#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/19/1511943.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_1511943
loop_
_publ_author_name
'Danjo, Hiroshi'
'Iwaso, Kazuhisa'
'Kawahata, Masatoshi'
'Ohara, Kazuaki'
'Miyazawa, Toshifumi'
'Yamaguchi, Kentaro'
_publ_section_title
;
 Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back
 Ditopic Hosts
;
_journal_issue                   9
_journal_name_full               'Organic Letters'
_journal_page_first              2164
_journal_paper_doi               10.1021/ol4006882
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         C87H78O12,2(C60)
_chemical_formula_sum            'C207 H78 O12'
_chemical_formula_weight         2756.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.459(3)
_cell_length_b                   22.459(3)
_cell_length_c                   25.656(5)
_cell_measurement_temperature    100
_cell_volume                     12941(4)
_computing_cell_refinement       'HKL 2000'
_computing_data_collection       'HKL 2000'
_computing_data_reduction        'HKL 2000'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXH-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXH-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 19.4932
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'ADSC-Q210 CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  synchrotron
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.75000
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_av_sigmaI/netI    0.0164
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3937
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5664
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.073
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0(10)
_refine_ls_extinction_coef       0.0062(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.254
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1049
_refine_ls_number_reflns         3937
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.272
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0776
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2150
_refine_ls_wR_factor_ref         0.2179
_reflns_number_gt                3868
_reflns_number_total             3937
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol4006882_si_004.cif
_cod_data_source_block           12B01dan05
_cod_original_sg_symbol_H-M      I-4
_cod_database_code               1511943
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1132(3) 0.1072(3) 0.4001(2) 0.0302(15) Uani 1 1 d . . .
C2 C 0.0650(3) 0.0754(3) 0.4118(3) 0.0314(15) Uani 1 1 d . . .
C3 C 0.0235(3) 0.0907(3) 0.4491(3) 0.0311(15) Uani 1 1 d . D .
C4 C 0.0265(3) 0.1425(3) 0.4768(3) 0.0338(16) Uani 1 1 d . . .
H4 H -0.0013 0.1519 0.5023 0.041 Uiso 1 1 calc R D .
C5 C 0.0736(3) 0.1806(3) 0.4646(3) 0.0359(16) Uani 1 1 d . . .
C6 C 0.0778(3) 0.2372(3) 0.4880(3) 0.0373(16) Uani 1 1 d . . .
H6 H 0.0485 0.2484 0.5117 0.045 Uiso 1 1 calc R D .
C7 C 0.1232(4) 0.2773(3) 0.4774(3) 0.0444(19) Uani 1 1 d . . .
C8 C 0.1674(4) 0.2596(3) 0.4413(3) 0.0469(18) Uani 1 1 d . . .
H8 H 0.1986 0.2854 0.4337 0.056 Uiso 1 1 calc R D .
C9 C 0.1650(3) 0.2041(3) 0.4169(3) 0.0384(16) Uani 1 1 d . . .
H9 H 0.1948 0.1934 0.3935 0.046 Uiso 1 1 calc R . .
C10 C 0.1178(3) 0.1638(3) 0.4273(3) 0.0320(15) Uani 1 1 d . . .
C11 C 0.1245(5) 0.3378(3) 0.5007(4) 0.062(2) Uani 1 1 d D . .
H11A H 0.0890 0.3424 0.5219 0.074 Uiso 1 1 calc R D .
H11B H 0.1585 0.3399 0.5239 0.074 Uiso 1 1 calc R . .
C12 C 0.1277(7) 0.3891(6) 0.4649(6) 0.106(4) Uani 1 1 d DU . .
H12A H 0.1254 0.4254 0.4852 0.128 Uiso 1 1 calc R . .
H12B H 0.1662 0.3886 0.4477 0.128 Uiso 1 1 calc R . .
C13 C 0.0813(7) 0.3906(5) 0.4250(9) 0.155(9) Uani 1 1 d D . .
H13A H 0.0454 0.3762 0.4417 0.186 Uiso 1 1 calc R D .
H13B H 0.0924 0.3607 0.3994 0.186 Uiso 1 1 calc R . .
C14 C 0.0627(8) 0.4458(6) 0.3936(6) 0.115(5) Uani 1 1 d D . .
H14A H 0.0782 0.4809 0.4100 0.173 Uiso 1 1 calc R . .
H14B H 0.0200 0.4481 0.3924 0.173 Uiso 1 1 calc R . .
H14C H 0.0780 0.4429 0.3588 0.173 Uiso 1 1 calc R . .
C15 C 0.1615(3) 0.0866(3) 0.3618(3) 0.0325(15) Uani 1 1 d . . .
C16 C 0.1492(3) 0.0768(3) 0.3117(3) 0.0332(16) Uani 1 1 d . D .
C17 C 0.1927(3) 0.0611(3) 0.2747(2) 0.0328(15) Uani 1 1 d . . .
C18 C 0.2502(3) 0.0523(3) 0.2877(3) 0.0438(19) Uani 1 1 d . . .
H18 H 0.2787 0.0424 0.2628 0.053 Uiso 1 1 calc R . .
C19 C 0.2651(3) 0.0588(3) 0.3409(3) 0.0418(17) Uani 1 1 d . . .
C20 C 0.3248(4) 0.0496(4) 0.3575(4) 0.062(2) Uani 1 1 d . . .
H20 H 0.3538 0.0410 0.3327 0.075 Uiso 1 1 calc R . .
C21 C 0.3413(4) 0.0530(6) 0.4100(4) 0.078(3) Uani 1 1 d . . .
C22 C 0.2963(3) 0.0674(4) 0.4464(4) 0.058(2) Uani 1 1 d . . .
H22 H 0.3060 0.0693 0.4816 0.070 Uiso 1 1 calc R . .
C23 C 0.2389(3) 0.0787(3) 0.4315(3) 0.0433(17) Uani 1 1 d . . .
H23 H 0.2110 0.0886 0.4568 0.052 Uiso 1 1 calc R D .
C24 C 0.2210(3) 0.0757(3) 0.3787(3) 0.0367(16) Uani 1 1 d . . .
C25 C 0.4038(5) 0.0438(10) 0.4254(6) 0.138(6) Uani 1 1 d DU A .
C26A C 0.4453(11) 0.0868(19) 0.3929(13) 0.149(8) Uani 0.446(14) 1 d PDU A 1
H26A H 0.4449 0.0720 0.3574 0.179 Uiso 0.446(14) 1 calc PR A 1
H26B H 0.4255 0.1251 0.3922 0.179 Uiso 0.446(14) 1 calc PR A 1
C27A C 0.5111(14) 0.099(3) 0.4064(17) 0.20(2) Uani 0.446(14) 1 d PDU A 1
H27A H 0.5112 0.1313 0.4319 0.236 Uiso 0.446(14) 1 calc PR A 1
H27B H 0.5261 0.0642 0.4241 0.236 Uiso 0.446(14) 1 calc PR A 1
C28A C 0.5578(11) 0.1160(14) 0.3649(13) 0.097(8) Uani 0.446(14) 1 d PDU A 1
H28A H 0.5781 0.0808 0.3535 0.146 Uiso 0.446(14) 1 calc PR A 1
H28B H 0.5860 0.1434 0.3796 0.146 Uiso 0.446(14) 1 calc PR A 1
H28C H 0.5383 0.1344 0.3357 0.146 Uiso 0.446(14) 1 calc PR A 1
C26B C 0.4257(10) 0.0693(15) 0.4759(10) 0.148(8) Uani 0.554(14) 1 d PDU A 2
H26C H 0.4666 0.0579 0.4831 0.178 Uiso 0.554(14) 1 calc PR A 2
H26D H 0.4005 0.0583 0.5050 0.178 Uiso 0.554(14) 1 calc PR A 2
C27B C 0.4203(14) 0.1344(13) 0.4622(14) 0.130(10) Uani 0.554(14) 1 d PDU A 2
H27C H 0.3789 0.1465 0.4620 0.156 Uiso 0.554(14) 1 calc PR A 2
H27D H 0.4372 0.1421 0.4281 0.156 Uiso 0.554(14) 1 calc PR A 2
C28B C 0.4563(16) 0.1694(18) 0.5062(15) 0.153(13) Uani 0.554(14) 1 d PDU A 2
H28D H 0.4761 0.1413 0.5285 0.230 Uiso 0.554(14) 1 calc PR A 2
H28E H 0.4292 0.1930 0.5264 0.230 Uiso 0.554(14) 1 calc PR A 2
H28F H 0.4853 0.1948 0.4901 0.230 Uiso 0.554(14) 1 calc PR A 2
C29 C 0.0000 0.0000 0.4205(4) 0.032(2) Uani 1 2 d S . .
C30 C 0.1067(3) 0.0746(3) 0.2326(3) 0.0385(16) Uani 1 1 d . . .
