(3) .
C46 C47 1.423(4) .
C47 C48 1.370(4) .
C47 P3 1.797(3) .
C48 C54 1.423(4) .
C48 H71 0.9500 .
C49 C50 1.364(4) .
C49 C54 1.419(4) .
C49 H72 0.9500 .
C50 C51 1.408(4) .
C50 H73 0.9500 .
C51 C52 1.365(4) .
C51 H74 0.9500 .
C52 C53 1.416(4) .
C52 H75 0.9500 .
C53 C54 1.424(4) .
C55 C56 1.387(4) .
C55 C63 1.426(4) .
C56 O7 1.360(3) .
C56 C57 1.422(4) .
C57 C58 1.369(4) .
C57 P4 1.802(3) .
C58 C64 1.423(4) .
C58 H76 0.9500 .
C59 C60 1.368(4) .
C59 C64 1.419(4) .
C59 H77 0.9500 .
C60 C61 1.398(4) .
C60 H78 0.9500 .
C61 C62 1.367(4) .
C61 H79 0.9500 .
C62 C63 1.422(4) .
C62 H80 0.9500 .
C63 C64 1.419(4) .
O5 H92 0.85(5) .
P3 O6 1.502(2) .
P3 C65 1.788(3) .
P3 C71 1.798(3) .
C65 C66 1.387(4) .
C65 C70 1.386(5) .
C66 C67 1.388(5) .
C66 H11 0.9500 .
C67 C68 1.375(5) .
C67 H12 0.9500 .
C68 C69 1.353(6) .
C68 H13 0.9500 .
C69 C70 1.382(5) .
C69 H14 0.9500 .
C70 H15 0.9500 .
C71 C72 1.396(5) .
C71 C76 1.390(5) .
C72 C73 1.385(5) .
C72 H16 0.9500 .
C73 C74 1.365(6) .
C73 H17 0.9500 .
C74 C75 1.392(6) .
C74 H18 0.9500 .
C75 C76 1.404(5) .
C75 H19 0.9500 .
C76 H20 0.9500 .
O7 H93 0.92(4) .
P4 O8 1.492(2) .
P4 C77 1.793(3) .
P4 C83 1.805(3) .
C77 C82 1.377(5) .
C77 C78 1.385(5) .
C78 C79 1.381(5) .
C78 H21 0.9500 .
C79 C80 1.353(6) .
C79 H22 0.9500 .
C80 C81 1.378(6) .
C80 H23 0.9500 .
C81 C82 1.390(5) .
C81 H24 0.9500 .
C82 H25 0.9500 .
C83 C84 1.391(5) .
C83 C88 1.396(5) .
C84 C85 1.396(5) .
C84 H26 0.9500 .
C85 C86 1.389(6) .
C85 H27 0.9500 .
C86 C87 1.369(6) .
C86 H28 0.9500 .
C87 C88 1.395(5) .
C87 H29 0.9500 .
C88 H30 0.9500 .
C89 C90 1.379(4) .
C89 C97 1.426(4) .
C89 C89 1.504(5) 2
C90 O9 1.355(3) .
C90 C91 1.433(4) .
C91 C92 1.364(4) .
C91 P5 1.804(3) .
C92 C98 1.420(4) .
C92 H81 0.9500 .
C93 C94 1.358(4) .
C93 C98 1.426(4) .
C93 H82 0.9500 .
C94 C95 1.405(5) .
C94 H83 0.9500 .
C95 C96 1.365(4) .
C95 H84 0.9500 .
C96 C97 1.424(4) .
C96 H85 0.9500 .
C97 C98 1.421(4) .
C99 C100 1.377(4) .
C99 C107 1.429(4) .
C99 C99 1.502(5) 2_556
C100 O11 1.362(3) .
C100 C101 1.423(3) .
C101 C102 1.371(4) .
C101 P6 1.795(3) .
C102 C108 1.414(4) .
C102 H86 0.9500 .
C103 C104 1.360(4) .
C103 C108 1.426(4) .
C103 H87 0.9500 .
C104 C105 1.403(4) .
C104 H88 0.9500 .
C105 C106 1.369(4) .
C105 H89 0.9500 .
C106 C107 1.421(4) .
C106 H90 0.9500 .
