#------------------------------------------------------------------------------
#$Date: 2019-12-23 19:28:04 +0200 (Mon, 23 Dec 2019) $
#$Revision: 245511 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/72/4517252.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_4517252
loop_
_publ_author_name
'Alice Heskia'
'Thierry Maris'
'James D. Wuest'
_publ_contact_author_email       thierry.maris@umontreal.ca
_publ_contact_author_id_orcid    0000-0001-9731-4046
_publ_contact_author_name        'Thierry Maris'
_publ_contact_author_phone       '514 340 4177 2579'
_publ_section_title
;
 Putting Fullerenes in Their Place: Cocrystallizing C60 and C70 with
 Phosphangulene Chalcogenides
;
_journal_name_full               'Crystal growth and Design'
_journal_page_first              5418
_journal_paper_doi               10.1021/acs.cgd.9b00954
_journal_volume                  19
_journal_year                    2019
_chemical_formula_moiety         'C60, 3(C18 H9 O4 P), 3(C8 H10)'
_chemical_formula_sum            'C138 H57 O12 P3'
_chemical_formula_weight         1999.74
_chemical_name_systematic
;
tris(12cH-4,8,12-trioxa-12c-phosphadibenzo[cd,mn]pyren-12c-one) 
C60 fullerene 1,2-xylene solvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2016-10-20
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_cell_angle_alpha                90
_cell_angle_beta                 119.1907(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.1567(14)
_cell_length_b                   13.6785(7)
_cell_length_c                   27.0976(13)
_cell_measurement_reflns_used    4493
_cell_measurement_temperature    100
_cell_measurement_theta_max      60.678
_cell_measurement_theta_min      2.801
_cell_volume                     8787.4(8)
_computing_cell_refinement
;
SAINT (2013) V8.37A; Integration Software for Single Crystal Data.
Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_data_collection
;
APEX 2 (2013) Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_data_reduction
;
SAINT (2013) V8.37A; Integration Software for Single Crystal Data.
Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CMOS Area detector'
_diffrn_detector_area_resol_mean 10.24
_diffrn_detector_type            'Bruker Photon 100 CMOS Detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Venture Metaljet'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_collimation    'Focusing mirrors'
_diffrn_radiation_monochromator  'Helios MX Mirror Optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.1068
_diffrn_reflns_av_unetI/netI     0.0614
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            39117
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.794
_diffrn_reflns_theta_min         1.621
_diffrn_source                   'Metal Jet'
_diffrn_source_target            Ga
_diffrn_source_type              'Gallium Liquid Metal Jet Source'
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1318 before and 0.0870 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
 
For component 2:
 wR2(int) was 0.1445 before and 0.0772 after correction.
 The Ratio of minimum to maximum transmission is 0.67.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 178590 reflections, Rint = 0.1068
 (103128 with I > 3sig(I), Rint = 0.0920)
;
_exptl_crystal_colour            'metallic dark brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             4104
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.968
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.00082(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1378
_refine_ls_number_reflns         39117
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.1291
_refine_ls_R_factor_gt           0.1029
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1882P)²+11.8920P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2865
_refine_ls_wR_factor_ref         0.3189
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                30259
_reflns_number_total             39117
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jw18722_phango_c60_oxylene.cif
_cod_data_source_block           jw18722
_cod_database_code               4517252
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -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
P1C P 0.99279(5) 0.66182(9) 0.79407(4) 0.0268(3) Uani 1 1 d . . . . .
O1C O 1.05433(15) 0.6560(3) 0.83344(14) 0.0383(8) Uani 1 1 d . . . . .
C1C C 0.95863(19) 0.5646(4) 0.74787(17) 0.0263(9) Uani 1 1 d . . . . .
O2C O 0.93020(16) 0.4998(3) 0.81359(13) 0.0341(8) Uani 1 1 d . . . . .
C2C C 0.9335(2) 0.4918(4) 0.76411(17) 0.0271(9) Uani 1 1 d . . . . .
O3C O 0.94506(15) 0.8509(3) 0.80732(13) 0.0324(7) Uani 1 1 d . . . . .
C3C C 0.9101(2) 0.4113(4) 0.72923(19) 0.0321(10) Uani 1 1 d . . . . .
H3C H 0.8949 0.3586 0.7403 0.039 Uiso 1 1 calc R . . . .
O4C O 0.96845(15) 0.6487(3) 0.67447(13) 0.0300(7) Uani 1 1 d . . . . .
C4C C 0.9095(2) 0.4097(4) 0.67746(19) 0.0331(10) Uani 1 1 d . . . . .
H4C H 0.8955 0.3531 0.6544 0.040 Uiso 1 1 calc R . . . .
C5C C 0.9286(2) 0.4875(4) 0.65819(18) 0.0298(9) Uani 1 1 d . . . . .
H5C H 0.9256 0.4861 0.6218 0.036 Uiso 1 1 calc R . . . .
C6C C 0.95196(19) 0.5671(4) 0.69383(18) 0.0261(9) Uani 1 1 d . . . . .
C7C C 0.9466(2) 0.6749(4) 0.82143(16) 0.0280(9) Uani 1 1 d . . . . .
C8C C 0.9216(2) 0.5924(4) 0.82988(17) 0.0301(10) Uani 1 1 d . . . . .
C9C C 0.8861(2) 0.6021(4) 0.85311(18) 0.0356(11) Uani 1 1 d . . . . .
H9C H 0.8703 0.5464 0.8612 0.043 Uiso 1 1 calc R . . . .
C10C C 0.8745(2) 0.6960(5) 0.86412(19) 0.0392(12) Uani 1 1 d . . . . .
H10C H 0.8522 0.7034 0.8821 0.047 Uiso 1 1 calc R . . . .
C11C C 0.8940(2) 0.7798(4) 0.85004(18) 0.0336(11) Uani 1 1 d . . . . .
H11C H 0.8837 0.8430 0.8565 0.040 Uiso 1 1 calc R . . . .
C12C C 0.92893(19) 0.7687(4) 0.82639(17) 0.0292(9) Uani 1 1 d . . . . .
C13C C 0.96759(18) 0.7568(4) 0.74468(18) 0.0265(9) Uani 1 1 d . . . . .
C14C C 0.9485(2) 0.8431(4) 0.75781(18) 0.0293(9) Uani 1 1 d . . . . .
C15C C 0.9321(2) 0.9200(4) 0.7200(2) 0.0323(10) Uani 1 1 d . . . . .
H15C H 0.9211 0.9806 0.7287 0.039 Uiso 1 1 calc R . . . .
C16C C 0.9320(2) 0.9075(4) 0.6692(2) 0.0334(10) Uani 1 1 d . . . . .
H16C H 0.9231 0.9617 0.6444 0.040 Uiso 1 1 calc R . . . .
C17C C 0.9447(2) 0.8179(4) 0.65319(19) 0.0304(10) Uani 1 1 d . . . . .
H17C H 0.9425 0.8098 0.6173 0.036 Uiso 1 1 calc R . . . .
C18C C 0.96027(19) 0.7425(4) 0.69078(19) 0.0284(9) Uani 1 1 d . . . . .
P1B P 0.52383(5) 0.77352(8) 0.25179(4) 0.0255(3) Uani 1 1 d . . . . .
O1B O 0.49214(18) 0.7797(3) 0.18922(13) 0.0380(9) Uani 1 1 d . . . . .
C1B C 0.5973(2) 0.7643(3) 0.28650(17) 0.0265(9) Uani 1 1 d . . . . .
O2B O 0.59007(15) 0.5882(2) 0.29125(13) 0.0309(7) Uani 1 1 d . . . . .
C2B C 0.6227(2) 0.6724(3) 0.30182(18) 0.0287(9) Uani 1 1 d . . . . .
O3B O 0.60469(14) 0.9397(2) 0.30278(13) 0.0271(6) Uani 1 1 d . . . . .
C3B C 0.6808(2) 0.6643(4) 0.32959(19) 0.0325(10) Uani 1 1 d . . . . .
H3B H 0.6986 0.6020 0.3385 0.039 Uiso 1 1 calc R . . . .
O4B O 0.44453(14) 0.7792(3) 0.29922(13) 0.0298(7) Uani 1 1 d . . . . .
C4B C 0.7125(2) 0.7497(4) 0.3441(2) 0.0342(10) Uani 1 1 d . . . . .
H4B H 0.7524 0.7448 0.3609 0.041 Uiso 1 1 calc R . . . .
C5B C 0.6883(2) 0.8427(4) 0.33502(19) 0.0308(10) Uani 1 1 d . . . . .
H5B H 0.7110 0.8998 0.3473 0.037 Uiso 1 1 calc R . . . .
C6B C 0.6302(2) 0.8488(3) 0.30761(17) 0.0265(9) Uani 1 1 d . . . . .
C7B C 0.5095(2) 0.6761(3) 0.28481(16) 0.0267(9) Uani 1 1 d . . . . .
C8B C 0.46956(19) 0.6883(4) 0.30267(17) 0.0267(9) Uani 1 1 d . . . . .
C9B C 0.4560(2) 0.6097(4) 0.32587(18) 0.0323(10) Uani 1 1 d . . . . .
H9B H 0.4275 0.6152 0.3364 0.039 Uiso 1 1 calc R . . . .
C10B C 0.4852(2) 0.5221(4) 0.33338(17) 0.0313(10) Uani 1 1 d . . . . .
H10B H 0.4743 0.4664 0.3467 0.038 Uiso 1 1 calc R . . . .
C11B C 0.5300(2) 0.5133(3) 0.32208(17) 0.0301(10) Uani 1 1 d . . . . .
H11B H 0.5510 0.4543 0.3301 0.036 Uiso 1 1 calc R . . . .
C12B C 0.5429(2) 0.5922(3) 0.29897(16) 0.0274(9) Uani 1 1 d . . . . .
C13B C 0.51812(19) 0.8695(3) 0.29163(16) 0.0245(8) Uani 1 1 d . . . . .
C14B C 0.55742(19) 0.9442(3) 0.31066(17) 0.0246(8) Uani 1 1 d . . . . .
C15B C 0.5509(2) 1.0233(3) 0.33865(16) 0.0260(9) Uani 1 1 d . . . . .
H15B H 0.5764 1.0768 0.3501 0.031 Uiso 1 1 calc R . . . .
C16B C 0.5060(2) 1.0224(4) 0.34955(18) 0.0292(9) Uani 1 1 d . . . . .