C31 C 0.0398(3) 0.1555(3) 0.1285(3) 0.0315(14) Uani 1 1 d . . .
H31 H 0.0525 0.1949 0.1273 0.038 Uiso 1 1 calc R . .
C32 C 0.0602(3) 0.1179(3) 0.1643(3) 0.0335(16) Uani 1 1 d . . .
C33 C 0.0436(3) 0.0579(3) 0.1675(3) 0.0356(16) Uani 1 1 d . D .
C34 C 0.0071(3) 0.0330(3) 0.1318(3) 0.0316(15) Uani 1 1 d . . .
C35 C -0.0174(3) 0.0721(3) 0.0931(3) 0.0366(15) Uani 1 1 d . . .
C36 C -0.0606(3) 0.0515(3) 0.0566(3) 0.0402(17) Uani 1 1 d . . .
H36 H -0.0716 0.0116 0.0566 0.048 Uiso 1 1 calc R D .
C37 C -0.0854(3) 0.0890(3) 0.0221(3) 0.0390(16) Uani 1 1 d . . .
H37 H -0.1121 0.0736 -0.0022 0.047 Uiso 1 1 calc R . .
C38 C -0.0729(3) 0.1512(3) 0.0209(3) 0.0399(17) Uani 1 1 d . . .
C39 C -0.0308(3) 0.1712(3) 0.0558(3) 0.0382(16) Uani 1 1 d . . .
H39 H -0.0207 0.2114 0.0557 0.046 Uiso 1 1 calc R . .
C40 C -0.0022(3) 0.1329(3) 0.0918(3) 0.0302(14) Uani 1 1 d . . .
C41 C -0.1048(4) 0.1907(3) -0.0154(4) 0.053(2) Uani 1 1 d . B .
C42A C -0.0745(6) 0.1903(6) -0.0717(5) 0.056(4) Uani 0.624(16) 1 d PU B 1
H42A H -0.0714 0.1496 -0.0841 0.068 Uiso 0.624(16) 1 calc PR B 1
H42B H -0.0992 0.2123 -0.0960 0.068 Uiso 0.624(16) 1 calc PR B 1
C43A C -0.0138(7) 0.2178(8) -0.0696(6) 0.072(5) Uani 0.624(16) 1 d PD B 1
H43A H -0.0173 0.2590 -0.0589 0.086 Uiso 0.624(16) 1 calc PR B 1
H43B H 0.0101 0.1971 -0.0438 0.086 Uiso 0.624(16) 1 calc PR B 1
C44A C 0.0167(10) 0.2149(10) -0.1211(6) 0.095(6) Uani 0.624(16) 1 d PD B 1
H44A H 0.0169 0.1745 -0.1333 0.142 Uiso 0.624(16) 1 calc PR B 1
H44B H 0.0570 0.2287 -0.1174 0.142 Uiso 0.624(16) 1 calc PR B 1
H44C H -0.0040 0.2396 -0.1456 0.142 Uiso 0.624(16) 1 calc PR B 1
C42B C -0.1642(9) 0.2058(9) 0.0159(8) 0.047(6) Uani 0.376(16) 1 d P B 2
H42C H -0.1530 0.2221 0.0496 0.056 Uiso 0.376(16) 1 calc PR B 2
H42D H -0.1854 0.2367 -0.0028 0.056 Uiso 0.376(16) 1 calc PR B 2
C43B C -0.2082(11) 0.1531(8) 0.0255(10) 0.054(6) Uani 0.376(16) 1 d PU B 2
H43C H -0.2151 0.1327 -0.0073 0.065 Uiso 0.376(16) 1 calc PR B 2
H43D H -0.1898 0.1248 0.0491 0.065 Uiso 0.376(16) 1 calc PR B 2
C44B C -0.2668(11) 0.1717(11) 0.0477(11) 0.064(7) Uani 0.376(16) 1 d P B 2
H44D H -0.2602 0.1953 0.0783 0.096 Uiso 0.376(16) 1 calc PR B 2
H44E H -0.2896 0.1371 0.0566 0.096 Uiso 0.376(16) 1 calc PR B 2
H44F H -0.2881 0.1948 0.0223 0.096 Uiso 0.376(16) 1 calc PR B 2
C45 C 0.9770(3) 0.1767(5) 0.3501(4) 0.066(3) Uani 1 1 d . C 2
C46 C 0.9397(4) 0.1245(4) 0.3518(4) 0.054(2) Uani 1 1 d . C 2
C47 C 0.9283(3) 0.1000(3) 0.3006(4) 0.050(2) Uani 1 1 d . C 2
C48 C 0.9576(4) 0.1357(4) 0.2611(4) 0.066(3) Uani 1 1 d . C 2
C49 C 0.9922(4) 0.1879(6) 0.2931(6) 0.092(4) Uani 1 1 d U C 2
C50 C 0.9668(5) 0.2233(5) 0.3831(5) 0.078(3) Uani 1 1 d . C 2
C51 C 0.9216(5) 0.2215(6) 0.4165(4) 0.077(3) Uani 1 1 d . C 2
C52 C 0.8869(5) 0.1770(5) 0.4230(4) 0.075(3) Uani 1 1 d . C 2
C53 C 0.7446(5) 0.2544(5) 0.4053(4) 0.069(3) Uani 1 1 d . C 2
C54 C 0.8934(5) 0.1250(5) 0.3891(4) 0.076(3) Uani 1 1 d . C 2
C55 C 0.8361(5) 0.1015(5) 0.3757(6) 0.085(4) Uani 1 1 d . C 2
C56 C 0.8276(4) 0.0789(3) 0.3267(4) 0.057(2) Uani 1 1 d . C 2
C57 C 0.6882(4) 0.2230(6) 0.3253(5) 0.079(3) Uani 1 1 d . C 2
C58 C 0.8466(4) 0.0913(4) 0.2383(4) 0.057(2) Uani 1 1 d . C 2
C59 C 0.8762(6) 0.1258(5) 0.2018(5) 0.085(3) Uani 1 1 d . C 2
C60 C 0.9332(5) 0.1490(6) 0.2145(5) 0.090(4) Uani 1 1 d . C 2
C61 C 0.9403(6) 0.2122(5) 0.1940(5) 0.080(4) Uani 1 1 d . C 2
C62 C 0.9722(4) 0.2518(8) 0.2251(6) 0.108(6) Uani 1 1 d . C 2
C63 C 0.9959(5) 0.2401(6) 0.2720(8) 0.115(6) Uani 1 1 d . C 2
C64 C 0.9871(4) 0.2905(6) 0.3064(6) 0.084(4) Uani 1 1 d . C 2
C65 C 0.7128(4) 0.2082(7) 0.3737(5) 0.090(4) Uani 1 1 d . C 2
C66 C 0.9267(5) 0.3201(4) 0.3857(6) 0.084(4) Uani 1 1 d . C 2
C67 C 0.8960(6) 0.2840(6) 0.4201(6) 0.095(4) Uani 1 1 d . C 2
C68 C 0.8404(7) 0.2930(4) 0.4255(4) 0.082(4) Uani 1 1 d . C 2
C69 C 0.7976(5) 0.2352(6) 0.4306(4) 0.081(3) Uani 1 1 d . C 2
C70 C 0.8210(6) 0.1857(6) 0.4289(5) 0.080(3) Uani 1 1 d . C 2
C71 C 0.7905(4) 0.1406(4) 0.4016(4) 0.061(3) Uani 1 1 d . C 2
C72 C 0.7390(4) 0.1488(4) 0.3736(4) 0.067(3) Uani 1 1 d . C 2
C73 C 0.7284(4) 0.1280(5) 0.3207(6) 0.083(4) Uani 1 1 d . C 2
C74 C 0.7661(6) 0.0947(5) 0.2982(7) 0.103(5) Uani 1 1 d . C 2
C75 C 0.7834(4) 0.1014(4) 0.2425(4) 0.058(2) Uani 1 1 d . C 2
C76 C 0.7564(6) 0.1450(5) 0.2142(5) 0.079(3) Uani 1 1 d . C 2
C77 C 0.7895(9) 0.1785(7) 0.1794(5) 0.109(5) Uani 1 1 d . C 2
C78 C 0.6970(4) 0.1736(6) 0.2938(6) 0.081(3) Uani 1 1 d . C 2
C79 C 0.8880(6) 0.2279(7) 0.1676(4) 0.093(4) Uani 1 1 d . C 2
C80 C 0.8639(8) 0.2788(9) 0.1695(6) 0.111(5) Uani 1 1 d . C 2
C82 C 0.9446(4) 0.3173(5) 0.2251(4) 0.075(3) Uani 1 1 d . C 2
C83 C 0.9570(5) 0.3362(6) 0.2772(7) 0.100(5) Uani 1 1 d . C 2
C84 C 0.9164(5) 0.3717(5) 0.3014(7) 0.102(5) Uani 1 1 d . C 2
C85 C 0.7104(5) 0.1822(5) 0.2388(7) 0.103(6) Uani 1 1 d . C 2
C86 C 0.7171(5) 0.2417(5) 0.2166(5) 0.077(3) Uani 1 1 d . C 2