C107 C108 1.420(4) .
O9 H91 0.95(4) .
P5 O10 1.498(2) .
P5 C109 1.794(3) .
P5 C115 1.801(3) .
C109 C114 1.379(4) .
C109 C110 1.377(5) .
C110 C111 1.386(5) .
C110 H31 0.9500 .
C111 C112 1.355(6) .
C111 H32 0.9500 .
C112 C113 1.372(6) .
C112 H33 0.9500 .
C113 C114 1.389(5) .
C113 H34 0.9500 .
C114 H35 0.9500 .
C115 C116 1.384(5) .
C115 C120 1.391(5) .
C116 C117 1.403(5) .
C116 H36 0.9500 .
C117 C118 1.386(6) .
C117 H37 0.9500 .
C118 C119 1.361(6) .
C118 H38 0.9500 .
C119 C120 1.397(5) .
C119 H39 0.9500 .
C120 H40 0.9500 .
O11 H96 0.88(4) .
P6 O12 1.497(2) .
P6 C121 1.790(3) .
P6 C127 1.807(3) .
C121 C126 1.376(4) .
C121 C122 1.392(5) .
C122 C123 1.390(5) .
C122 H41 0.9500 .
C123 C124 1.351(6) .
C123 H42 0.9500 .
C124 C125 1.385(6) .
C124 H43 0.9500 .
C125 C126 1.385(5) .
C125 H44 0.9500 .
C126 H45 0.9500 .
C127 C132 1.384(5) .
C127 C128 1.400(5) .
C128 C129 1.392(5) .
C128 H46 0.9500 .
C129 C130 1.364(6) .
C129 H47 0.9500 .
C130 C131 1.394(6) .
C130 H48 0.9500 .
C131 C132 1.400(5) .
C131 H49 0.9500 .
C132 H50 0.9500 .
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
C9 C1 C2 O1 -178.5(2) .
C11 C1 C2 O1 1.7(4) .
C9 C1 C2 C3 4.2(4) .
C11 C1 C2 C3 -175.6(2) .
O1 C2 C3 C4 177.6(3) .
C1 C2 C3 C4 -5.1(4) .
O1 C2 C3 P1 -6.8(3) .
C1 C2 C3 P1 170.5(2) .
C2 C3 C4 C10 2.1(4) .
P1 C3 C4 C10 -173.2(2) .
C10 C5 C6 C7 -1.3(5) .
C5 C6 C7 C8 0.4(5) .
C6 C7 C8 C9 0.6(5) .
C7 C8 C9 C10 -0.6(4) .
C7 C8 C9 C1 -179.7(3) .
C2 C1 C9 C8 178.7(3) .
C11 C1 C9 C8 -1.5(4) .
C2 C1 C9 C10 -0.3(4) .
C11 C1 C9 C10 179.5(2) .
C6 C5 C10 C4 -177.3(3) .
C6 C5 C10 C9 1.3(4) .
C3 C4 C10 C5 -179.7(3) .
C3 C4 C10 C9 1.6(4) .
C8 C9 C10 C5 -0.3(4) .
C1 C9 C10 C5 178.7(3) .
C8 C9 C10 C4 178.4(3) .
C1 C9 C10 C4 -2.6(4) .
C2 C1 C11 C12 -73.3(3) .
C9 C1 C11 C12 106.9(3) .
C2 C1 C11 C19 107.3(3) .
C9 C1 C11 C19 -72.5(3) .
C19 C11 C12 O3 -178.3(2) .
C1 C11 C12 O3 2.3(4) .
C19 C11 C12 C13 3.5(4) .
C1 C11 C12 C13 -175.9(2) .
O3 C12 C13 C14 177.6(3) .
C11 C12 C13 C14 -4.3(4) .
O3 C12 C13 P2 -7.3(3) .
C11 C12 C13 P2 170.9(2) .
C12 C13 C14 C20 1.3(4) .
P2 C13 C14 C20 -173.5(2) .
C20 C15 C16 C17 -0.3(5) .
C15 C16 C17 C18 -0.4(5) .
C16 C17 C18 C19 0.8(5) .
C17 C18 C19 C20 -0.5(4) .
C17 C18 C19 C11 -179.7(3) .
C12 C11 C19 C20 0.1(4) .