H16B H 0.4997 1.0785 0.3664 0.035 Uiso 1 1 calc R . . . .
C17B C 0.4695(2) 0.9424(4) 0.33671(18) 0.0288(9) Uani 1 1 d . . . . .
H17B H 0.4406 0.9420 0.3469 0.035 Uiso 1 1 calc R . . . .
C18B C 0.47696(18) 0.8638(3) 0.30869(16) 0.0246(8) Uani 1 1 d . . . . .
P1A P 0.82667(5) 0.51047(9) 0.40209(5) 0.0267(3) Uani 1 1 d . . . . .
O1A O 0.82335(16) 0.6176(3) 0.40614(15) 0.0365(8) Uani 1 1 d . . . . .
C1A C 0.8539(2) 0.4621(4) 0.36054(19) 0.0284(9) Uani 1 1 d . . . . .
O2A O 0.75867(15) 0.4437(3) 0.28145(13) 0.0321(7) Uani 1 1 d . . . . .
C2A C 0.8172(2) 0.4378(3) 0.30453(18) 0.0291(9) Uani 1 1 d . . . . .
O3A O 0.94539(15) 0.4461(3) 0.44468(14) 0.0343(7) Uani 1 1 d . . . . .
C3A C 0.8391(2) 0.4045(4) 0.2707(2) 0.0342(10) Uani 1 1 d . . . . .
H3A H 0.8151 0.3920 0.2316 0.041 Uiso 1 1 calc R . . . .
O4A O 0.78104(14) 0.4058(3) 0.46820(13) 0.0309(7) Uani 1 1 d . . . . .
C4A C 0.8969(2) 0.3902(4) 0.2954(2) 0.0368(11) Uani 1 1 d . . . . .
H4A H 0.9121 0.3696 0.2721 0.044 Uiso 1 1 calc R . . . .
C5A C 0.9338(2) 0.4046(4) 0.3532(2) 0.0357(11) Uani 1 1 d . . . . .
H5A H 0.9730 0.3919 0.3693 0.043 Uiso 1 1 calc R . . . .
C6A C 0.9110(2) 0.4380(4) 0.3858(2) 0.0310(10) Uani 1 1 d . . . . .
C7A C 0.8665(2) 0.4416(4) 0.46349(18) 0.0281(9) Uani 1 1 d . . . . .
C8A C 0.9221(2) 0.4177(4) 0.47890(19) 0.0316(10) Uani 1 1 d . . . . .
C9A C 0.9541(2) 0.3622(4) 0.52658(19) 0.0346(11) Uani 1 1 d . . . . .
H9A H 0.9929 0.3500 0.5395 0.042 Uiso 1 1 calc R . . . .
C10A C 0.9269(2) 0.3243(4) 0.55531(18) 0.0382(12) Uani 1 1 d . . . . .
H10A H 0.9484 0.2874 0.5888 0.046 Uiso 1 1 calc R . . . .
C11A C 0.8702(2) 0.3386(4) 0.53664(18) 0.0348(11) Uani 1 1 d . . . . .
H11A H 0.8528 0.3090 0.5559 0.042 Uiso 1 1 calc R . . . .
C12A C 0.8389(2) 0.3967(4) 0.48934(18) 0.0297(9) Uani 1 1 d . . . . .
C13A C 0.76445(19) 0.4428(3) 0.37380(18) 0.0259(8) Uani 1 1 d . . . . .
C14A C 0.7456(2) 0.4063(4) 0.40960(18) 0.0267(9) Uani 1 1 d . . . . .
C15A C 0.6918(2) 0.3685(4) 0.3871(2) 0.0297(9) Uani 1 1 d . . . . .
H15A H 0.6771 0.3484 0.4109 0.036 Uiso 1 1 calc R . . . .
C16A C 0.6595(2) 0.3607(4) 0.3280(2) 0.0332(10) Uani 1 1 d . . . . .
H16A H 0.6215 0.3388 0.3118 0.040 Uiso 1 1 calc R . . . .
C17A C 0.6815(2) 0.3843(4) 0.29227(19) 0.0310(10) Uani 1 1 d . . . . .
H17A H 0.6601 0.3735 0.2527 0.037 Uiso 1 1 calc R . . . .
C18A C 0.7347(2) 0.4231(3) 0.31569(18) 0.0271(9) Uani 1 1 d . . . . .
C1E C 0.7438(2) 0.3627(4) 0.81913(19) 0.0301(9) Uani 1 1 d . . . . .
C2E C 0.7528(2) 0.3557(4) 0.8745(2) 0.0332(10) Uani 1 1 d . . . . .
C3E C 0.8055(2) 0.3249(4) 0.9170(2) 0.0386(11) Uani 1 1 d . . . . .
H3E H 0.8120 0.3191 0.9546 0.046 Uiso 1 1 calc R . . . .
C4E C 0.8491(2) 0.3026(4) 0.9053(2) 0.0403(12) Uani 1 1 d . . . . .
H4E H 0.8845 0.2806 0.9347 0.048 Uiso 1 1 calc R . . . .
C5E C 0.8406(2) 0.3124(4) 0.8517(2) 0.0402(12) Uani 1 1 d . . . . .
H5E H 0.8704 0.2987 0.8438 0.048 Uiso 1 1 calc R . . . .
C6E C 0.7884(2) 0.3423(4) 0.8086(2) 0.0374(11) Uani 1 1 d . . . . .
H6E H 0.7828 0.3491 0.7713 0.045 Uiso 1 1 calc R . . . .
C7E C 0.6869(2) 0.3902(4) 0.7715(2) 0.0382(11) Uani 1 1 d . . . . .
H7EA H 0.6749 0.4523 0.7803 0.057 Uiso 1 1 calc GR . . . .
H7EB H 0.6595 0.3391 0.7665 0.057 Uiso 1 1 calc GR . . . .
H7EC H 0.6890 0.3971 0.7366 0.057 Uiso 1 1 calc GR . . . .
C8E C 0.7075(3) 0.3817(5) 0.8891(2) 0.0438(12) Uani 1 1 d . . . . .
H8EA H 0.6738 0.3423 0.8661 0.066 Uiso 1 1 calc GR . . . .
H8EB H 0.6981 0.4512 0.8814 0.066 Uiso 1 1 calc GR . . . .
H8EC H 0.7211 0.3685 0.9292 0.066 Uiso 1 1 calc GR . . . .
C1D C 0.8914(2) 0.8833(5) 0.50294(19) 0.0384(12) Uani 1 1 d . . . . .
C2D C 0.9419(2) 0.9372(4) 0.53030(18) 0.0344(11) Uani 1 1 d . . . . .
C3D C 0.9931(2) 0.8855(4) 0.5527(2) 0.0366(11) Uani 1 1 d . . . . .
H3D H 1.0276 0.9208 0.5712 0.044 Uiso 1 1 calc R . . . .
C4D C 0.9950(3) 0.7856(5) 0.5486(2) 0.0415(12) Uani 1 1 d . . . . .
H4D H 1.0302 0.7527 0.5639 0.050 Uiso 1 1 calc R . . . .
C5D C 0.9445(3) 0.7328(5) 0.5217(2) 0.0398(12) Uani 1 1 d . . . . .
H5D H 0.9450 0.6637 0.5186 0.048 Uiso 1 1 calc R . . . .
C6D C 0.8939(2) 0.7824(5) 0.49965(19) 0.0415(13) Uani 1 1 d . . . . .
H6D H 0.8596 0.7463 0.4817 0.050 Uiso 1 1 calc R . . . .
C7D C 0.8362(3) 0.9368(6) 0.4779(3) 0.0601(19) Uani 1 1 d . . . . .
H7DA H 0.8318 0.9675 0.5082 0.090 Uiso 1 1 calc GR . . . .
H7DB H 0.8052 0.8905 0.4573 0.090 Uiso 1 1 calc GR . . . .
H7DC H 0.8354 0.9872 0.4518 0.090 Uiso 1 1 calc GR . . . .
C8D C 0.9422(3) 1.0457(5) 0.5363(2) 0.0460(13) Uani 1 1 d . . . . .
H8DA H 0.9199 1.0755 0.4989 0.069 Uiso 1 1 calc GR . . . .
H8DB H 0.9810 1.0698 0.5536 0.069 Uiso 1 1 calc GR . . . .
H8DC H 0.9257 1.0631 0.5603 0.069 Uiso 1 1 calc GR . . . .
C1F C 0.2914(5) 0.7800(8) 0.4201(4) 0.036(2) Uiso 0.5 1 d . U P A 1
C2F C 0.2708(3) 0.7701(6) 0.3634(3) 0.0203(14) Uiso 0.5 1 d . U P A 1
H2F H 0.2316 0.7599 0.3390 0.024 Uiso 1 1 calc R . . A 1
C3F C 0.3076(5) 0.7749(9) 0.3413(5) 0.039(2) Uiso 0.5 1 d . U P A 1
H3F H 0.2908 0.7688 0.3014 0.047 Uiso 1 1 calc R . . A 1
C4F C 0.3542(7) 0.7850(11) 0.3647(7) 0.054(3) Uiso 0.5 1 d . U P A 1
H4F H 0.3760 0.7860 0.3459 0.065 Uiso 1 1 calc R . . A 1
C5F C 0.3844(7) 0.7986(12) 0.4369(6) 0.058(3) Uiso 0.5 1 d . U P A 1
H5F H 0.4236 0.8087 0.4609 0.070 Uiso 1 1 calc R . . A 1
C6F C 0.3442(3) 0.7931(6) 0.4577(3) 0.0155(13) Uiso 0.5 1 d . U P A 1
C7F C 0.2470(4) 0.7852(8) 0.4398(4) 0.0311(18) Uiso 0.5 1 d . U P A 1
H7FA H 0.2454 0.8519 0.4522 0.047 Uiso 1 1 calc GR . . A 1
H7FB H 0.2573 0.7397 0.4713 0.047 Uiso 1 1 calc GR . . A 1
H7FC H 0.2099 0.7673 0.4084 0.047 Uiso 1 1 calc GR . . A 1
C8F C 0.3683(9) 0.8047(15) 0.5203(7) 0.073(4) Uiso 0.5 1 d . U P A 1
H8FA H 0.3420 0.8425 0.5279 0.110 Uiso 1 1 calc GR . . A 1
H8FB H 0.4045 0.8391 0.5361 0.110 Uiso 1 1 calc GR . . A 1
H8FC H 0.3740 0.7401 0.5379 0.110 Uiso 1 1 calc GR . . A 1
C1G C 0.4148(9) 0.7036(16) 0.5736(8) 0.072(4) Uiso 0.5 1 d . . P B 2
C2G C 0.4103(5) 0.8128(10) 0.5603(5) 0.044(2) Uiso 0.5 1 d . . P B 2
C3G C 0.1661(6) 0.8551(11) 0.3599(6) 0.054(3) Uiso 0.5 1 d . . P C 2
C4G C 0.2959(8) 0.7958(14) 0.4765(7) 0.070(4) Uiso 0.5 1 d . . P D 2
C5G C 0.1864(7) 0.7583(12) 0.3896(6) 0.057(3) Uiso 0.5 1 d . . P C 2
C6G C 0.4009(7) 0.7937(12) 0.5055(6) 0.055(3) Uiso 0.5 1 d . . P B 2
C7G C 0.4027(9) 0.7342(16) 0.5915(8) 0.073(4) Uiso 0.5 1 d . . P B 2
C8G C 0.3717(6) 0.7795(9) 0.3870(6) 0.039(2) Uiso 0.5 1 d . . P E 2
C1H C 0.5923(4) 0.8740(7) 0.6089(4) 0.067(2) Uani 1 1 d . . . . .