C87 C 0.7616(7) 0.2439(6) 0.1826(5) 0.089(4) Uani 1 1 d . C 2
C88 C 0.8369(4) 0.3742(4) 0.3597(4) 0.065(3) Uani 1 1 d . C 2
C89 C 0.8053(5) 0.3365(5) 0.3973(4) 0.072(3) Uani 1 1 d . C 2
C90 C 0.7497(5) 0.3142(4) 0.3847(4) 0.070(3) Uani 1 1 d . C 2
C91 C 0.7251(4) 0.3269(4) 0.3364(4) 0.060(2) Uani 1 1 d . C 2
C92 C 0.6923(3) 0.2781(4) 0.3066(6) 0.087(4) Uani 1 1 d . C 2
C93 C 0.7074(3) 0.2900(4) 0.2489(3) 0.051(2) Uani 1 1 d . C 2
C94 C 0.7454(3) 0.3402(3) 0.2466(3) 0.048(2) Uani 1 1 d . C 2
C95 C 0.7915(4) 0.3407(4) 0.2101(4) 0.063(3) Uani 1 1 d . C 2
C96 C 0.7987(6) 0.2886(7) 0.1775(4) 0.086(4) Uani 1 1 d . C 2
C97 C 0.8948(6) 0.3251(6) 0.1984(6) 0.091(4) Uani 1 1 d . C 2
C98 C 0.8479(5) 0.3628(5) 0.2219(6) 0.083(4) Uani 1 1 d . C 2
C99 C 0.8568(5) 0.3856(4) 0.2703(5) 0.072(3) Uani 1 1 d . C 2
C100 C 0.8130(4) 0.3863(3) 0.3101(4) 0.058(2) Uani 1 1 d . C 2
C101 C 0.7566(3) 0.3632(3) 0.2979(4) 0.052(2) Uani 1 1 d . C 2
C102 C 0.8727(4) 0.0776(3) 0.2881(4) 0.059(2) Uani 1 1 d . C 2
C103 C 0.8451(6) 0.1717(6) 0.1718(4) 0.085(3) Uani 1 1 d . C 2
C104 C 0.9736(5) 0.2821(5) 0.3601(7) 0.102(5) Uani 1 1 d . C 2
C105 C 0.9001(5) 0.3637(4) 0.3552(5) 0.072(3) Uani 1 1 d . C 2
O1 O -0.01972(19) 0.04692(19) 0.45221(18) 0.0333(11) Uani 1 1 d . D 2
O2 O 0.04765(19) 0.02019(19) 0.39000(18) 0.0350(11) Uani 1 1 d . D 2
O3 O 0.09518(19) 0.0815(2) 0.28508(18) 0.0366(11) Uani 1 1 d . D 2
O4 O 0.1673(2) 0.0571(2) 0.22606(19) 0.0407(12) Uani 1 1 d . D 2
O5 O 0.0974(2) 0.1292(2) 0.20642(19) 0.0392(12) Uani 1 1 d . D 2
O6 O 0.0695(2) 0.03182(18) 0.20991(19) 0.0373(11) Uani 1 1 d . D 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0000 '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 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C2 C1 C10 114.7(6) . .
C2 C1 C15 123.8(6) . .
C10 C1 C15 121.4(5) . .
C1 C2 C3 124.9(6) . .
C1 C2 O2 127.3(6) . .
C3 C2 O2 107.8(5) . .
C4 C3 C2 122.7(6) . .
C4 C3 O1 127.6(6) . .
C2 C3 O1 109.7(5) . .
C3 C4 C5 116.4(6) . .
C3 C4 H4 121.8 . .
C5 C4 H4 121.8 . .
C4 C5 C6 120.6(7) . .
C4 C5 C10 121.0(6) . .
C6 C5 C10 118.4(6) . .
C7 C6 C5 123.4(7) . .
C7 C6 H6 118.3 . .
C5 C6 H6 118.3 . .
C6 C7 C8 117.6(6) . .
C6 C7 C11 121.9(8) . .
C8 C7 C11 120.5(7) . .
C9 C8 C7 121.2(7) . .
C9 C8 H8 119.4 . .
C7 C8 H8 119.4 . .
C8 C9 C10 120.9(7) . .
C8 C9 H9 119.5 . .
C10 C9 H9 119.5 . .
C9 C10 C5 118.5(6) . .
C9 C10 C1 121.3(6) . .
C5 C10 C1 120.2(6) . .
C12 C11 C7 117.7(9) . .
C12 C11 H11A 107.9 . .
C7 C11 H11A 107.9 . .
C12 C11 H11B 107.9 . .
C7 C11 H11B 107.9 . .
H11A C11 H11B 107.2 . .
C13 C12 C11 114.8(12) . .
C13 C12 H12A 108.6 . .
C11 C12 H12A 108.6 . .
C13 C12 H12B 108.6 . .
C11 C12 H12B 108.6 . .
H12A C12 H12B 107.5 . .
C12 C13 C14 125.5(13) . .
C12 C13 H13A 105.9 . .
C14 C13 H13A 105.9 . .
C12 C13 H13B 105.9 . .
C14 C13 H13B 105.9 . .
H13A C13 H13B 106.3 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 C24 117.3(6) . .
C16 C15 C1 121.4(6) . .
C24 C15 C1 121.3(6) . .
C15 C16 O3 129.7(6) . .
C15 C16 C17 123.3(6) . .
O3 C16 C17 107.0(6) . .
C18 C17 O4 127.8(6) . .
C18 C17 C16 122.3(6) . .
O4 C17 C16 109.9(5) . .
C17 C18 C19 116.8(7) . .
C17 C18 H18 121.6 . .
C19 C18 H18 121.6 . .
C18 C19 C20 119.8(7) . .
C18 C19 C24 121.1(6) . .
C20 C19 C24 119.1(8) . .
C21 C20 C19 122.0(9) . .
C21 C20 H20 119.0 . .
C19 C20 H20 119.0 . .
C20 C21 C22 117.4(8) . .
C20 C21 C25 120.2(11) . .
C22 C21 C25 122.4(10) . .
C23 C22 C21 122.1(8) . .
C23 C22 H22 119.0 . .
C21 C22 H22 119.0 . .
C22 C23 C24 121.8(7) . .
C22 C23 H23 119.1 . .
C24 C23 H23 119.1 . .
C23 C24 C15 123.3(6) . .
C23 C24 C19 117.6(6) . .
C15 C24 C19 119.1(6) . .
C21 C25 C26B 119.5(15) . .
C21 C25 C26A 109.6(15) . .
C26B C25 C26A 92(2) . .
C27A C26A C25 124(2) . .
C27A C26A H26A 106.3 . .
C25 C26A H26A 106.3 . .
C27A C26A H26B 106.3 . .
C25 C26A H26B 106.3 . .
H26A C26A H26B 106.4 . .
C28A C27A C26A 123(3) . .
C28A C27A H27A 106.7 . .
C26A C27A H27A 106.7 . .
C28A C27A H27B 106.7 . .
C26A C27A H27B 106.7 . .
H27A C27A H27B 106.6 . .
C25 C26B C27B 98(2) . .
C25 C26B H26C 112.1 . .
C27B C26B H26C 112.1 . .
C25 C26B H26D 112.1 . .
C27B C26B H26D 112.1 . .
H26C C26B H26D 109.8 . .
C26B C27B C28B 106(2) . .
C26B C27B H27C 110.6 . .
C28B C27B H27C 110.6 . .
C26B C27B H27D 110.6 . .
C28B C27B H27D 110.6 . .
H27C C27B H27D 108.7 . .
C27B C28B H28D 109.5 . .
C27B C28B H28E 109.5 . .
H28D C28B H28E 109.5 . .
C27B C28B H28F 109.5 . .
H28D C28B H28F 109.5 . .
H28E C28B H28F 109.5 . .
O2 C29 O2 112.0(8) 2 .
O2 C29 O1 108.8(3) 2 2
O2 C29 O1 109.0(3) . 2
O2 C29 O1 109.0(3) 2 .
O2 C29 O1 108.8(3) . .
O1 C29 O1 109.2(8) 2 .
O3 C30 O6 111.7(6) . .
O3 C30 O5 109.8(6) . .
O6 C30 O5 108.0(5) . .
O3 C30 O4 109.0(6) . .
O6 C30 O4 109.4(5) . .
O5 C30 O4 108.9(5) . .
C32 C31 C40 117.3(6) . .
C32 C31 H31 121.4 . .
C40 C31 H31 121.4 . .
C31 C32 O5 129.0(6) . .
C31 C32 C33 124.0(6) . .
O5 C32 C33 106.9(6) . .
C34 C33 O6 128.5(6) . .