C1 C11 C19 C20 179.5(2) .
C12 C11 C19 C18 179.3(3) .
C1 C11 C19 C18 -1.3(4) .
C13 C14 C20 C19 2.3(4) .
C13 C14 C20 C15 -179.8(3) .
C18 C19 C20 C14 177.8(3) .
C11 C19 C20 C14 -3.0(4) .
C18 C19 C20 C15 -0.2(4) .
C11 C19 C20 C15 179.0(3) .
C16 C15 C20 C14 -177.3(3) .
C16 C15 C20 C19 0.6(5) .
C4 C3 P1 O2 -139.1(2) .
C2 C3 P1 O2 45.4(2) .
C4 C3 P1 C21 -14.5(3) .
C2 C3 P1 C21 170.0(2) .
C4 C3 P1 C27 99.7(3) .
C2 C3 P1 C27 -75.7(2) .
O2 P1 C21 C22 -143.2(3) .
C3 P1 C21 C22 94.2(3) .
C27 P1 C21 C22 -19.0(3) .
O2 P1 C21 C26 37.2(4) .
C3 P1 C21 C26 -85.4(3) .
C27 P1 C21 C26 161.5(3) .
C26 C21 C22 C23 -0.9(6) .
P1 C21 C22 C23 179.5(3) .
C21 C22 C23 C24 -0.4(7) .
C22 C23 C24 C25 2.6(7) .
C23 C24 C25 C26 -3.5(9) .
C24 C25 C26 C21 2.1(9) .
C22 C21 C26 C25 0.1(7) .
P1 C21 C26 C25 179.7(4) .
O2 P1 C27 C28 31.6(3) .
C21 P1 C27 C28 -93.0(3) .
C3 P1 C27 C28 151.0(3) .
O2 P1 C27 C32 -148.3(3) .
C21 P1 C27 C32 87.1(3) .
C3 P1 C27 C32 -28.9(3) .
C32 C27 C28 C29 0.8(5) .
P1 C27 C28 C29 -179.1(3) .
C27 C28 C29 C30 -0.2(6) .
C28 C29 C30 C31 -0.8(6) .
C29 C30 C31 C32 1.1(5) .
C28 C27 C32 C31 -0.4(5) .
P1 C27 C32 C31 179.5(3) .
C30 C31 C32 C27 -0.6(5) .
C14 C13 P2 O4 -140.0(2) .
C12 C13 P2 O4 45.1(2) .
C14 C13 P2 C33 -14.7(3) .
C12 C13 P2 C33 170.3(2) .
C14 C13 P2 C39 99.3(3) .
C12 C13 P2 C39 -75.7(2) .
O4 P2 C33 C38 -142.5(3) .
C13 P2 C33 C38 94.7(3) .
C39 P2 C33 C38 -18.4(3) .
O4 P2 C33 C34 37.3(4) .
C13 P2 C33 C34 -85.5(3) .
C39 P2 C33 C34 161.4(3) .
C38 C33 C34 C35 -0.7(7) .
P2 C33 C34 C35 179.5(4) .
C33 C34 C35 C36 2.7(9) .
C34 C35 C36 C37 -3.4(9) .
C35 C36 C37 C38 2.1(7) .
C34 C33 C38 C37 -0.5(6) .
P2 C33 C38 C37 179.3(3) .
C36 C37 C38 C33 -0.2(7) .
O4 P2 C39 C40 -148.0(3) .
C33 P2 C39 C40 86.7(3) .
C13 P2 C39 C40 -28.8(3) .
O4 P2 C39 C44 31.6(3) .
C33 P2 C39 C44 -93.7(3) .
C13 P2 C39 C44 150.8(2) .
C44 C39 C40 C41 0.1(5) .
P2 C39 C40 C41 179.7(3) .
C39 C40 C41 C42 -1.5(5) .
C40 C41 C42 C43 2.1(5) .
C41 C42 C43 C44 -1.3(6) .
C40 C39 C44 C43 0.7(5) .
P2 C39 C44 C43 -178.9(3) .
C42 C43 C44 C39 -0.1(6) .
C53 C45 C46 O5 -178.3(2) .
C55 C45 C46 O5 2.2(4) .
C53 C45 C46 C47 3.8(4) .