C2H C 0.6425(4) 0.8575(7) 0.6660(3) 0.070(2) Uani 1 1 d . . . . .
C3H C 0.6514(4) 0.7673(7) 0.6909(3) 0.065(2) Uani 1 1 d . . . . .
C4H C 0.6125(3) 0.6877(7) 0.6622(3) 0.061(2) Uani 1 1 d . . . . .
C5H C 0.5651(3) 0.7023(7) 0.6094(3) 0.061(2) Uani 1 1 d . . . . .
C6H C 0.5558(3) 0.7995(8) 0.5823(4) 0.069(2) Uani 1 1 d . . . . .
C7H C 0.5337(3) 0.7839(7) 0.5222(3) 0.0608(19) Uani 1 1 d . . . . .
C8H C 0.5496(3) 0.8456(6) 0.4915(3) 0.0523(16) Uani 1 1 d . . . . .
C9H C 0.5892(3) 0.9250(5) 0.5205(3) 0.0510(15) Uani 1 1 d . . . . .
C10H C 0.6092(4) 0.9393(6) 0.5783(3) 0.0607(19) Uani 1 1 d . . . . .
C11H C 0.6684(4) 0.9637(5) 0.6140(3) 0.063(2) Uani 1 1 d . . . . .
C12H C 0.7039(4) 0.9721(5) 0.5902(3) 0.0581(18) Uani 1 1 d . . . . .
C13H C 0.6254(3) 0.9335(5) 0.4963(3) 0.0506(15) Uani 1 1 d . . . . .
C14H C 0.6095(3) 0.8578(5) 0.4517(2) 0.0475(15) Uani 1 1 d . . . . .
C15H C 0.6506(3) 0.8099(5) 0.4449(2) 0.0494(15) Uani 1 1 d . . . . .
C16H C 0.7091(3) 0.8350(6) 0.4803(2) 0.0513(16) Uani 1 1 d . . . . .
C17H C 0.7237(3) 0.9076(5) 0.5214(3) 0.0503(15) Uani 1 1 d . . . . .
C18H C 0.7738(3) 0.8903(5) 0.5774(3) 0.0542(17) Uani 1 1 d . . . . .
C19H C 0.8040(2) 0.8041(6) 0.5872(3) 0.0549(17) Uani 1 1 d . . . . .
C20H C 0.7885(3) 0.7316(7) 0.5453(3) 0.058(2) Uani 1 1 d . . . . .
C21H C 0.7423(3) 0.7468(6) 0.4927(3) 0.0542(17) Uani 1 1 d . . . . .
C22H C 0.7024(3) 0.6664(6) 0.4640(3) 0.0597(19) Uani 1 1 d . . . . .
C23H C 0.7112(4) 0.5771(6) 0.4892(3) 0.0596(19) Uani 1 1 d . . . . .
C24H C 0.7610(4) 0.5602(6) 0.5452(3) 0.0599(19) Uani 1 1 d . . . . .
C25H C 0.7982(3) 0.6358(7) 0.5722(3) 0.060(2) Uani 1 1 d . . . . .
C26H C 0.8199(2) 0.6505(6) 0.6320(3) 0.0507(16) Uani 1 1 d . . . . .
C27H C 0.8036(2) 0.5902(5) 0.6629(2) 0.0435(13) Uani 1 1 d . . . . .
C28H C 0.7653(3) 0.5108(5) 0.6343(2) 0.0452(13) Uani 1 1 d . . . . .
C29H C 0.7447(3) 0.4973(5) 0.5766(3) 0.0528(16) Uani 1 1 d . . . . .
C30H C 0.6865(4) 0.4715(5) 0.5413(3) 0.0574(18) Uani 1 1 d . . . . .
C31H C 0.6500(4) 0.4627(4) 0.5646(3) 0.0536(16) Uani 1 1 d . . . . .
C32H C 0.6717(3) 0.4782(5) 0.6243(3) 0.0496(14) Uani 1 1 d . . . . .
C33H C 0.7281(3) 0.5018(5) 0.6588(2) 0.0463(13) Uani 1 1 d . . . . .
C34H C 0.7449(3) 0.5769(5) 0.7028(2) 0.0440(13) Uani 1 1 d . . . . .
C35H C 0.7039(3) 0.6250(5) 0.7100(2) 0.0502(15) Uani 1 1 d . . . . .
C36H C 0.6448(3) 0.5996(6) 0.6741(2) 0.0502(16) Uani 1 1 d . . . . .
C37H C 0.6298(3) 0.5284(5) 0.6330(2) 0.0464(14) Uani 1 1 d . . . . .
C38H C 0.5806(3) 0.5442(6) 0.5778(3) 0.0561(18) Uani 1 1 d . . . . .
C39H C 0.5496(3) 0.6302(7) 0.5672(3) 0.062(2) Uani 1 1 d . . . . .
C40H C 0.5298(3) 0.6799(7) 0.5129(3) 0.061(2) Uani 1 1 d . . . . .
C41H C 0.5412(3) 0.6419(6) 0.4728(2) 0.0580(19) Uani 1 1 d . . . . .
C42H C 0.5749(3) 0.5488(5) 0.4846(2) 0.0558(17) Uani 1 1 d . . . . .
C43H C 0.5930(3) 0.5033(6) 0.5356(3) 0.0592(19) Uani 1 1 d . . . . .
C44H C 0.6658(3) 0.5228(5) 0.4875(2) 0.0539(17) Uani 1 1 d . . . . .
C45H C 0.6110(3) 0.5592(5) 0.4601(2) 0.0551(17) Uani 1 1 d . . . . .
C46H C 0.6014(3) 0.6537(5) 0.43322(19) 0.0502(15) Uani 1 1 d . . . . .
C47H C 0.5592(3) 0.7035(5) 0.4409(2) 0.0471(14) Uani 1 1 d . . . . .
C48H C 0.5628(3) 0.8037(5) 0.4500(2) 0.0469(14) Uani 1 1 d . . . . .
C49H C 0.6465(3) 0.7059(6) 0.4350(2) 0.0503(16) Uani 1 1 d . . . . .
C50H C 0.7796(3) 0.8856(6) 0.6702(3) 0.063(2) Uani 1 1 d . . . . .
C51H C 0.8133(3) 0.7930(6) 0.6814(2) 0.0559(18) Uani 1 1 d . . . . .
C52H C 0.7959(3) 0.7308(5) 0.7139(2) 0.0473(14) Uani 1 1 d . . . . .
C53H C 0.7536(3) 0.7816(5) 0.7223(2) 0.0544(17) Uani 1 1 d . . . . .
C54H C 0.7434(3) 0.8758(5) 0.6952(2) 0.0579(18) Uani 1 1 d . . . . .
C55H C 0.6886(4) 0.9135(5) 0.6675(3) 0.063(2) Uani 1 1 d . . . . .
C56H C 0.7919(2) 0.6318(5) 0.70472(19) 0.0421(13) Uani 1 1 d . . . . .
C57H C 0.8239(2) 0.7552(6) 0.6417(3) 0.0546(17) Uani 1 1 d . . . . .
C58H C 0.7618(3) 0.9307(5) 0.6197(3) 0.0586(18) Uani 1 1 d . . . . .
C59H C 0.6825(3) 0.9563(5) 0.5304(3) 0.0539(16) Uani 1 1 d . . . . .
C60H C 0.7084(3) 0.7282(6) 0.7203(2) 0.0556(18) Uani 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 0.0150 0.0070 '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 0.0410 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2600 0.3350 '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
O1C P1C C1C 119.5(2) . .
O1C P1C C7C 119.3(2) . .
O1C P1C C13C 118.3(2) . .
C1C P1C C7C 98.1(2) . .
C13C P1C C1C 98.3(2) . .
C13C P1C C7C 98.9(2) . .
C2C C1C P1C 119.2(3) . .
C6C C1C P1C 119.2(4) . .
C6C C1C C2C 121.3(4) . .
C2C O2C C8C 118.3(3) . .
O2C C2C C1C 121.3(4) . .
C3C C2C C1C 118.9(4) . .
C3C C2C O2C 119.7(4) . .
C14C O3C C12C 118.4(3) . .
C2C C3C H3C 120.8 . .
C2C C3C C4C 118.4(5) . .
C4C C3C H3C 120.8 . .
C6C O4C C18C 118.8(3) . .
C3C C4C H4C 118.6 . .
C5C C4C C3C 122.7(4) . .
C5C C4C H4C 118.6 . .
C4C C5C H5C 121.1 . .
C6C C5C C4C 117.8(4) . .
C6C C5C H5C 121.1 . .
C1C C6C O4C 121.1(4) . .
C1C C6C C5C 119.7(4) . .
C5C C6C O4C 119.2(4) . .
C8C C7C P1C 119.6(4) . .
C8C C7C C12C 120.7(4) . .
C12C C7C P1C 119.0(4) . .
C7C C8C O2C 120.9(4) . .
C9C C8C O2C 119.2(5) . .
C9C C8C C7C 119.9(5) . .
C8C C9C H9C 121.1 . .