C34 C33 C32 121.4(7) . .
O6 C33 C32 110.2(6) . .
C33 C34 C35 116.6(6) . .
C33 C34 C34 122.2(5) . 2
C35 C34 C34 121.2(5) . 2
C40 C35 C36 117.6(6) . .
C40 C35 C34 121.2(6) . .
C36 C35 C34 121.1(6) . .
C37 C36 C35 120.9(6) . .
C37 C36 H36 119.6 . .
C35 C36 H36 119.6 . .
C36 C37 C38 123.1(6) . .
C36 C37 H37 118.5 . .
C38 C37 H37 118.5 . .
C39 C38 C37 116.2(6) . .
C39 C38 C41 123.3(7) . .
C37 C38 C41 120.5(6) . .
C38 C39 C40 122.5(6) . .
C38 C39 H39 118.7 . .
C40 C39 H39 118.7 . .
C35 C40 C39 119.6(6) . .
C35 C40 C31 119.3(6) . .
C39 C40 C31 121.0(6) . .
C38 C41 C42B 102.5(10) . .
C38 C41 C42A 111.2(7) . .
C42B C41 C42A 144.5(10) . .
C43A C42A C41 110.7(11) . .
C43A C42A H42A 109.5 . .
C41 C42A H42A 109.5 . .
C43A C42A H42B 109.5 . .
C41 C42A H42B 109.5 . .
H42A C42A H42B 108.1 . .
C44A C43A C42A 111.7(16) . .
C44A C43A H43A 109.3 . .
C42A C43A H43A 109.3 . .
C44A C43A H43B 109.3 . .
C42A C43A H43B 109.3 . .
H43A C43A H43B 107.9 . .
C43B C42B C41 116.6(16) . .
C43B C42B H42C 108.1 . .
C41 C42B H42C 108.1 . .
C43B C42B H42D 108.1 . .
C41 C42B H42D 108.1 . .
H42C C42B H42D 107.3 . .
C44B C43B C42B 113.8(17) . .
C44B C43B H43C 108.8 . .
C42B C43B H43C 108.8 . .
C44B C43B H43D 108.8 . .
C42B C43B H43D 108.8 . .
H43C C43B H43D 107.7 . .
C43B C44B H44D 109.5 . .
C43B C44B H44E 109.5 . .
H44D C44B H44E 109.5 . .
C43B C44B H44F 109.5 . .
H44D C44B H44F 109.5 . .
H44E C44B H44F 109.5 . .
C50 C45 C46 120.5(9) . .
C50 C45 C49 120.4(10) . .
C46 C45 C49 107.0(10) . .
C54 C46 C45 116.2(9) . .
C54 C46 C47 119.2(9) . .
C45 C46 C47 112.7(8) . .
C102 C47 C46 120.5(8) . .
C102 C47 C48 116.7(8) . .
C46 C47 C48 110.1(8) . .
C60 C48 C47 123.9(10) . .
C60 C48 C49 118.9(10) . .
C47 C48 C49 105.2(9) . .
C63 C49 C45 124.5(15) . .
C63 C49 C48 118.1(15) . .
C45 C49 C48 105.0(8) . .
C51 C50 C45 120.3(11) . .
C51 C50 C104 111.7(12) . .
C45 C50 C104 115.4(13) . .
C52 C51 C50 125.1(12) . .
C52 C51 C67 118.8(11) . .
C50 C51 C67 107.5(12) . .
C51 C52 C54 119.0(10) . .
C51 C52 C70 120.9(10) . .
C54 C52 C70 105.3(11) . .
C69 C53 C90 112.3(10) . .
C69 C53 C65 115.9(10) . .
C90 C53 C65 118.9(10) . .
C46 C54 C55 119.7(11) . .
C46 C54 C52 118.8(10) . .
C55 C54 C52 110.2(9) . .
C56 C55 C54 118.8(10) . .
C56 C55 C71 121.9(10) . .
C54 C55 C71 106.9(12) . .
C55 C56 C102 123.3(9) . .
C55 C56 C74 117.2(10) . .
C102 C56 C74 107.5(10) . .
C92 C57 C78 121.5(12) . .
C92 C57 C65 121.0(13) . .
C78 C57 C65 105.8(11) . .
C59 C58 C102 121.6(9) . .
C59 C58 C75 115.8(9) . .
C102 C58 C75 111.7(8) . .
C58 C59 C60 119.0(11) . .
C58 C59 C103 121.3(11) . .
C60 C59 C103 107.0(12) . .
C48 C60 C59 119.2(12) . .
C48 C60 C61 117.9(13) . .
C59 C60 C61 111.0(10) . .
C62 C61 C79 123.2(11) . .
C62 C61 C60 116.9(12) . .
C79 C61 C60 108.3(12) . .
C63 C62 C61 126.4(15) . .
C63 C62 C82 109.5(16) . .
C61 C62 C82 112.9(9) . .
C49 C63 C62 121.8(19) . .
C49 C63 C64 116.4(17) . .
C62 C63 C64 109.7(12) . .
C104 C64 C83 119.9(13) . .
C104 C64 C63 120.9(11) . .
C83 C64 C63 107.8(13) . .
C57 C65 C72 112.0(12) . .
C57 C65 C53 120.3(11) . .
C72 C65 C53 116.2(9) . .
C67 C66 C105 124.0(11) . .
C67 C66 C104 107.2(10) . .
C105 C66 C104 117.0(14) . .
C68 C67 C66 117.7(12) . .
C68 C67 C51 121.7(13) . .
C66 C67 C51 108.2(12) . .
C67 C68 C89 126.0(13) . .
C67 C68 C69 117.5(10) . .
C89 C68 C69 105.0(10) . .
C70 C69 C53 127.9(12) . .
C70 C69 C68 118.0(11) . .
C53 C69 C68 102.5(10) . .
C69 C70 C71 117.4(11) . .
C69 C70 C52 122.8(12) . .
C71 C70 C52 109.6(10) . .
C72 C71 C70 124.9(9) . .
C72 C71 C55 114.8(11) . .
C70 C71 C55 108.0(10) . .
C71 C72 C73 125.7(9) . .
C71 C72 C65 117.5(10) . .
C73 C72 C65 103.3(9) . .
C74 C73 C78 122.3(15) . .
C74 C73 C72 120.3(12) . .
C78 C73 C72 107.6(11) . .
C73 C74 C75 123.4(13) . .
C73 C74 C56 119.8(14) . .
C75 C74 C56 103.6(9) . .
C76 C75 C58 120.8(10) . .
C76 C75 C74 118.0(10) . .
C58 C75 C74 108.2(8) . .
C75 C76 C77 119.7(12) . .
C75 C76 C85 119.4(14) . .
C77 C76 C85 110.2(12) . .
C103 C77 C76 124.1(14) . .
C103 C77 C87 120.1(17) . .
C76 C77 C87 104.9(14) . .
C57 C78 C73 111.3(12) . .
C57 C78 C85 119.2(11) . .
C73 C78 C85 117.6(11) . .
C80 C79 C61 124.5(17) . .
C80 C79 C103 117.0(13) . .
C61 C79 C103 106.0(10) . .
C79 C80 C97 117.5(15) . .
C79 C80 C96 123.9(18) . .
C97 C80 C96 107.0(13) . .
C97 C82 C83 127.5(12) . .
C97 C82 C62 116.7(13) . .
C83 C82 C62 101.5(10) . .
C84 C83 C82 118.0(12) . .
C84 C83 C64 119.7(16) . .
C82 C83 C64 111.5(13) . .
C83 C84 C105 122.2(13) . .
C83 C84 C99 116.8(15) . .
C105 C84 C99 107.0(9) . .
C78 C85 C86 121.4(11) . .
C78 C85 C76 119.1(11) . .
C86 C85 C76 106.3(15) . .
C87 C86 C93 118.9(12) . .
C87 C86 C85 111.5(11) . .
C93 C86 C85 117.9(13) . .
C96 C87 C86 125.0(12) . .
C96 C87 C77 116.8(14) . .
C86 C87 C77 107.1(14) . .
C100 C88 C105 109.5(10) . .
C100 C88 C89 121.5(9) . .
C105 C88 C89 115.7(9) . .
C90 C89 C68 111.3(10) . .
C90 C89 C88 119.5(10) . .
C68 C89 C88 117.0(10) . .
C89 C90 C91 119.6(10) . .
C89 C90 C53 108.8(10) . .
C91 C90 C53 119.0(10) . .
C90 C91 C101 121.7(9) . .
C90 C91 C92 119.5(9) . .
C101 C91 C92 107.2(8) . .
C57 C92 C91 121.3(12) . .
C57 C92 C93 121.6(11) . .
C91 C92 C93 104.4(7) . .
C86 C93 C94 120.4(9) . .
C86 C93 C92 118.3(9) . .
C94 C93 C92 108.2(8) . .
C95 C94 C93 118.8(8) . .