C55 C45 C46 C47 -175.6(2) .
O5 C46 C47 C48 177.3(3) .
C45 C46 C47 C48 -4.9(4) .
O5 C46 C47 P3 -6.9(3) .
C45 C46 C47 P3 170.8(2) .
C46 C47 C48 C54 1.9(4) .
P3 C47 C48 C54 -173.5(2) .
C54 C49 C50 C51 -0.8(5) .
C49 C50 C51 C52 0.1(5) .
C50 C51 C52 C53 0.5(5) .
C51 C52 C53 C54 -0.5(4) .
C51 C52 C53 C45 -179.6(3) .
C46 C45 C53 C52 179.2(3) .
C55 C45 C53 C52 -1.3(4) .
C46 C45 C53 C54 0.2(4) .
C55 C45 C53 C54 179.6(2) .
C50 C49 C54 C48 -177.2(3) .
C50 C49 C54 C53 0.8(5) .
C47 C48 C54 C49 180.0(3) .
C47 C48 C54 C53 2.0(4) .
C52 C53 C54 C49 -0.2(4) .
C45 C53 C54 C49 179.0(3) .
C52 C53 C54 C48 177.8(3) .
C45 C53 C54 C48 -3.0(4) .
C46 C45 C55 C56 -73.2(3) .
C53 C45 C55 C56 107.4(3) .
C46 C45 C55 C63 106.8(3) .
C53 C45 C55 C63 -72.6(3) .
C63 C55 C56 O7 -178.1(2) .
C45 C55 C56 O7 2.0(4) .
C63 C55 C56 C57 4.2(4) .
C45 C55 C56 C57 -175.7(2) .
O7 C56 C57 C58 177.3(3) .
C55 C56 C57 C58 -5.1(4) .
O7 C56 C57 P4 -6.9(3) .
C55 C56 C57 P4 170.7(2) .
C56 C57 C58 C64 1.9(4) .
P4 C57 C58 C64 -173.6(2) .
C64 C59 C60 C61 -0.8(5) .
C59 C60 C61 C62 0.0(5) .
C60 C61 C62 C63 0.7(5) .
C61 C62 C63 C64 -0.5(4) .
C61 C62 C63 C55 -179.8(3) .
C56 C55 C63 C64 -0.4(4) .
C45 C55 C63 C64 179.5(2) .
C56 C55 C63 C62 179.0(3) .
C45 C55 C63 C62 -1.1(4) .
C60 C59 C64 C63 0.9(5) .
C60 C59 C64 C58 -177.3(3) .
C62 C63 C64 C59 -0.3(4) .
C55 C63 C64 C59 179.1(3) .
C62 C63 C64 C58 178.0(3) .
C55 C63 C64 C58 -2.6(4) .
C57 C58 C64 C59 -179.9(3) .
C57 C58 C64 C63 1.8(4) .
C48 C47 P3 O6 -139.7(2) .
C46 C47 P3 O6 44.7(2) .
C48 C47 P3 C65 -14.4(3) .
C46 C47 P3 C65 170.0(2) .
C48 C47 P3 C71 99.6(3) .
C46 C47 P3 C71 -76.0(2) .
O6 P3 C65 C66 -142.8(3) .
C47 P3 C65 C66 94.5(3) .
C71 P3 C65 C66 -18.5(3) .
O6 P3 C65 C70 37.4(4) .
C47 P3 C65 C70 -85.3(3) .
C71 P3 C65 C70 161.7(3) .
C70 C65 C66 C67 -0.5(6) .
P3 C65 C66 C67 179.7(3) .
C65 C66 C67 C68 -0.5(7) .
C66 C67 C68 C69 2.2(8) .
C67 C68 C69 C70 -2.9(9) .
C68 C69 C70 C65 1.9(9) .
C66 C65 C70 C69 -0.2(7) .
P3 C65 C70 C69 179.6(4) .
O6 P3 C71 C72 32.2(3) .
C65 P3 C71 C72 -93.1(3) .
C47 P3 C71 C72 151.2(2) .
O6 P3 C71 C76 -148.5(2) .
C65 P3 C71 C76 86.2(3) .
C47 P3 C71 C76 -29.5(3) .
C76 C71 C72 C73 2.0(5) .