C10C C9C C8C 117.7(5) . .
C10C C9C H9C 121.1 . .
C9C C10C H10C 118.4 . .
C9C C10C C11C 123.1(4) . .
C11C C10C H10C 118.4 . .
C10C C11C H11C 120.9 . .
C12C C11C C10C 118.3(5) . .
C12C C11C H11C 120.9 . .
O3C C12C C7C 121.2(4) . .
C11C C12C O3C 119.5(4) . .
C11C C12C C7C 119.2(5) . .
C14C C13C P1C 119.1(3) . .
C18C C13C P1C 120.2(4) . .
C18C C13C C14C 120.3(4) . .
O3C C14C C13C 121.0(4) . .
C15C C14C O3C 120.4(4) . .
C15C C14C C13C 118.5(4) . .
C14C C15C H15C 120.5 . .
C16C C15C C14C 119.1(5) . .
C16C C15C H15C 120.5 . .
C15C C16C H16C 118.8 . .
C15C C16C C17C 122.4(5) . .
C17C C16C H16C 118.8 . .
C16C C17C H17C 121.2 . .
C18C C17C C16C 117.7(4) . .
C18C C17C H17C 121.2 . .
C13C C18C O4C 119.6(4) . .
C17C C18C O4C 119.5(4) . .
C17C C18C C13C 120.8(4) . .
O1B P1B C1B 119.6(2) . .
O1B P1B C7B 118.5(2) . .
O1B P1B C13B 119.0(2) . .
C1B P1B C7B 98.7(2) . .
C1B P1B C13B 98.2(2) . .
C7B P1B C13B 98.4(2) . .
C2B C1B P1B 119.6(4) . .
C2B C1B C6B 119.8(4) . .
C6B C1B P1B 119.6(3) . .
C2B O2B C12B 118.3(3) . .
O2B C2B C1B 120.7(4) . .
C3B C2B C1B 120.1(5) . .
C3B C2B O2B 119.1(4) . .
C6B O3B C14B 118.3(3) . .
C2B C3B H3B 120.9 . .
C2B C3B C4B 118.1(4) . .
C4B C3B H3B 120.9 . .
C8B O4B C18B 118.7(3) . .
C3B C4B H4B 118.6 . .
C3B C4B C5B 122.8(5) . .
C5B C4B H4B 118.6 . .
C4B C5B H5B 121.1 . .
C6B C5B C4B 117.9(5) . .
C6B C5B H5B 121.1 . .
O3B C6B C1B 120.4(4) . .
C5B C6B C1B 120.2(4) . .
C5B C6B O3B 119.3(4) . .
C8B C7B P1B 119.3(4) . .
C12B C7B P1B 119.3(4) . .
C12B C7B C8B 120.9(4) . .
O4B C8B C7B 121.2(4) . .
C9B C8B O4B 119.5(4) . .
C9B C8B C7B 119.3(5) . .
C8B C9B H9B 120.9 . .
C8B C9B C10B 118.3(5) . .
C10B C9B H9B 120.9 . .
C9B C10B H10B 118.8 . .
C11B C10B C9B 122.4(4) . .
C11B C10B H10B 118.8 . .
C10B C11B H11B 120.9 . .
C12B C11B C10B 118.3(5) . .
C12B C11B H11B 120.9 . .
C7B C12B O2B 120.7(4) . .
C11B C12B O2B 119.5(4) . .
C11B C12B C7B 119.7(5) . .
C14B C13B P1B 119.9(3) . .
C14B C13B C18B 120.8(4) . .
C18B C13B P1B 118.9(4) . .
C13B C14B O3B 120.6(4) . .
C15B C14B O3B 119.4(4) . .
C15B C14B C13B 120.1(4) . .
C14B C15B H15B 120.9 . .
C14B C15B C16B 118.1(4) . .
C16B C15B H15B 120.9 . .
C15B C16B H16B 118.6 . .
C15B C16B C17B 122.8(4) . .
C17B C16B H16B 118.6 . .
C16B C17B H17B 121.1 . .
C18B C17B C16B 117.8(4) . .
C18B C17B H17B 121.1 . .
O4B C18B C13B 121.1(4) . .
C17B C18B O4B 119.6(4) . .
C17B C18B C13B 119.3(4) . .
O1A P1A C1A 118.9(2) . .
O1A P1A C7A 119.7(2) . .
O1A P1A C13A 118.6(2) . .
C1A P1A C7A 98.6(2) . .
C13A P1A C1A 98.0(2) . .
C13A P1A C7A 98.6(2) . .
C2A C1A P1A 119.3(4) . .
C2A C1A C6A 120.9(4) . .
C6A C1A P1A 119.4(3) . .
C18A O2A C2A 119.1(3) . .
C1A C2A O2A 121.9(4) . .
C3A C2A C1A 119.3(5) . .
C3A C2A O2A 118.9(4) . .
C6A O3A C8A 117.5(4) . .
C2A C3A H3A 120.8 . .
C4A C3A C2A 118.4(5) . .
C4A C3A H3A 120.8 . .
C12A O4A C14A 118.8(3) . .
C3A C4A H4A 118.6 . .
C3A C4A C5A 122.9(4) . .
C5A C4A H4A 118.6 . .
C4A C5A H5A 121.2 . .
C6A C5A C4A 117.6(5) . .
C6A C5A H5A 121.2 . .
C1A C6A O3A 120.2(4) . .
C5A C6A C1A 120.1(5) . .
C5A C6A O3A 119.7(5) . .
C8A C7A P1A 119.1(4) . .
C12A C7A P1A 118.7(4) . .
C12A C7A C8A 121.1(4) . .
C7A C8A O3A 120.4(4) . .
C9A C8A O3A 119.3(4) . .
C9A C8A C7A 120.2(4) . .
C8A C9A H9A 121.3 . .
C8A C9A C10A 117.4(5) . .
C10A C9A H9A 121.3 . .
C9A C10A H10A 118.7 . .
C11A C10A C9A 122.5(5) . .
C11A C10A H10A 118.7 . .
C10A C11A H11A 120.3 . .
C10A C11A C12A 119.4(5) . .
C12A C11A H11A 120.3 . .
C7A C12A O4A 122.0(4) . .
C11A C12A O4A 119.4(4) . .
C11A C12A C7A 118.5(5) . .
C14A C13A P1A 119.4(3) . .
C14A C13A C18A 120.5(4) . .
C18A C13A P1A 120.0(3) . .
C13A C14A O4A 120.7(4) . .
C15A C14A O4A 119.5(4) . .
C15A C14A C13A 119.8(4) . .
C14A C15A H15A 121.0 . .
C14A C15A C16A 118.0(4) . .
C16A C15A H15A 121.0 . .
C15A C16A H16A 119.0 . .
C15A C16A C17A 122.0(5) . .
C17A C16A H16A 119.0 . .
C16A C17A H17A 120.7 . .
C18A C17A C16A 118.6(4) . .
C18A C17A H17A 120.7 . .
O2A C18A C13A 120.5(4) . .
C17A C18A O2A 119.8(4) . .
C17A C18A C13A 119.6(4) . .
C2E C1E C7E 120.5(4) . .
C6E C1E C2E 119.2(5) . .
C6E C1E C7E 120.3(4) . .
C1E C2E C8E 121.7(5) . .
C3E C2E C1E 118.6(5) . .
C3E C2E C8E 119.7(5) . .
C2E C3E H3E 119.3 . .
C2E C3E C4E 121.3(5) . .
C4E C3E H3E 119.3 . .
C3E C4E H4E 120.1 . .
C5E C4E C3E 119.8(5) . .
C5E C4E H4E 120.1 . .
C4E C5E H5E 120.0 . .
C4E C5E C6E 120.0(5) . .
C6E C5E H5E 120.0 . .
C1E C6E H6E 119.5 . .
C5E C6E C1E 121.1(5) . .
C5E C6E H6E 119.5 . .
C1E C7E H7EA 109.5 . .
C1E C7E H7EB 109.5 . .
C1E C7E H7EC 109.5 . .
H7EA C7E H7EB 109.5 . .
H7EA C7E H7EC 109.5 . .
H7EB C7E H7EC 109.5 . .
C2E C8E H8EA 109.5 . .
C2E C8E H8EB 109.5 . .
C2E C8E H8EC 109.5 . .
H8EA C8E H8EB 109.5 . .
H8EA C8E H8EC 109.5 . .
H8EB C8E H8EC 109.5 . .
C2D C1D C7D 119.0(6) . .
C6D C1D C2D 119.4(5) . .
C6D C1D C7D 121.6(6) . .
C1D C2D C8D 122.0(5) . .
C3D C2D C1D 117.9(5) . .
C3D C2D C8D 120.1(5) . .
C2D C3D H3D 118.9 . .
C4D C3D C2D 122.2(5) . .
C4D C3D H3D 118.9 . .
C3D C4D H4D 120.3 . .
C3D C4D C5D 119.4(6) . .
C5D C4D H4D 120.3 . .
C4D C5D H5D 120.4 . .
C6D C5D C4D 119.2(6) . .
C6D C5D H5D 120.4 . .
C1D C6D H6D 119.0 . .
C5D C6D C1D 122.0(5) . .
C5D C6D H6D 119.0 . .
C1D C7D H7DA 109.5 . .
C1D C7D H7DB 109.5 . .
C1D C7D H7DC 109.5 . .
H7DA C7D H7DB 109.5 . .
H7DA C7D H7DC 109.5 . .
H7DB C7D H7DC 109.5 . .
C2D C8D H8DA 109.5 . .
C2D C8D H8DB 109.5 . .
C2D C8D H8DC 109.5 . .
H8DA C8D H8DB 109.5 . .
H8DA C8D H8DC 109.5 . .
H8DB C8D H8DC 109.5 . .
C2F C1F C7F 115.8(9) . .
C6F C1F C2F 125.8(9) . .
C6F C1F C7F 118.2(8) . .
C1F C2F H2F 120.2 . .
C3F C2F C1F 119.5(9) . .
C3F C2F H2F 120.2 . .
C2F C3F H3F 116.0 . .
C4F C3F C2F 128.0(12) . .
C4F C3F H3F 116.0 . .
C3F C4F H4F 122.0 . .
C3F C4F C5F 115.9(13) . .
C5F C4F H4F 122.0 . .
C4F C5F H5F 123.1 . .
C6F C5F C4F 113.8(12) . .