C95 C94 C101 118.8(8) . .
C93 C94 C101 110.7(7) . .
C98 C95 C94 122.0(11) . .
C98 C95 C96 108.2(10) . .
C94 C95 C96 117.7(10) . .
C87 C96 C95 119.3(11) . .
C87 C96 C80 121.5(13) . .
C95 C96 C80 108.0(15) . .
C82 C97 C80 125.0(12) . .
C82 C97 C98 117.9(15) . .
C80 C97 C98 106.1(11) . .
C99 C98 C95 117.9(11) . .
C99 C98 C97 118.9(11) . .
C95 C98 C97 110.8(13) . .
C98 C99 C100 124.1(10) . .
C98 C99 C84 120.7(10) . .
C100 C99 C84 103.0(11) . .
C101 C100 C88 118.3(9) . .
C101 C100 C99 117.4(9) . .
C88 C100 C99 112.6(9) . .
C100 C101 C94 119.7(8) . .
C100 C101 C91 119.4(8) . .
C94 C101 C91 109.5(7) . .
C47 C102 C56 118.5(9) . .
C47 C102 C58 119.7(8) . .
C56 C102 C58 109.0(8) . .
C77 C103 C59 118.1(14) . .
C77 C103 C79 120.6(12) . .
C59 C103 C79 107.7(11) . .
C64 C104 C50 122.4(14) . .
C64 C104 C66 119.7(10) . .
C50 C104 C66 105.3(14) . .
C66 C105 C84 121.4(12) . .
C66 C105 C88 119.6(11) . .
C84 C105 C88 107.8(10) . .
C3 O1 C29 106.2(4) . .
C29 O2 C2 105.9(5) . .
C30 O3 C16 107.8(5) . .
C17 O4 C30 105.8(5) . .
C32 O5 C30 107.5(5) . .
C33 O6 C30 107.0(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.332(10) .
C1 C10 1.454(10) .
C1 C15 1.533(10) .
C2 C3 1.379(10) .
C2 O2 1.415(8) .
C3 C4 1.365(10) .
C3 O1 1.384(8) .
C4 C5 1.394(10) .
C4 H4 0.9300 .
C5 C6 1.410(10) .
C5 C10 1.429(10) .
C6 C7 1.387(11) .
C6 H6 0.9300 .
C7 C8 1.414(12) .
C7 C11 1.485(11) .
C8 C9 1.395(11) .
C8 H8 0.9300 .
C9 C10 1.419(10) .
C9 H9 0.9300 .
C11 C12 1.475(14) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.461(17) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.537(15) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.335(10) .
C15 C24 1.427(10) .
C16 O3 1.396(8) .
C16 C17 1.406(10) .
C17 C18 1.350(10) .
C17 O4 1.375(9) .
C18 C19 1.413(13) .
C18 H18 0.9300 .
C19 C20 1.421(12) .
C19 C24 1.438(11) .
C20 C21 1.399(16) .
C20 H20 0.9300 .
C21 C22 1.414(15) .
C21 C25 1.473(15) .
C22 C23 1.366(11) .
C22 H22 0.9300 .
C23 C24 1.414(11) .
C23 H23 0.9300 .
C25 C26B 1.50(2) .
C25 C26A 1.58(2) .
C26A C27A 1.54(2) .
C26A H26A 0.9700 .
C26A H26B 0.9700 .
C27A C28A 1.54(2) .
C27A H27A 0.9700 .
C27A H27B 0.9700 .
C28A H28A 0.9600 .
C28A H28B 0.9600 .
C28A H28C 0.9600 .
C26B C27B 1.51(2) .
C26B H26C 0.9700 .
C26B H26D 0.9700 .
C27B C28B 1.59(2) .
C27B H27C 0.9700 .
C27B H27D 0.9700 .
C28B H28D 0.9600 .
C28B H28E 0.9600 .
C28B H28F 0.9600 .
C29 O2 1.402(7) 2
C29 O2 1.402(7) .
C29 O1 1.403(7) 2
C29 O1 1.403(7) .
C30 O3 1.380(10) .
C30 O6 1.400(9) .
C30 O5 1.414(9) .
C30 O4 1.424(9) .
C31 C32 1.329(10) .
C31 C40 1.425(9) .
C31 H31 0.9300 .
C32 O5 1.390(8) .
C32 C33 1.402(10) .
C33 C34 1.350(10) .
C33 O6 1.367(9) .
C34 C35 1.435(10) .
C34 C34 1.514(13) 2
C35 C40 1.409(9) .
C35 C36 1.426(10) .
C36 C37 1.343(11) .
C36 H36 0.9300 .
C37 C38 1.426(11) .
C37 H37 0.9300 .
C38 C39 1.378(10) .
C38 C41 1.473(11) .
C39 C40 1.415(10) .
C39 H39 0.9300 .
C41 C42B 1.60(2) .
C41 C42A 1.595(17) .
C42A C43A 1.50(2) .
C42A H42A 0.9700 .
C42A H42B 0.9700 .
C43A C44A 1.489(18) .
C43A H43A 0.9700 .
C43A H43B 0.9700 .
C44A H44A 0.9600 .
C44A H44B 0.9600 .
C44A H44C 0.9600 .
C42B C43B 1.56(3) .
C42B H42C 0.9700 .
C42B H42D 0.9700 .
C43B C44B 1.49(4) .
C43B H43C 0.9700 .
C43B H43D 0.9700 .
C44B H44D 0.9600 .
C44B H44E 0.9600 .
C44B H44F 0.9600 .
C45 C50 1.364(16) .
C45 C46 1.442(13) .
C45 C49 1.523(18) .
C46 C54 1.413(14) .
C46 C47 1.446(13) .
C47 C102 1.385(13) .
C47 C48 1.450(13) .
C48 C60 1.350(15) .
C48 C49 1.628(19) .
C49 C63 1.294(16) .
C50 C51 1.329(17) .
C50 C104 1.453(17) .
C51 C52 1.279(17) .
C51 C67 1.521(19) .
C52 C54 1.465(17) .
C52 C70 1.500(17) .
C53 C69 1.423(17) .
C53 C90 1.447(15) .
C53 C65 1.497(19) .
C54 C55 1.433(18) .
C55 C56 1.369(18) .
C55 C71 1.504(16) .
C56 C102 1.417(14) .
C56 C74 1.603(18) .
C57 C92 1.331(15) .
C57 C78 1.386(17) .
C57 C65 1.398(16) .
C58 C59 1.386(16) .
C58 C102 1.438(14) .
C58 C75 1.441(13) .
C59 C60 1.419(19) .
C59 C103 1.466(19) .
C60 C61 1.522(17) .
C61 C62 1.39(2) .
C61 C79 1.401(19) .
C62 C63 1.34(2) .
C62 C82 1.60(2) .
C63 C64 1.45(2) .
C64 C104 1.42(2) .
C64 C83 1.439(18) .
C65 C72 1.459(17) .
C66 C67 1.38(2) .
C66 C105 1.388(15) .
C66 C104 1.51(2) .
C67 C68 1.271(18) .
C68 C89 1.447(16) .
C68 C69 1.621(19) .
C69 C70 1.230(17) .
C70 C71 1.409(17) .
C71 C72 1.376(15) .
C72 C73 1.454(18) .
C73 C74 1.270(18) .
C73 C78 1.421(17) .
C74 C75 1.49(2) .
C75 C76 1.362(14) .
C76 C77 1.38(2) .
C76 C85 1.471(19) .
C77 C103 1.27(2) .
C77 C87 1.60(2) .
C78 C85 1.46(2) .
C79 C80 1.27(2) .
C79 C103 1.59(2) .
C80 C97 1.45(2) .
C80 C96 1.49(2) .
C82 C97 1.324(18) .
C82 C83 1.43(2) .
C83 C84 1.36(2) .
C84 C105 1.44(2) .
C84 C99 1.588(19) .
C85 C86 1.461(19) .
C86 C87 1.33(2) .
C86 C93 1.383(14) .
C87 C96 1.31(2) .
C88 C100 1.409(15) .
C88 C105 1.444(15) .
C88 C89 1.467(16) .
C89 C90 1.384(16) .
C90 C91 1.388(15) .
C91 C101 1.463(14) .
C91 C92 1.527(16) .
C92 C93 1.541(18) .
C93 C94 1.415(12) .
C94 C95 1.397(13) .
C94 C101 1.435(13) .
C95 C98 1.393(16) .
C95 C96 1.447(18) .
C97 C98 1.480(18) .
C98 C99 1.357(18) .
C99 C100 1.419(15) .
C100 C101 1.405(12) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C10 C1 C2 C3 -4.6(9) . .
C15 C1 C2 C3 174.5(6) . .
C10 C1 C2 O2 177.3(6) . .
C15 C1 C2 O2 -3.6(10) . .
C1 C2 C3 C4 3.1(10) . .