P3 C71 C72 C73 -178.7(3) .
C71 C72 C73 C74 -1.5(6) .
C72 C73 C74 C75 0.2(6) .
C73 C74 C75 C76 0.5(5) .
C72 C71 C76 C75 -1.2(5) .
P3 C71 C76 C75 179.5(3) .
C74 C75 C76 C71 0.0(5) .
C58 C57 P4 O8 -139.5(2) .
C56 C57 P4 O8 44.9(2) .
C58 C57 P4 C77 -14.5(3) .
C56 C57 P4 C77 169.9(2) .
C58 C57 P4 C83 99.5(3) .
C56 C57 P4 C83 -76.2(2) .
O8 P4 C77 C82 -142.4(3) .
C57 P4 C77 C82 94.8(3) .
C83 P4 C77 C82 -18.2(3) .
O8 P4 C77 C78 37.2(4) .
C57 P4 C77 C78 -85.6(3) .
C83 P4 C77 C78 161.4(3) .
C82 C77 C78 C79 -0.5(7) .
P4 C77 C78 C79 179.8(4) .
C77 C78 C79 C80 2.2(9) .
C78 C79 C80 C81 -2.8(9) .
C79 C80 C81 C82 1.7(7) .
C78 C77 C82 C81 -0.5(6) .
P4 C77 C82 C81 179.1(3) .
C80 C81 C82 C77 -0.1(7) .
O8 P4 C83 C84 -147.9(3) .
C77 P4 C83 C84 87.2(3) .
C57 P4 C83 C84 -28.6(3) .
O8 P4 C83 C88 31.1(3) .
C77 P4 C83 C88 -93.7(3) .
C57 P4 C83 C88 150.5(2) .
C88 C83 C84 C85 0.1(5) .
P4 C83 C84 C85 179.2(2) .
C83 C84 C85 C86 -0.7(5) .
C84 C85 C86 C87 1.4(5) .
C85 C86 C87 C88 -1.4(6) .
C84 C83 C88 C87 -0.1(5) .
P4 C83 C88 C87 -179.2(3) .
C86 C87 C88 C83 0.8(6) .
C97 C89 C90 O9 -178.3(2) .
C89 C89 C90 O9 1.8(4) 2
C97 C89 C90 C91 4.3(4) .
C89 C89 C90 C91 -175.6(2) 2
O9 C90 C91 C92 177.0(3) .
C89 C90 C91 C92 -5.6(4) .
O9 C90 C91 P5 -6.7(3) .
C89 C90 C91 P5 170.7(2) .
C90 C91 C92 C98 2.8(4) .
P5 C91 C92 C98 -173.2(2) .
C98 C93 C94 C95 -0.8(5) .
C93 C94 C95 C96 0.0(5) .
C94 C95 C96 C97 0.7(5) .
C95 C96 C97 C98 -0.6(4) .
C95 C96 C97 C89 -179.6(3) .
C90 C89 C97 C98 -0.2(4) .
C89 C89 C97 C98 179.7(2) 2
C90 C89 C97 C96 178.7(3) .
C89 C89 C97 C96 -1.4(4) 2
C91 C92 C98 C97 1.2(4) .
C91 C92 C98 C93 179.8(3) .
C96 C97 C98 C92 178.4(3) .
C89 C97 C98 C92 -2.6(4) .
C96 C97 C98 C93 -0.1(4) .
C89 C97 C98 C93 178.8(3) .
C94 C93 C98 C92 -177.7(3) .
C94 C93 C98 C97 0.9(5) .
C107 C99 C100 O11 -178.6(2) .
C99 C99 C100 O11 2.3(4) 2_556
C107 C99 C100 C101 3.8(4) .
C99 C99 C100 C101 -175.3(3) 2_556
O11 C100 C101 C102 177.3(3) .
C99 C100 C101 C102 -5.1(4) .
O11 C100 C101 P6 -6.5(3) .
C99 C100 C101 P6 171.0(2) .
C100 C101 C102 C108 2.1(4) .
P6 C101 C102 C108 -173.7(2) .
C108 C103 C104 C105 -0.4(5) .
C103 C104 C105 C106 -0.1(5) .
C104 C105 C106 C107 0.7(5) .