C6F C5F H5F 123.1 . .
C1F C6F C5F 116.9(9) . .
C1F C6F C8F 127.1(10) . .
C5F C6F C8F 116.0(11) . .
C1F C7F H7FA 109.5 . .
C1F C7F H7FB 109.5 . .
C1F C7F H7FC 109.5 . .
H7FA C7F H7FB 109.5 . .
H7FA C7F H7FC 109.5 . .
H7FB C7F H7FC 109.5 . .
C6F C8F H8FA 109.5 . .
C6F C8F H8FB 109.5 . .
C6F C8F H8FC 109.5 . .
H8FA C8F H8FB 109.5 . .
H8FA C8F H8FC 109.5 . .
H8FB C8F H8FC 109.5 . .
C7G C1G C2G 69(2) . .
C6G C2G C1G 91.2(12) . .
C6G C2G C7G 118.6(14) . .
C1G C7G C2G 80(2) . .
C6H C1H C2H 119.8(8) . .
C6H C1H C10H 120.9(7) . .
C10H C1H C2H 107.7(8) . .
C3H C2H C1H 119.8(9) . .
C3H C2H C55H 121.2(8) . .
C55H C2H C1H 106.7(7) . .
C2H C3H C4H 120.2(8) . .
C2H C3H C60H 119.2(8) . .
C60H C3H C4H 108.6(7) . .
C5H C4H C3H 120.6(8) . .
C5H C4H C36H 120.6(7) . .
C36H C4H C3H 107.8(7) . .
C4H C5H C6H 119.1(8) . .
C4H C5H C39H 119.5(7) . .
C39H C5H C6H 108.3(7) . .
C1H C6H C5H 120.4(8) . .
C1H C6H C7H 120.3(7) . .
C7H C6H C5H 107.5(8) . .
C8H C7H C6H 120.0(8) . .
C8H C7H C40H 120.9(7) . .
C40H C7H C6H 107.2(7) . .
C7H C8H C9H 119.5(6) . .
C7H C8H C48H 119.2(7) . .
C48H C8H C9H 108.3(6) . .
C10H C9H C8H 119.2(6) . .
C10H C9H C13H 121.7(7) . .
C13H C9H C8H 107.8(6) . .
C1H C10H C11H 108.6(7) . .
C9H C10H C1H 120.1(8) . .
C9H C10H C11H 118.4(7) . .
C12H C11H C10H 119.8(6) . .
C12H C11H C55H 119.4(8) . .
C55H C11H C10H 108.2(8) . .
C11H C12H C58H 120.3(6) . .
C11H C12H C59H 120.8(7) . .
C59H C12H C58H 106.8(7) . .
C9H C13H C14H 108.9(6) . .
C59H C13H C9H 120.2(6) . .
C59H C13H C14H 118.8(6) . .
C15H C14H C13H 120.4(6) . .
C15H C14H C48H 120.2(6) . .
C48H C14H C13H 106.6(6) . .
C14H C15H C16H 119.9(6) . .
C14H C15H C49H 120.0(6) . .
C16H C15H C49H 108.6(6) . .
C15H C16H C21H 108.4(7) . .
C17H C16H C15H 119.4(6) . .
C17H C16H C21H 120.4(6) . .
C16H C17H C18H 117.7(7) . .
C16H C17H C59H 121.9(6) . .
C59H C17H C18H 107.7(6) . .
C19H C18H C17H 119.6(7) . .
C19H C18H C58H 121.0(6) . .
C58H C18H C17H 107.6(7) . .
C18H C19H C20H 121.9(6) . .
C18H C19H C57H 118.3(7) . .
C20H C19H C57H 108.0(7) . .
C19H C20H C25H 108.6(6) . .
C21H C20H C19H 119.4(7) . .
C21H C20H C25H 120.2(8) . .
C16H C21H C22H 106.6(6) . .
C20H C21H C16H 121.0(7) . .
C20H C21H C22H 119.9(7) . .
C23H C22H C21H 120.0(7) . .
C23H C22H C49H 119.6(7) . .
C49H C22H C21H 108.5(7) . .
C22H C23H C24H 120.3(8) . .
C22H C23H C44H 120.9(7) . .
C44H C23H C24H 107.2(6) . .
C25H C24H C23H 119.7(7) . .
C25H C24H C29H 119.8(6) . .
C29H C24H C23H 108.3(8) . .
C24H C25H C20H 120.0(7) . .
C24H C25H C26H 119.5(6) . .
C26H C25H C20H 108.1(7) . .
C25H C26H C57H 107.1(6) . .
C27H C26H C25H 121.2(7) . .
C27H C26H C57H 119.5(6) . .
C26H C27H C28H 118.7(6) . .
C26H C27H C56H 119.9(6) . .
C56H C27H C28H 110.1(5) . .
C27H C28H C33H 107.3(5) . .
C29H C28H C27H 119.5(6) . .
C29H C28H C33H 120.8(6) . .
C24H C29H C30H 108.2(6) . .
C28H C29H C24H 121.3(7) . .
C28H C29H C30H 119.3(6) . .
C29H C30H C44H 108.0(7) . .
C31H C30H C29H 120.4(6) . .
C31H C30H C44H 118.3(7) . .
C30H C31H C32H 119.6(7) . .
C30H C31H C43H 121.0(6) . .
C32H C31H C43H 107.1(6) . .
C31H C32H C37H 109.2(6) . .
C33H C32H C31H 120.3(6) . .
C33H C32H C37H 118.5(6) . .
C28H C33H C34H 107.4(6) . .
C32H C33H C28H 119.6(5) . .
C32H C33H C34H 121.0(6) . .
C35H C34H C33H 119.5(6) . .
C35H C34H C56H 119.9(6) . .
C56H C34H C33H 108.0(5) . .
C34H C35H C36H 119.6(6) . .
C34H C35H C60H 119.9(6) . .
C60H C35H C36H 109.0(6) . .
C4H C36H C35H 107.7(7) . .
C37H C36H C4H 120.2(6) . .
C37H C36H C35H 120.0(6) . .
C32H C37H C38H 107.7(6) . .
C36H C37H C32H 121.4(6) . .
C36H C37H C38H 119.1(7) . .
C39H C38H C37H 119.7(7) . .
C39H C38H C43H 120.8(6) . .
C43H C38H C37H 107.6(7) . .
C5H C39H C40H 107.9(8) . .
C38H C39H C5H 120.9(6) . .
C38H C39H C40H 119.3(7) . .
C7H C40H C39H 108.9(7) . .
C41H C40H C7H 119.2(6) . .
C41H C40H C39H 120.3(8) . .
C40H C41H C42H 120.2(6) . .
C40H C41H C47H 121.6(7) . .
C47H C41H C42H 105.6(7) . .
C43H C42H C41H 118.6(7) . .
C43H C42H C45H 121.5(7) . .
C45H C42H C41H 107.5(6) . .
C38H C43H C31H 108.3(5) . .
C42H C43H C31H 118.7(7) . .
C42H C43H C38H 120.8(8) . .
C23H C44H C30H 108.2(7) . .
C45H C44H C23H 121.0(7) . .
C45H C44H C30H 119.7(7) . .
C42H C45H C46H 109.0(7) . .
C44H C45H C42H 120.8(6) . .
C44H C45H C46H 118.3(7) . .
C47H C46H C45H 108.3(6) . .
C49H C46H C45H 120.0(7) . .
C49H C46H C47H 120.0(6) . .
C46H C47H C41H 109.6(6) . .
C48H C47H C41H 118.8(6) . .
C48H C47H C46H 120.3(6) . .
C14H C48H C8H 108.4(6) . .
C47H C48H C8H 120.3(6) . .
C47H C48H C14H 119.7(6) . .
C22H C49H C15H 107.8(6) . .
C46H C49H C15H 119.9(6) . .
C46H C49H C22H 120.2(7) . .
C54H C50H C51H 108.2(6) . .
C58H C50H C51H 118.0(7) . .
C58H C50H C54H 121.7(8) . .
C52H C51H C50H 105.6(7) . .
C57H C51H C50H 120.5(6) . .
C57H C51H C52H 121.1(7) . .
C53H C52H C51H 109.2(6) . .
C56H C52H C51H 119.1(6) . .
C56H C52H C53H 120.1(6) . .
C54H C53H C52H 108.6(6) . .
C60H C53H C52H 119.2(6) . .
C60H C53H C54H 119.9(7) . .
C53H C54H C50H 108.4(7) . .
C55H C54H C50H 120.2(6) . .
C55H C54H C53H 119.5(7) . .
C2H C55H C11H 108.8(8) . .
C54H C55H C2H 119.9(7) . .
C54H C55H C11H 119.7(8) . .
C27H C56H C34H 107.1(5) . .
C52H C56H C27H 120.4(5) . .
C52H C56H C34H 120.3(6) . .
C26H C57H C19H 108.1(6) . .
C51H C57H C19H 120.9(7) . .
C51H C57H C26H 119.9(6) . .
C18H C58H C12H 108.0(6) . .
C50H C58H C12H 118.7(8) . .
C50H C58H C18H 121.2(8) . .
C13H C59H C12H 119.0(7) . .
C13H C59H C17H 119.6(7) . .
C17H C59H C12H 110.0(6) . .
C35H C60H C3H 106.9(7) . .
C53H C60H C3H 120.3(7) . .
C53H C60H C35H 120.5(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1C O1C 1.482(4) .
P1C C1C 1.750(5) .
P1C C7C 1.749(5) .
P1C C13C 1.748(5) .
C1C C2C 1.394(7) .
C1C C6C 1.385(6) .
O2C C2C 1.391(5) .
O2C C8C 1.397(6) .
C2C C3C 1.387(7) .
O3C C12C 1.394(6) .
O3C C14C 1.394(5) .
C3C H3C 0.9500 .
C3C C4C 1.395(6) .
O4C C6C 1.396(6) .
O4C C18C 1.409(6) .
C4C H4C 0.9500 .
C4C C5C 1.391(8) .
C5C H5C 0.9500 .
C5C C6C 1.388(7) .
C7C C8C 1.392(7) .
C7C C12C 1.400(7) .
C8C C9C 1.392(6) .
C9C H9C 0.9500 .
C9C C10C 1.389(8) .
C10C H10C 0.9500 .
C10C C11C 1.392(9) .
C11C H11C 0.9500 .
C11C C12C 1.388(6) .