O2 C2 C3 C4 -178.5(6) . .
C1 C2 C3 O1 -178.1(6) . .
O2 C2 C3 O1 0.4(7) . .
C2 C3 C4 C5 1.3(9) . .
O1 C3 C4 C5 -177.3(6) . .
C3 C4 C5 C6 174.7(6) . .
C3 C4 C5 C10 -3.6(9) . .
C4 C5 C6 C7 -179.7(6) . .
C10 C5 C6 C7 -1.3(10) . .
C5 C6 C7 C8 -0.1(10) . .
C5 C6 C7 C11 176.8(7) . .
C6 C7 C8 C9 0.6(11) . .
C11 C7 C8 C9 -176.5(8) . .
C7 C8 C9 C10 0.5(11) . .
C8 C9 C10 C5 -1.9(10) . .
C8 C9 C10 C1 176.8(7) . .
C4 C5 C10 C9 -179.4(6) . .
C6 C5 C10 C9 2.2(9) . .
C4 C5 C10 C1 2.0(9) . .
C6 C5 C10 C1 -176.4(6) . .
C2 C1 C10 C9 -176.5(6) . .
C15 C1 C10 C9 4.3(9) . .
C2 C1 C10 C5 2.1(9) . .
C15 C1 C10 C5 -177.1(6) . .
C6 C7 C11 C12 -123.8(11) . .
C8 C7 C11 C12 53.0(13) . .
C7 C11 C12 C13 54.3(17) . .
C11 C12 C13 C14 161.1(16) . .
C2 C1 C15 C16 62.1(9) . .
C10 C1 C15 C16 -118.8(7) . .
C2 C1 C15 C24 -116.2(7) . .
C10 C1 C15 C24 62.9(8) . .
C24 C15 C16 O3 177.4(6) . .
C1 C15 C16 O3 -0.9(10) . .
C24 C15 C16 C17 -5.3(10) . .
C1 C15 C16 C17 176.3(6) . .
C15 C16 C17 C18 2.9(10) . .
O3 C16 C17 C18 -179.2(6) . .
C15 C16 C17 O4 -176.7(6) . .
O3 C16 C17 O4 1.1(7) . .
O4 C17 C18 C19 -179.6(6) . .
C16 C17 C18 C19 0.8(9) . .
C17 C18 C19 C20 179.3(7) . .
C17 C18 C19 C24 -1.7(10) . .
C18 C19 C20 C21 -177.2(9) . .
C24 C19 C20 C21 3.9(13) . .
C19 C20 C21 C22 -1.4(16) . .
C19 C20 C21 C25 -179.2(12) . .
C20 C21 C22 C23 -1.1(16) . .
C25 C21 C22 C23 176.7(13) . .
C21 C22 C23 C24 1.0(14) . .
C22 C23 C24 C15 179.4(7) . .
C22 C23 C24 C19 1.5(11) . .
C16 C15 C24 C23 -173.7(7) . .
C1 C15 C24 C23 4.7(9) . .
C16 C15 C24 C19 4.1(9) . .
C1 C15 C24 C19 -177.5(6) . .
C18 C19 C24 C23 177.3(6) . .
C20 C19 C24 C23 -3.8(10) . .
C18 C19 C24 C15 -0.7(9) . .
C20 C19 C24 C15 178.2(7) . .
C20 C21 C25 C26B 157(2) . .
C22 C21 C25 C26B -21(3) . .
C20 C21 C25 C26A 53(2) . .
C22 C21 C25 C26A -125(2) . .
C21 C25 C26A C27A 166(4) . .
C26B C25 C26A C27A 44(5) . .
C25 C26A C27A C28A 151(4) . .
C21 C25 C26B C27B -66(2) . .
C26A C25 C26B C27B 47(2) . .
C25 C26B C27B C28B -167(2) . .
C40 C31 C32 O5 -174.6(6) . .
C40 C31 C32 C33 1.0(10) . .
C31 C32 C33 C34 3.5(10) . .
O5 C32 C33 C34 180.0(6) . .
C31 C32 C33 O6 -176.8(6) . .
O5 C32 C33 O6 -0.3(7) . .
O6 C33 C34 C35 175.4(6) . .
C32 C33 C34 C35 -4.9(9) . .
O6 C33 C34 C34 -5.1(11) . 2
C32 C33 C34 C34 174.5(6) . 2
C33 C34 C35 C40 2.2(9) . .
C34 C34 C35 C40 -177.3(6) 2 .
C33 C34 C35 C36 -174.3(6) . .
C34 C34 C35 C36 6.3(10) 2 .
C40 C35 C36 C37 0.3(10) . .
C34 C35 C36 C37 176.8(7) . .
C35 C36 C37 C38 -2.7(11) . .
C36 C37 C38 C39 3.2(10) . .
C36 C37 C38 C41 -175.6(8) . .
C37 C38 C39 C40 -1.3(10) . .
C41 C38 C39 C40 177.5(7) . .
C36 C35 C40 C39 1.5(9) . .
C34 C35 C40 C39 -175.0(6) . .
C36 C35 C40 C31 178.7(6) . .
C34 C35 C40 C31 2.1(9) . .
C38 C39 C40 C35 -1.0(10) . .
C38 C39 C40 C31 -178.1(6) . .
C32 C31 C40 C35 -3.7(9) . .
C32 C31 C40 C39 173.5(6) . .
C39 C38 C41 C42B -94.1(11) . .
C37 C38 C41 C42B 84.6(11) . .
C39 C38 C41 C42A 97.4(10) . .
C37 C38 C41 C42A -83.9(10) . .
C38 C41 C42A C43A -66.7(12) . .
C42B C41 C42A C43A 132.8(18) . .
C41 C42A C43A C44A 176.9(13) . .
C38 C41 C42B C43B -66.7(17) . .
C42A C41 C42B C43B 95(2) . .
C41 C42B C43B C44B -171.1(18) . .
C50 C45 C46 C54 -0.4(11) . .
C49 C45 C46 C54 -143.0(8) . .
C50 C45 C46 C47 142.3(8) . .
C49 C45 C46 C47 -0.3(8) . .
C54 C46 C47 C102 0.5(11) . .
C45 C46 C47 C102 -141.0(7) . .
C54 C46 C47 C48 140.8(7) . .
C45 C46 C47 C48 -0.6(8) . .
C102 C47 C48 C60 1.6(13) . .
C46 C47 C48 C60 -140.4(9) . .
C102 C47 C48 C49 143.3(7) . .
C46 C47 C48 C49 1.3(8) . .
C50 C45 C49 C63 -0.8(15) . .
C46 C45 C49 C63 141.9(11) . .
C50 C45 C49 C48 -141.6(8) . .
C46 C45 C49 C48 1.1(8) . .
C60 C48 C49 C63 -1.3(13) . .
C47 C48 C49 C63 -145.3(9) . .
C60 C48 C49 C45 142.6(8) . .
C47 C48 C49 C45 -1.4(8) . .
C46 C45 C50 C51 -1.2(13) . .
C49 C45 C50 C51 136.5(10) . .
C46 C45 C50 C104 -139.7(9) . .
C49 C45 C50 C104 -2.0(12) . .
C45 C50 C51 C52 4.0(15) . .
C104 C50 C51 C52 143.9(11) . .
C45 C50 C51 C67 -143.1(10) . .
C104 C50 C51 C67 -3.1(13) . .
C50 C51 C52 C54 -4.7(15) . .
C67 C51 C52 C54 139.0(10) . .
C50 C51 C52 C70 -137.8(11) . .
C67 C51 C52 C70 6.0(16) . .
C45 C46 C54 C55 139.9(9) . .
C47 C46 C54 C55 -0.3(11) . .
C45 C46 C54 C52 -0.4(11) . .
C47 C46 C54 C52 -140.5(8) . .
C51 C52 C54 C46 2.8(13) . .
C70 C52 C54 C46 142.2(9) . .
C51 C52 C54 C55 -140.9(10) . .
C70 C52 C54 C55 -1.5(10) . .
C46 C54 C55 C56 0.1(12) . .
C52 C54 C55 C56 143.5(9) . .
C46 C54 C55 C71 -142.6(8) . .
C52 C54 C55 C71 0.7(11) . .
C54 C55 C56 C102 -0.2(13) . .
C71 C55 C56 C102 136.8(9) . .
C54 C55 C56 C74 -138.3(9) . .
C71 C55 C56 C74 -1.2(12) . .
C102 C58 C59 C60 -1.3(13) . .
C75 C58 C59 C60 139.9(10) . .
C102 C58 C59 C103 -137.9(10) . .
C75 C58 C59 C103 3.3(14) . .
C47 C48 C60 C59 -1.8(15) . .
C49 C48 C60 C59 -138.7(10) . .
C47 C48 C60 C61 137.7(10) . .
C49 C48 C60 C61 0.8(12) . .
C58 C59 C60 C48 1.6(15) . .