C105 C106 C107 C108 -0.9(4) .
C105 C106 C107 C99 -179.4(3) .
C100 C99 C107 C106 178.9(3) .
C99 C99 C107 C106 -1.9(4) 2_556
C100 C99 C107 C108 0.4(4) .
C99 C99 C107 C108 179.5(3) 2_556
C101 C102 C108 C107 2.1(4) .
C101 C102 C108 C103 179.7(3) .
C106 C107 C108 C102 178.1(3) .
C99 C107 C108 C102 -3.3(4) .
C106 C107 C108 C103 0.4(4) .
C99 C107 C108 C103 179.0(3) .
C104 C103 C108 C102 -177.4(3) .
C104 C103 C108 C107 0.3(5) .
C92 C91 P5 O10 -139.1(2) .
C90 C91 P5 O10 44.7(2) .
C92 C91 P5 C109 -14.1(3) .
C90 C91 P5 C109 169.7(2) .
C92 C91 P5 C115 99.8(3) .
C90 C91 P5 C115 -76.4(2) .
O10 P5 C109 C114 -142.4(3) .
C115 P5 C109 C114 -18.2(3) .
C91 P5 C109 C114 94.9(3) .
O10 P5 C109 C110 37.2(4) .
C115 P5 C109 C110 161.4(3) .
C91 P5 C109 C110 -85.5(4) .
C114 C109 C110 C111 -0.7(7) .
P5 C109 C110 C111 179.7(4) .
C109 C110 C111 C112 2.5(9) .
C110 C111 C112 C113 -3.6(9) .
C111 C112 C113 C114 2.8(8) .
C110 C109 C114 C113 0.0(6) .
P5 C109 C114 C113 179.6(3) .
C112 C113 C114 C109 -1.1(7) .
O10 P5 C115 C116 -148.1(3) .
C109 P5 C115 C116 86.9(3) .
C91 P5 C115 C116 -28.8(3) .
O10 P5 C115 C120 31.2(3) .
C109 P5 C115 C120 -93.8(3) .
C91 P5 C115 C120 150.5(2) .
C120 C115 C116 C117 0.2(5) .
P5 C115 C116 C117 179.4(2) .
C115 C116 C117 C118 -1.2(5) .
C116 C117 C118 C119 2.0(5) .
C117 C118 C119 C120 -1.7(6) .
C116 C115 C120 C119 0.1(5) .
P5 C115 C120 C119 -179.2(3) .
C118 C119 C120 C115 0.7(6) .
C102 C101 P6 O12 -139.2(2) .
C100 C101 P6 O12 44.8(2) .
C102 C101 P6 C121 -14.2(3) .
C100 C101 P6 C121 169.9(2) .
C102 C101 P6 C127 99.9(3) .
C100 C101 P6 C127 -76.0(2) .
O12 P6 C121 C126 -142.6(3) .
C101 P6 C121 C126 94.5(3) .
C127 P6 C121 C126 -18.5(3) .
O12 P6 C121 C122 37.6(4) .
C101 P6 C121 C122 -85.2(3) .
C127 P6 C121 C122 161.8(3) .
C126 C121 C122 C123 0.2(7) .
P6 C121 C122 C123 179.9(4) .
C121 C122 C123 C124 1.3(9) .
C122 C123 C124 C125 -2.2(9) .
C123 C124 C125 C126 1.6(7) .
C122 C121 C126 C125 -0.7(6) .
P6 C121 C126 C125 179.5(3) .
C124 C125 C126 C121 -0.1(7) .
O12 P6 C127 C132 -148.3(3) .
C121 P6 C127 C132 86.7(3) .
C101 P6 C127 C132 -28.9(3) .
O12 P6 C127 C128 31.5(3) .
C121 P6 C127 C128 -93.5(3) .
C101 P6 C127 C128 150.8(2) .
C132 C127 C128 C129 0.8(5) .
P6 C127 C128 C129 -179.0(3) .
C127 C128 C129 C130 -0.2(6) .
C128 C129 C130 C131 -1.0(6) .
C129 C130 C131 C132 1.6(5) .
C128 C127 C132 C131 -0.1(5) .
P6 C127 C132 C131 179.6(2) .
C130 C131 C132 C127 -1.0(5) .