C13C C14C 1.402(7) .
C13C C18C 1.388(6) .
C14C C15C 1.382(7) .
C15C H15C 0.9500 .
C15C C16C 1.385(7) .
C16C H16C 0.9500 .
C16C C17C 1.398(8) .
C17C H17C 0.9500 .
C17C C18C 1.364(7) .
P1B O1B 1.483(3) .
P1B C1B 1.747(5) .
P1B C7B 1.752(5) .
P1B C13B 1.754(4) .
C1B C2B 1.395(7) .
C1B C6B 1.401(7) .
O2B C2B 1.395(6) .
O2B C12B 1.397(6) .
C2B C3B 1.383(7) .
O3B C6B 1.398(5) .
O3B C14B 1.402(5) .
C3B H3B 0.9500 .
C3B C4B 1.390(8) .
O4B C8B 1.399(6) .
O4B C18B 1.399(6) .
C4B H4B 0.9500 .
C4B C5B 1.397(7) .
C5B H5B 0.9500 .
C5B C6B 1.379(7) .
C7B C8B 1.396(6) .
C7B C12B 1.395(7) .
C8B C9B 1.383(7) .
C9B H9B 0.9500 .
C9B C10B 1.398(8) .
C10B H10B 0.9500 .
C10B C11B 1.396(7) .
C11B H11B 0.9500 .
C11B C12B 1.376(7) .
C13B C14B 1.382(7) .
C13B C18B 1.405(6) .
C14B C15B 1.382(6) .
C15B H15B 0.9500 .
C15B C16B 1.388(7) .
C16B H16B 0.9500 .
C16B C17B 1.402(7) .
C17B H17B 0.9500 .
C17B C18B 1.387(6) .
P1A O1A 1.475(4) .
P1A C1A 1.751(5) .
P1A C7A 1.752(5) .
P1A C13A 1.742(5) .
C1A C2A 1.390(7) .
C1A C6A 1.394(7) .
O2A C2A 1.398(6) .
O2A C18A 1.397(5) .
C2A C3A 1.391(7) .
O3A C6A 1.405(6) .
O3A C8A 1.407(6) .
C3A H3A 0.9500 .
C3A C4A 1.388(8) .
O4A C12A 1.391(6) .
O4A C14A 1.399(5) .
C4A H4A 0.9500 .
C4A C5A 1.402(8) .
C5A H5A 0.9500 .
C5A C6A 1.383(7) .
C7A C8A 1.396(7) .
C7A C12A 1.393(7) .
C8A C9A 1.380(7) .
C9A H9A 0.9500 .
C9A C10A 1.407(8) .
C10A H10A 0.9500 .
C10A C11A 1.380(8) .
C11A H11A 0.9500 .
C11A C12A 1.391(7) .
C13A C14A 1.392(6) .
C13A C18A 1.401(6) .
C14A C15A 1.381(7) .
C15A H15A 0.9500 .
C15A C16A 1.406(7) .
C16A H16A 0.9500 .
C16A C17A 1.403(7) .
C17A H17A 0.9500 .
C17A C18A 1.371(7) .
C1E C2E 1.401(6) .
C1E C6E 1.400(7) .
C1E C7E 1.501(7) .
C2E C3E 1.393(8) .
C2E C8E 1.508(8) .
C3E H3E 0.9500 .
C3E C4E 1.401(8) .
C4E H4E 0.9500 .
C4E C5E 1.362(8) .
C5E H5E 0.9500 .
C5E C6E 1.388(8) .
C6E H6E 0.9500 .
C7E H7EA 0.9800 .
C7E H7EB 0.9800 .
C7E H7EC 0.9800 .
C8E H8EA 0.9800 .
C8E H8EB 0.9800 .
C8E H8EC 0.9800 .
C1D C2D 1.407(8) .
C1D C6D 1.387(9) .
C1D C7D 1.502(9) .
C2D C3D 1.407(8) .
C2D C8D 1.494(9) .
C3D H3D 0.9500 .
C3D C4D 1.373(8) .
C4D H4D 0.9500 .
C4D C5D 1.399(8) .
C5D H5D 0.9500 .
C5D C6D 1.380(9) .
C6D H6D 0.9500 .
C7D H7DA 0.9800 .
C7D H7DB 0.9800 .
C7D H7DC 0.9800 .
C8D H8DA 0.9800 .
C8D H8DB 0.9800 .
C8D H8DC 0.9800 .
C1F C2F 1.363(12) .
C1F C6F 1.304(13) .
C1F C7F 1.540(13) .
C2F H2F 0.9500 .
C2F C3F 1.394(13) .
C3F H3F 0.9500 .
C3F C4F 1.11(2) .
C4F H4F 0.9500 .
C4F C5F 1.72(2) .
C5F H5F 0.9500 .
C5F C6F 1.453(16) .
C6F C8F 1.501(17) .
C7F H7FA 0.9800 .
C7F H7FB 0.9800 .
C7F H7FC 0.9800 .
C8F H8FA 0.9800 .
C8F H8FB 0.9800 .
C8F H8FC 0.9800 .
C1G C2G 1.53(2) .
C1G C7G 0.82(2) .
C2G C6G 1.402(17) .
C2G C7G 1.44(2) .
C3G C5G 1.51(2) .
C1H C2H 1.498(13) .
C1H C6H 1.357(14) .
C1H C10H 1.440(12) .
C2H C3H 1.369(12) .
C2H C55H 1.451(13) .
C3H C4H 1.451(12) .
C3H C60H 1.454(11) .
C4H C5H 1.395(11) .
C4H C36H 1.432(11) .
C5H C6H 1.480(12) .
C5H C39H 1.410(13) .
C6H C7H 1.451(12) .
C7H C8H 1.393(10) .
C7H C40H 1.439(13) .
C8H C9H 1.460(11) .
C8H C48H 1.455(10) .
C9H C10H 1.398(10) .
C9H C13H 1.428(10) .
C10H C11H 1.456(13) .
C11H C12H 1.403(12) .
C11H C55H 1.448(11) .
C12H C58H 1.483(12) .
C12H C59H 1.446(10) .
C13H C14H 1.486(10) .
C13H C59H 1.398(10) .
C14H C15H 1.380(10) .
C14H C48H 1.449(9) .
C15H C16H 1.442(9) .
C15H C49H 1.441(10) .
C16H C17H 1.397(11) .
C16H C21H 1.444(11) .
C17H C18H 1.483(9) .
C17H C59H 1.422(11) .
C18H C19H 1.387(12) .
C18H C58H 1.444(11) .
C19H C20H 1.408(12) .
C19H C57H 1.463(9) .
C20H C21H 1.381(9) .
C20H C25H 1.461(11) .
C21H C22H 1.472(11) .
C22H C23H 1.363(11) .
C22H C49H 1.432(10) .
C23H C24H 1.478(11) .
C23H C44H 1.421(11) .
C24H C25H 1.380(13) .
C24H C29H 1.423(11) .
C25H C26H 1.442(10) .
C26H C27H 1.394(9) .
C26H C57H 1.451(11) .
C27H C28H 1.441(10) .
C27H C56H 1.434(9) .
C28H C29H 1.393(9) .
C28H C33H 1.459(9) .
C29H C30H 1.436(12) .
C30H C31H 1.416(11) .
C30H C44H 1.462(10) .
C31H C32H 1.442(9) .
C31H C43H 1.461(12) .
C32H C33H 1.387(10) .
C32H C37H 1.444(10) .
C33H C34H 1.468(9) .
C34H C35H 1.385(10) .
C34H C56H 1.459(8) .
C35H C36H 1.457(9) .
C35H C60H 1.433(11) .
C36H C37H 1.383(10) .
C37H C38H 1.456(9) .
C38H C39H 1.393(12) .
C38H C43H 1.452(12) .
C39H C40H 1.463(9) .
C40H C41H 1.370(12) .
C41H C42H 1.508(12) .
C41H C47H 1.454(9) .
C42H C43H 1.370(9) .
C42H C45H 1.434(11) .
C44H C45H 1.391(11) .
C45H C46H 1.442(10) .
C46H C47H 1.432(10) .
C46H C49H 1.398(10) .
C47H C48H 1.387(10) .
C50H C51H 1.504(12) .
C50H C54H 1.446(12) .
C50H C58H 1.358(10) .
C51H C52H 1.459(9) .
C51H C57H 1.346(11) .
C52H C53H 1.452(10) .
C52H C56H 1.372(10) .
C53H C54H 1.441(10) .
C53H C60H 1.407(11) .
C54H C55H 1.399(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
P1C C1C C2C O2C 6.5(6) . . . .
P1C C1C C2C C3C -175.3(4) . . . .
P1C C1C C6C O4C -4.5(6) . . . .
P1C C1C C6C C5C 175.4(4) . . . .
P1C C7C C8C O2C -4.0(6) . . . .
P1C C7C C8C C9C 178.2(3) . . . .
P1C C7C C12C O3C 3.3(6) . . . .
P1C C7C C12C C11C -177.6(3) . . . .
P1C C13C C14C O3C -5.4(6) . . . .
P1C C13C C14C C15C 175.9(4) . . . .
P1C C13C C18C O4C 5.6(6) . . . .
P1C C13C C18C C17C -175.1(4) . . . .
O1C P1C C1C C2C 93.6(4) . . . .
O1C P1C C1C C6C -93.2(4) . . . .
O1C P1C C7C C8C -94.9(4) . . . .
O1C P1C C7C C12C 94.7(4) . . . .
O1C P1C C13C C14C -94.3(4) . . . .
O1C P1C C13C C18C 93.3(4) . . . .
C1C P1C C7C C8C 35.7(4) . . . .
C1C P1C C7C C12C -134.8(4) . . . .
C1C P1C C13C C14C 135.7(4) . . . .
C1C P1C C13C C18C -36.7(4) . . . .
C1C C2C C3C C4C -4.1(7) . . . .
O2C C2C C3C C4C 174.2(4) . . . .
O2C C8C C9C C10C -174.3(4) . . . .
C2C C1C C6C O4C 168.5(4) . . . .
C2C C1C C6C C5C -11.5(7) . . . .
C2C O2C C8C C7C -36.9(6) . . . .
C2C O2C C8C C9C 140.9(4) . . . .
C2C C3C C4C C5C -3.5(7) . . . .
O3C C14C C15C C16C -175.2(4) . . . .
C3C C4C C5C C6C 3.7(7) . . . .