C103 C59 C60 C48 143.7(10) . .
C58 C59 C60 C61 -140.5(10) . .
C103 C59 C60 C61 1.6(12) . .
C48 C60 C61 C62 0.6(13) . .
C59 C60 C61 C62 143.2(10) . .
C48 C60 C61 C79 -144.0(10) . .
C59 C60 C61 C79 -1.3(13) . .
C79 C61 C62 C63 136.9(13) . .
C60 C61 C62 C63 -1.9(17) . .
C79 C61 C62 C82 -2.7(14) . .
C60 C61 C62 C82 -141.6(8) . .
C45 C49 C63 C62 -136.2(14) . .
C48 C49 C63 C62 0.1(16) . .
C45 C49 C63 C64 2.6(17) . .
C48 C49 C63 C64 138.8(12) . .
C61 C62 C63 C49 2(2) . .
C82 C62 C63 C49 142.3(12) . .
C61 C62 C63 C64 -139.6(13) . .
C82 C62 C63 C64 1.2(12) . .
C49 C63 C64 C104 -1.6(16) . .
C62 C63 C64 C104 141.9(10) . .
C49 C63 C64 C83 -144.9(10) . .
C62 C63 C64 C83 -1.4(12) . .
C92 C57 C65 C72 -142.4(10) . .
C78 C57 C65 C72 1.1(11) . .
C92 C57 C65 C53 -0.4(15) . .
C78 C57 C65 C53 143.1(10) . .
C69 C53 C65 C57 -139.0(10) . .
C90 C53 C65 C57 -0.3(13) . .
C69 C53 C65 C72 1.4(12) . .
C90 C53 C65 C72 140.1(9) . .
C105 C66 C67 C68 -2.8(18) . .
C104 C66 C67 C68 -144.2(11) . .
C105 C66 C67 C51 140.2(11) . .
C104 C66 C67 C51 -1.3(12) . .
C52 C51 C67 C68 -5.5(19) . .
C50 C51 C67 C68 144.0(13) . .
C52 C51 C67 C66 -146.7(11) . .
C50 C51 C67 C66 2.8(13) . .
C66 C67 C68 C89 2.4(18) . .
C51 C67 C68 C89 -135.3(12) . .
C66 C67 C68 C69 140.0(11) . .
C51 C67 C68 C69 2.3(18) . .
C90 C53 C69 C70 -140.0(12) . .
C65 C53 C69 C70 1.3(16) . .
C90 C53 C69 C68 1.5(11) . .
C65 C53 C69 C68 142.8(8) . .
C67 C68 C69 C70 -0.1(15) . .
C89 C68 C69 C70 145.6(11) . .
C67 C68 C69 C53 -146.3(11) . .
C89 C68 C69 C53 -0.7(10) . .
C53 C69 C70 C71 -4.4(17) . .
C68 C69 C70 C71 -140.9(10) . .
C53 C69 C70 C52 137.1(12) . .
C68 C69 C70 C52 0.6(15) . .
C51 C52 C70 C69 -3.8(17) . .
C54 C52 C70 C69 -142.3(11) . .
C51 C52 C70 C71 140.2(10) . .
C54 C52 C70 C71 1.7(11) . .
C69 C70 C71 C72 5.0(16) . .
C52 C70 C71 C72 -141.2(9) . .
C69 C70 C71 C55 144.9(10) . .
C52 C70 C71 C55 -1.3(11) . .
C56 C55 C71 C72 3.4(12) . .
C54 C55 C71 C72 144.8(9) . .
C56 C55 C71 C70 -141.0(10) . .
C54 C55 C71 C70 0.4(11) . .
C70 C71 C72 C73 131.4(11) . .
C55 C71 C72 C73 -6.2(13) . .
C70 C71 C72 C65 -2.4(13) . .
C55 C71 C72 C65 -140.0(8) . .
C57 C65 C72 C71 142.9(9) . .
C53 C65 C72 C71 -0.8(12) . .
C57 C65 C72 C73 -0.1(11) . .
C53 C65 C72 C73 -143.7(8) . .
C71 C72 C73 C74 6.9(16) . .
C65 C72 C73 C74 145.7(11) . .
C71 C72 C73 C78 -139.8(10) . .
C65 C72 C73 C78 -1.0(10) . .
C78 C73 C74 C75 3.0(18) . .
C72 C73 C74 C75 -138.7(12) . .
C78 C73 C74 C56 137.7(11) . .
C72 C73 C74 C56 -4.0(16) . .
C55 C56 C74 C73 1.6(14) . .
C102 C56 C74 C73 -142.5(11) . .
C55 C56 C74 C75 144.0(8) . .
C102 C56 C74 C75 -0.1(9) . .
C59 C58 C75 C76 -3.9(12) . .
C102 C58 C75 C76 141.0(9) . .
C59 C58 C75 C74 -144.4(9) . .
C102 C58 C75 C74 0.5(10) . .
C73 C74 C75 C76 -1.3(16) . .
C56 C74 C75 C76 -142.0(9) . .
C73 C74 C75 C58 140.4(11) . .
C56 C74 C75 C58 -0.2(10) . .
C58 C75 C76 C77 2.6(14) . .
C74 C75 C76 C77 139.3(11) . .
C58 C75 C76 C85 -138.6(10) . .
C74 C75 C76 C85 -1.8(14) . .
C75 C76 C77 C103 -0.3(19) . .
C85 C76 C77 C103 144.1(13) . .
C75 C76 C77 C87 -144.1(10) . .
C85 C76 C77 C87 0.2(13) . .
C92 C57 C78 C73 141.4(11) . .
C65 C57 C78 C73 -1.7(12) . .
C92 C57 C78 C85 -0.5(15) . .
C65 C57 C78 C85 -143.7(9) . .
C74 C73 C78 C57 -144.1(12) . .
C72 C73 C78 C57 1.8(12) . .
C74 C73 C78 C85 -1.5(16) . .
C72 C73 C78 C85 144.4(9) . .
C62 C61 C79 C80 -1.0(18) . .
C60 C61 C79 C80 140.8(13) . .
C62 C61 C79 C103 -141.3(10) . .
C60 C61 C79 C103 0.5(12) . .
C61 C79 C80 C97 4.2(18) . .
C103 C79 C80 C97 140.7(13) . .
C61 C79 C80 C96 -134.1(16) . .
C103 C79 C80 C96 2.4(19) . .
C63 C62 C82 C97 -143.4(10) . .
C61 C62 C82 C97 3.0(13) . .
C63 C62 C82 C83 -0.5(11) . .
C61 C62 C82 C83 145.9(9) . .
C97 C82 C83 C84 -7.5(18) . .
C62 C82 C83 C84 -144.7(10) . .
C97 C82 C83 C64 136.8(12) . .
C62 C82 C83 C64 -0.4(11) . .
C104 C64 C83 C84 1.0(17) . .
C63 C64 C83 C84 144.7(12) . .
C104 C64 C83 C82 -142.6(10) . .
C63 C64 C83 C82 1.1(12) . .
C82 C83 C84 C105 138.5(12) . .
C64 C83 C84 C105 -2.8(18) . .
C82 C83 C84 C99 3.6(14) . .
C64 C83 C84 C99 -137.7(11) . .
C57 C78 C85 C86 2.3(15) . .
C73 C78 C85 C86 -137.4(10) . .
C57 C78 C85 C76 138.1(10) . .
C73 C78 C85 C76 -1.6(14) . .
C75 C76 C85 C78 3.1(15) . .
C77 C76 C85 C78 -141.4(11) . .
C75 C76 C85 C86 144.8(11) . .
C77 C76 C85 C86 0.3(13) . .
C78 C85 C86 C87 139.7(11) . .
C76 C85 C86 C87 -0.9(13) . .
C78 C85 C86 C93 -2.9(14) . .
C76 C85 C86 C93 -143.5(10) . .
C93 C86 C87 C96 1.0(16) . .
C85 C86 C87 C96 -141.2(11) . .
C93 C86 C87 C77 143.2(10) . .
C85 C86 C87 C77 1.0(13) . .
C103 C77 C87 C96 -0.6(18) . .
C76 C77 C87 C96 145.0(12) . .
C103 C77 C87 C86 -146.4(13) . .
C76 C77 C87 C86 -0.8(13) . .
C67 C68 C89 C90 141.4(12) . .
C69 C68 C89 C90 -0.4(11) . .
C67 C68 C89 C88 -1.0(15) . .
C69 C68 C89 C88 -142.8(9) . .
C100 C88 C89 C90 -2.7(13) . .
C105 C88 C89 C90 -139.4(10) . .
C100 C88 C89 C68 136.6(9) . .
C105 C88 C89 C68 -0.2(13) . .
C68 C89 C90 C91 -140.2(9) . .
C88 C89 C90 C91 1.1(13) . .
C68 C89 C90 C53 1.4(12) . .
C88 C89 C90 C53 142.7(9) . .