C4C C5C C6C C1C 3.7(7) . . . .
C4C C5C C6C O4C -176.3(4) . . . .
C6C C1C C2C O2C -166.6(4) . . . .
C6C C1C C2C C3C 11.7(7) . . . .
C6C O4C C18C C13C 36.5(6) . . . .
C6C O4C C18C C17C -142.9(4) . . . .
C7C P1C C1C C2C -36.9(4) . . . .
C7C P1C C1C C6C 136.3(4) . . . .
C7C P1C C13C C14C 36.0(4) . . . .
C7C P1C C13C C18C -136.3(4) . . . .
C7C C8C C9C C10C 3.5(7) . . . .
C8C O2C C2C C1C 35.6(6) . . . .
C8C O2C C2C C3C -142.7(5) . . . .
C8C C7C C12C O3C -167.0(4) . . . .
C8C C7C C12C C11C 12.1(6) . . . .
C8C C9C C10C C11C 3.8(7) . . . .
C9C C10C C11C C12C -3.2(7) . . . .
C10C C11C C12C O3C 174.4(4) . . . .
C10C C11C C12C C7C -4.7(6) . . . .
C12C O3C C14C C13C -36.2(6) . . . .
C12C O3C C14C C15C 142.5(5) . . . .
C12C C7C C8C O2C 166.3(4) . . . .
C12C C7C C8C C9C -11.5(6) . . . .
C13C P1C C1C C2C -137.2(4) . . . .
C13C P1C C1C C6C 36.1(4) . . . .
C13C P1C C7C C8C 135.4(4) . . . .
C13C P1C C7C C12C -35.0(4) . . . .
C13C C14C C15C C16C 3.6(7) . . . .
C14C O3C C12C C7C 37.4(6) . . . .
C14C O3C C12C C11C -141.7(4) . . . .
C14C C13C C18C O4C -166.7(4) . . . .
C14C C13C C18C C17C 12.6(7) . . . .
C14C C15C C16C C17C 3.9(7) . . . .
C15C C16C C17C C18C -3.3(7) . . . .
C16C C17C C18C O4C 174.3(4) . . . .
C16C C17C C18C C13C -5.0(7) . . . .
C18C O4C C6C C1C -37.2(6) . . . .
C18C O4C C6C C5C 142.8(4) . . . .
C18C C13C C14C O3C 167.0(4) . . . .
C18C C13C C14C C15C -11.8(7) . . . .
P1B C1B C2B O2B -1.9(5) . . . .
P1B C1B C2B C3B -179.6(3) . . . .
P1B C1B C6B O3B 2.2(5) . . . .
P1B C1B C6B C5B -179.9(3) . . . .
P1B C7B C8B O4B -5.7(5) . . . .
P1B C7B C8B C9B 176.4(3) . . . .
P1B C7B C12B O2B 5.1(5) . . . .
P1B C7B C12B C11B -176.5(3) . . . .
P1B C13B C14B O3B -5.7(5) . . . .
P1B C13B C14B C15B 175.5(3) . . . .
P1B C13B C18B O4B 6.3(5) . . . .
P1B C13B C18B C17B -175.4(3) . . . .
O1B P1B C1B C2B -95.7(4) . . . .
O1B P1B C1B C6B 95.7(4) . . . .
O1B P1B C7B C8B -93.0(4) . . . .
O1B P1B C7B C12B 94.8(4) . . . .
O1B P1B C13B C14B -94.1(4) . . . .
O1B P1B C13B C18B 92.5(4) . . . .
C1B P1B C7B C8B 136.4(3) . . . .
C1B P1B C7B C12B -35.8(4) . . . .
C1B P1B C13B C14B 36.4(4) . . . .
C1B P1B C13B C18B -136.9(3) . . . .
C1B C2B C3B C4B 3.3(6) . . . .
O2B C2B C3B C4B -174.4(3) . . . .
C2B C1B C6B O3B -166.4(3) . . . .
C2B C1B C6B C5B 11.5(6) . . . .
C2B O2B C12B C7B 37.2(5) . . . .
C2B O2B C12B C11B -141.2(4) . . . .
C2B C3B C4B C5B 4.2(6) . . . .
O3B C14B C15B C16B -175.3(4) . . . .
C3B C4B C5B C6B -3.7(6) . . . .
O4B C8B C9B C10B -174.4(4) . . . .
C4B C5B C6B C1B -4.2(6) . . . .
C4B C5B C6B O3B 173.7(3) . . . .
C6B C1B C2B O2B 166.6(3) . . . .
C6B C1B C2B C3B -11.1(6) . . . .
C6B O3B C14B C13B -37.0(5) . . . .
C6B O3B C14B C15B 141.8(4) . . . .
C7B P1B C1B C2B 34.2(3) . . . .
C7B P1B C1B C6B -134.4(3) . . . .
C7B P1B C13B C14B 136.5(3) . . . .
C7B P1B C13B C18B -36.9(4) . . . .
C7B C8B C9B C10B 3.5(6) . . . .
C8B O4B C18B C13B 35.0(5) . . . .
C8B O4B C18B C17B -143.3(4) . . . .
C8B C7B C12B O2B -166.9(4) . . . .
C8B C7B C12B C11B 11.5(6) . . . .
C8B C9B C10B C11B 4.6(6) . . . .
C9B C10B C11B C12B -4.7(6) . . . .
C10B C11B C12B O2B 175.1(4) . . . .
C10B C11B C12B C7B -3.3(6) . . . .
C12B O2B C2B C1B -39.0(5) . . . .
C12B O2B C2B C3B 138.8(4) . . . .
C12B C7B C8B O4B 166.4(4) . . . .
C12B C7B C8B C9B -11.5(6) . . . .
C13B P1B C1B C2B 134.1(3) . . . .
C13B P1B C1B C6B -34.5(3) . . . .
C13B P1B C7B C8B 36.7(4) . . . .
C13B P1B C7B C12B -135.5(3) . . . .
C13B C14B C15B C16B 3.5(6) . . . .
C14B O3B C6B C1B 38.9(5) . . . .
C14B O3B C6B C5B -139.1(4) . . . .
C14B C13B C18B O4B -167.0(4) . . . .
C14B C13B C18B C17B 11.3(6) . . . .
C14B C15B C16B C17B 4.3(7) . . . .
C15B C16B C17B C18B -4.2(7) . . . .
C16B C17B C18B O4B 174.8(4) . . . .
C16B C17B C18B C13B -3.5(6) . . . .
C18B O4B C8B C7B -35.3(5) . . . .
C18B O4B C8B C9B 142.5(4) . . . .
C18B C13B C14B O3B 167.5(4) . . . .
C18B C13B C14B C15B -11.3(6) . . . .
P1A C1A C2A O2A -5.0(6) . . . .
P1A C1A C2A C3A 176.4(4) . . . .
P1A C1A C6A O3A 4.4(6) . . . .
P1A C1A C6A C5A -176.6(4) . . . .
P1A C7A C8A O3A -1.9(6) . . . .
P1A C7A C8A C9A -179.0(4) . . . .
P1A C7A C12A O4A -0.6(6) . . . .
P1A C7A C12A C11A 177.2(4) . . . .
P1A C13A C14A O4A -13.0(6) . . . .
P1A C13A C14A C15A 168.1(4) . . . .
P1A C13A C18A O2A 10.0(6) . . . .
P1A C13A C18A C17A -169.3(4) . . . .
O1A P1A C1A C2A -93.4(4) . . . .
O1A P1A C1A C6A 94.1(4) . . . .
O1A P1A C7A C8A -95.0(4) . . . .
O1A P1A C7A C12A 97.1(4) . . . .
O1A P1A C13A C14A -91.0(4) . . . .
O1A P1A C13A C18A 91.0(4) . . . .
C1A P1A C7A C8A 35.5(4) . . . .
C1A P1A C7A C12A -132.4(4) . . . .
C1A P1A C13A C14A 139.7(4) . . . .
C1A P1A C13A C18A -38.3(4) . . . .
C1A C2A C3A C4A 4.6(7) . . . .
O2A C2A C3A C4A -174.0(4) . . . .
C2A C1A C6A O3A -168.0(4) . . . .
C2A C1A C6A C5A 11.0(7) . . . .
C2A O2A C18A C13A 31.0(6) . . . .
C2A O2A C18A C17A -149.7(5) . . . .
C2A C3A C4A C5A 2.1(8) . . . .
O3A C8A C9A C10A -171.6(4) . . . .
C3A C4A C5A C6A -2.4(8) . . . .
O4A C14A C15A C16A -173.5(4) . . . .
C4A C5A C6A C1A -4.1(7) . . . .
C4A C5A C6A O3A 174.9(4) . . . .
C6A C1A C2A O2A 167.4(4) . . . .
C6A C1A C2A C3A -11.2(7) . . . .
C6A O3A C8A C7A -40.8(6) . . . .
C6A O3A C8A C9A 136.3(5) . . . .
C7A P1A C1A C2A 135.7(4) . . . .
C7A P1A C1A C6A -36.8(4) . . . .
C7A P1A C13A C14A 39.8(4) . . . .
C7A P1A C13A C18A -138.3(4) . . . .
C7A C8A C9A C10A 5.5(7) . . . .
C8A O3A C6A C1A 39.4(6) . . . .
C8A O3A C6A C5A -139.6(5) . . . .
C8A C7A C12A O4A -168.3(4) . . . .
C8A C7A C12A C11A 9.6(7) . . . .
C8A C9A C10A C11A 1.8(8) . . . .
C9A C10A C11A C12A -3.4(8) . . . .
C10A C11A C12A O4A 175.7(4) . . . .
C10A C11A C12A C7A -2.3(7) . . . .
C12A O4A C14A C13A -30.3(6) . . . .
C12A O4A C14A C15A 148.7(5) . . . .
C12A C7A C8A O3A 165.7(4) . . . .
C12A C7A C8A C9A -11.4(7) . . . .
C13A P1A C1A C2A 35.7(4) . . . .
C13A P1A C1A C6A -136.8(4) . . . .
C13A P1A C7A C8A 135.0(4) . . . .
C13A P1A C7A C12A -32.9(4) . . . .
C13A C14A C15A C16A 5.4(7) . . . .
C14A O4A C12A C7A 37.8(6) . . . .
C14A O4A C12A C11A -140.0(4) . . . .
C14A C13A C18A O2A -168.0(4) . . . .