C69 C53 C90 C89 -1.9(12) . .
C65 C53 C90 C89 -141.9(9) . .
C69 C53 C90 C91 139.9(10) . .
C65 C53 C90 C91 -0.1(13) . .
C89 C90 C91 C101 0.4(12) . .
C53 C90 C91 C101 -137.3(9) . .
C89 C90 C91 C92 138.9(9) . .
C53 C90 C91 C92 1.2(13) . .
C78 C57 C92 C91 -136.2(11) . .
C65 C57 C92 C91 1.5(15) . .
C78 C57 C92 C93 -0.5(14) . .
C65 C57 C92 C93 137.2(11) . .
C90 C91 C92 C57 -2.0(13) . .
C101 C91 C92 C57 141.9(9) . .
C90 C91 C92 C93 -144.1(8) . .
C101 C91 C92 C93 -0.3(8) . .
C87 C86 C93 C94 -1.5(13) . .
C85 C86 C93 C94 138.4(9) . .
C87 C86 C93 C92 -138.0(10) . .
C85 C86 C93 C92 1.8(12) . .
C57 C92 C93 C86 -0.2(13) . .
C91 C92 C93 C86 141.8(8) . .
C57 C92 C93 C94 -141.5(9) . .
C91 C92 C93 C94 0.5(8) . .
C86 C93 C94 C95 1.9(11) . .
C92 C93 C94 C95 142.3(7) . .
C86 C93 C94 C101 -140.9(8) . .
C92 C93 C94 C101 -0.5(8) . .
C93 C94 C95 C98 -139.7(8) . .
C101 C94 C95 C98 0.0(11) . .
C93 C94 C95 C96 -1.7(11) . .
C101 C94 C95 C96 138.0(8) . .
C86 C87 C96 C95 -0.9(16) . .
C77 C87 C96 C95 -139.9(10) . .
C86 C87 C96 C80 138.5(12) . .
C77 C87 C96 C80 -0.5(17) . .
C98 C95 C96 C87 144.5(10) . .
C94 C95 C96 C87 1.2(13) . .
C98 C95 C96 C80 0.2(11) . .
C94 C95 C96 C80 -143.1(9) . .
C79 C80 C96 C87 -1(2) . .
C97 C80 C96 C87 -142.5(13) . .
C79 C80 C96 C95 142.8(14) . .
C97 C80 C96 C95 0.9(12) . .
C83 C82 C97 C80 -131.8(15) . .
C62 C82 C97 C80 -0.0(16) . .
C83 C82 C97 C98 6.9(18) . .
C62 C82 C97 C98 138.7(10) . .
C79 C80 C97 C82 -3.7(19) . .
C96 C80 C97 C82 141.1(10) . .
C79 C80 C97 C98 -146.3(11) . .
C96 C80 C97 C98 -1.5(12) . .
C94 C95 C98 C99 -1.6(13) . .
C96 C95 C98 C99 -143.0(9) . .
C94 C95 C98 C97 140.1(9) . .
C96 C95 C98 C97 -1.3(11) . .
C82 C97 C98 C99 -2.6(15) . .
C80 C97 C98 C99 143.2(10) . .
C82 C97 C98 C95 -144.0(11) . .
C80 C97 C98 C95 1.8(12) . .
C95 C98 C99 C100 2.5(14) . .
C97 C98 C99 C100 -136.2(10) . .
C95 C98 C99 C84 138.2(9) . .
C97 C98 C99 C84 -0.5(13) . .
C83 C84 C99 C98 -0.1(14) . .
C105 C84 C99 C98 -141.3(10) . .
C83 C84 C99 C100 143.5(10) . .
C105 C84 C99 C100 2.3(11) . .
C105 C88 C100 C101 141.5(8) . .
C89 C88 C100 C101 2.5(12) . .
C105 C88 C100 C99 -0.7(10) . .
C89 C88 C100 C99 -139.8(9) . .
C98 C99 C100 C101 -1.6(13) . .
C84 C99 C100 C101 -143.6(8) . .
C98 C99 C100 C88 141.0(10) . .
C84 C99 C100 C88 -0.9(10) . .
C88 C100 C101 C94 -140.6(8) . .
C99 C100 C101 C94 -0.1(11) . .
C88 C100 C101 C91 -0.9(11) . .
C99 C100 C101 C91 139.6(8) . .
C95 C94 C101 C100 0.9(10) . .
C93 C94 C101 C100 143.6(7) . .
C95 C94 C101 C91 -142.4(7) . .
C93 C94 C101 C91 0.3(8) . .
C90 C91 C101 C100 -0.5(11) . .
C92 C91 C101 C100 -143.4(7) . .
C90 C91 C101 C94 142.9(8) . .
C92 C91 C101 C94 0.0(8) . .
C46 C47 C102 C56 -0.5(11) . .
C48 C47 C102 C56 -138.4(8) . .
C46 C47 C102 C58 136.7(8) . .
C48 C47 C102 C58 -1.2(11) . .
C55 C56 C102 C47 0.4(12) . .
C74 C56 C102 C47 141.8(7) . .
C55 C56 C102 C58 -141.0(9) . .
C74 C56 C102 C58 0.4(9) . .
C59 C58 C102 C47 1.1(12) . .
C75 C58 C102 C47 -141.5(8) . .
C59 C58 C102 C56 142.0(8) . .
C75 C58 C102 C56 -0.6(10) . .
C76 C77 C103 C59 -0.4(19) . .
C87 C77 C103 C59 138.4(12) . .
C76 C77 C103 C79 -136.3(13) . .
C87 C77 C103 C79 2.4(17) . .
C58 C59 C103 C77 -1.3(17) . .
C60 C59 C103 C77 -142.3(12) . .
C58 C59 C103 C79 139.8(10) . .
C60 C59 C103 C79 -1.3(12) . .
C80 C79 C103 C77 -3.5(17) . .
C61 C79 C103 C77 140.4(12) . .
C80 C79 C103 C59 -143.4(11) . .
C61 C79 C103 C59 0.5(12) . .
C83 C64 C104 C50 137.7(11) . .
C63 C64 C104 C50 -1.3(15) . .
C83 C64 C104 C66 1.6(15) . .
C63 C64 C104 C66 -137.4(11) . .
C51 C50 C104 C64 -139.1(11) . .
C45 C50 C104 C64 3.0(14) . .
C51 C50 C104 C66 2.3(12) . .
C45 C50 C104 C66 144.4(9) . .
C67 C66 C104 C64 142.2(11) . .
C105 C66 C104 C64 -2.4(14) . .
C67 C66 C104 C50 -0.4(12) . .
C105 C66 C104 C50 -145.0(9) . .
C67 C66 C105 C84 -137.5(13) . .
C104 C66 C105 C84 0.6(13) . .
C67 C66 C105 C88 1.7(17) . .
C104 C66 C105 C88 139.8(10) . .
C83 C84 C105 C66 2.0(16) . .
C99 C84 C105 C66 140.6(9) . .
C83 C84 C105 C88 -141.3(11) . .
C99 C84 C105 C88 -2.7(11) . .
C100 C88 C105 C66 -141.9(10) . .
C89 C88 C105 C66 -0.2(14) . .
C100 C88 C105 C84 2.2(10) . .
C89 C88 C105 C84 143.9(9) . .
C4 C3 O1 C29 -173.8(7) . .
C2 C3 O1 C29 7.5(6) . .
O2 C29 O1 C3 -135.0(5) 2 .
O2 C29 O1 C3 -12.6(7) . .
O1 C29 O1 C3 106.3(4) 2 .
O2 C29 O2 C2 133.3(4) 2 .
O1 C29 O2 C2 -106.2(5) 2 .
O1 C29 O2 C2 12.7(7) . .
C1 C2 O2 C29 170.4(6) . .
C3 C2 O2 C29 -8.0(7) . .
O6 C30 O3 C16 129.1(6) . .
O5 C30 O3 C16 -111.1(5) . .
O4 C30 O3 C16 8.1(7) . .
C15 C16 O3 C30 172.0(7) . .
C17 C16 O3 C30 -5.6(7) . .
C18 C17 O4 C30 -175.9(7) . .
C16 C17 O4 C30 3.7(7) . .
O3 C30 O4 C17 -7.3(7) . .
O6 C30 O4 C17 -129.7(6) . .
O5 C30 O4 C17 112.5(6) . .
C31 C32 O5 C30 -179.3(7) . .
C33 C32 O5 C30 4.5(7) . .
O3 C30 O5 C32 -129.0(5) . .
O6 C30 O5 C32 -7.0(7) . .
O4 C30 O5 C32 111.8(6) . .
C34 C33 O6 C30 175.7(7) . .
C32 C33 O6 C30 -4.0(7) . .
O3 C30 O6 C33 127.5(6) . .
O5 C30 O6 C33 6.7(7) . .
O4 C30 O6 C33 -111.7(6) . .