C14A C13A C18A C17A 12.7(7) . . . .
C14A C15A C16A C17A 4.0(7) . . . .
C15A C16A C17A C18A -5.1(7) . . . .
C16A C17A C18A O2A 177.5(4) . . . .
C16A C17A C18A C13A -3.2(7) . . . .
C18A O2A C2A C1A -33.9(6) . . . .
C18A O2A C2A C3A 144.7(4) . . . .
C18A C13A C14A O4A 165.0(4) . . . .
C18A C13A C14A C15A -13.9(7) . . . .
C1E C2E C3E C4E 0.8(8) . . . .
C2E C1E C6E C5E 2.1(8) . . . .
C2E C3E C4E C5E 1.1(9) . . . .
C3E C4E C5E C6E -1.5(9) . . . .
C4E C5E C6E C1E -0.1(9) . . . .
C6E C1E C2E C3E -2.4(7) . . . .
C6E C1E C2E C8E 176.8(5) . . . .
C7E C1E C2E C3E 176.7(5) . . . .
C7E C1E C2E C8E -4.1(8) . . . .
C7E C1E C6E C5E -177.0(5) . . . .
C8E C2E C3E C4E -178.3(5) . . . .
C1D C2D C3D C4D -0.1(7) . . . .
C2D C1D C6D C5D -1.0(7) . . . .
C2D C3D C4D C5D -0.4(7) . . . .
C3D C4D C5D C6D 0.2(7) . . . .
C4D C5D C6D C1D 0.5(7) . . . .
C6D C1D C2D C3D 0.8(6) . . . .
C6D C1D C2D C8D -178.8(4) . . . .
C7D C1D C2D C3D -179.1(5) . . . .
C7D C1D C2D C8D 1.3(7) . . . .
C7D C1D C6D C5D 178.9(5) . . . .
C8D C2D C3D C4D 179.5(5) . . . .
C1F C2F C3F C4F 1(2) . . . .
C2F C1F C6F C5F 0.7(16) . . . .
C2F C1F C6F C8F 179.8(13) . . . .
C2F C3F C4F C5F -1(2) . . . .
C3F C4F C5F C6F 1(2) . . . .
C4F C5F C6F C1F -0.7(16) . . . .
C4F C5F C6F C8F -179.9(13) . . . .
C6F C1F C2F C3F -0.8(16) . . . .
C7F C1F C2F C3F 173.4(10) . . . .
C7F C1F C6F C5F -173.4(10) . . . .
C7F C1F C6F C8F 5.7(17) . . . .
C6G C2G C7G C1G 34(2) . . . .
C7G C1G C2G C6G -151(2) . . . .
C1H C2H C3H C4H 0.1(9) . . . .
C1H C2H C3H C60H 138.6(6) . . . .
C1H C2H C55H C11H 0.3(7) . . . .
C1H C2H C55H C54H -142.7(6) . . . .
C1H C6H C7H C8H -0.3(10) . . . .
C1H C6H C7H C40H 142.9(7) . . . .
C1H C10H C11H C12H 141.4(6) . . . .
C1H C10H C11H C55H -0.3(7) . . . .
C2H C1H C6H C5H 0.5(9) . . . .
C2H C1H C6H C7H -137.9(7) . . . .
C2H C1H C10H C9H 141.2(6) . . . .
C2H C1H C10H C11H 0.5(7) . . . .
C2H C3H C4H C5H -1.1(9) . . . .
C2H C3H C4H C36H 143.1(6) . . . .
C2H C3H C60H C35H -143.5(6) . . . .
C2H C3H C60H C53H -1.1(8) . . . .
C3H C2H C55H C11H 142.5(6) . . . .
C3H C2H C55H C54H -0.5(9) . . . .
C3H C4H C5H C6H 1.7(9) . . . .
C3H C4H C5H C39H 138.5(7) . . . .
C3H C4H C36H C35H -0.5(6) . . . .
C3H C4H C36H C37H -143.1(5) . . . .
C4H C3H C60H C35H -0.7(6) . . . .
C4H C3H C60H C53H 141.7(5) . . . .
C4H C5H C6H C1H -1.4(9) . . . .
C4H C5H C6H C7H 141.6(6) . . . .
C4H C5H C39H C38H 0.8(9) . . . .
C4H C5H C39H C40H -141.6(6) . . . .
C4H C36H C37H C32H 137.8(6) . . . .
C4H C36H C37H C38H -0.6(8) . . . .
C5H C4H C36H C35H 143.7(6) . . . .
C5H C4H C36H C37H 1.1(8) . . . .
C5H C6H C7H C8H -143.3(7) . . . .
C5H C6H C7H C40H -0.2(7) . . . .
C5H C39H C40H C7H 0.6(7) . . . .
C5H C39H C40H C41H 143.5(6) . . . .
C6H C1H C2H C3H 0.1(9) . . . .
C6H C1H C2H C55H 143.0(6) . . . .
C6H C1H C10H C9H -1.7(10) . . . .
C6H C1H C10H C11H -142.5(7) . . . .
C6H C5H C39H C38H 141.7(6) . . . .
C6H C5H C39H C40H -0.6(7) . . . .
C6H C7H C8H C9H 0.8(9) . . . .
C6H C7H C8H C48H 137.7(7) . . . .
C6H C7H C40H C39H -0.2(7) . . . .
C6H C7H C40H C41H -143.6(6) . . . .
C7H C8H C9H C10H -1.8(9) . . . .
C7H C8H C9H C13H 142.4(6) . . . .
C7H C8H C48H C14H -142.6(6) . . . .
C7H C8H C48H C47H 0.4(9) . . . .
C7H C40H C41H C42H 138.6(7) . . . .
C7H C40H C41H C47H 2.3(9) . . . .
C8H C7H C40H C39H 142.6(6) . . . .
C8H C7H C40H C41H -0.9(10) . . . .
C8H C9H C10H C1H 2.3(9) . . . .
C8H C9H C10H C11H 139.3(7) . . . .
C8H C9H C13H C14H -0.8(6) . . . .
C8H C9H C13H C59H -142.9(6) . . . .
C9H C8H C48H C14H -1.4(6) . . . .
C9H C8H C48H C47H 141.6(6) . . . .
C9H C10H C11H C12H -0.1(10) . . . .
C9H C10H C11H C55H -141.8(6) . . . .
C9H C13H C14H C15H -141.6(5) . . . .
C9H C13H C14H C48H -0.1(6) . . . .
C9H C13H C59H C12H -0.7(9) . . . .
C9H C13H C59H C17H 139.1(6) . . . .
C10H C1H C2H C3H -143.3(6) . . . .
C10H C1H C2H C55H -0.5(7) . . . .
C10H C1H C6H C5H 139.1(7) . . . .
C10H C1H C6H C7H 0.7(10) . . . .
C10H C9H C13H C14H 142.3(6) . . . .
C10H C9H C13H C59H 0.3(9) . . . .
C10H C11H C12H C58H -137.9(7) . . . .
C10H C11H C12H C59H -0.4(10) . . . .
C10H C11H C55H C2H 0.0(7) . . . .
C10H C11H C55H C54H 143.1(7) . . . .
C11H C12H C58H C18H 142.3(6) . . . .
C11H C12H C58H C50H -0.6(9) . . . .
C11H C12H C59H C13H 0.8(9) . . . .
C11H C12H C59H C17H -142.6(7) . . . .
C12H C11H C55H C2H -141.9(7) . . . .
C12H C11H C55H C54H 1.2(10) . . . .
C13H C9H C10H C1H -136.9(7) . . . .
C13H C9H C10H C11H 0.1(9) . . . .
C13H C14H C15H C16H -1.6(8) . . . .
C13H C14H C15H C49H 137.6(5) . . . .
C13H C14H C48H C8H 0.9(6) . . . .
C13H C14H C48H C47H -142.3(5) . . . .
C14H C13H C59H C12H -139.2(6) . . . .
C14H C13H C59H C17H 0.7(8) . . . .
C14H C15H C16H C17H 0.3(8) . . . .
C14H C15H C16H C21H 143.5(5) . . . .
C14H C15H C49H C22H -143.5(5) . . . .
C14H C15H C49H C46H -1.0(7) . . . .
C15H C14H C48H C8H 142.5(5) . . . .
C15H C14H C48H C47H -0.7(7) . . . .
C15H C16H C17H C18H 138.5(6) . . . .
C15H C16H C17H C59H 1.5(8) . . . .
C15H C16H C21H C20H -141.9(6) . . . .
C15H C16H C21H C22H -0.1(6) . . . .
C16H C15H C49H C22H -0.2(6) . . . .
C16H C15H C49H C46H 142.2(5) . . . .
C16H C17H C18H C19H 0.0(8) . . . .
C16H C17H C18H C58H -143.3(6) . . . .
C16H C17H C59H C12H 141.1(6) . . . .
C16H C17H C59H C13H -2.0(8) . . . .
C16H C21H C22H C23H -142.7(6) . . . .
C16H C21H C22H C49H 0.0(6) . . . .
C17H C16H C21H C20H 0.9(8) . . . .
C17H C16H C21H C22H 142.7(5) . . . .
C17H C18H C19H C20H -0.2(8) . . . .
C17H C18H C19H C57H -138.7(6) . . . .
C17H C18H C58H C12H 0.7(7) . . . .
C17H C18H C58H C50H 142.5(6) . . . .
C18H C17H C59H C12H 0.5(7) . . . .
C18H C17H C59H C13H -142.6(6) . . . .
C18H C19H C20H C21H 0.8(9) . . . .
C18H C19H C20H C25H -142.2(6) . . . .
C18H C19H C57H C26H 143.5(6) . . . .
C18H C19H C57H C51H -0.3(9) . . . .
C19H C18H C58H C12H -141.9(6) . . . .
C19H C18H C58H C50H -0.1(9) . . . .
C19H C20H C21H C16H -1.1(9) . . . .
C19H C20H C21H C22H -138.0(6) . . . .
C19H C20H C25H C24H 142.2(6) . . . .
C19H C20H C25H C26H 0.4(7) . . . .
C20H C19H C57H C26H -0.2(7) . . . .
C20H C19H C57H C51H -144.0(6) . . . .
C20H C21H C22H C23H -0.4(8) . . . .
C20H C21H C22H C49H 142.3(5) . . . .
C20H C25H C26H C27H 141.6(6) . . . .
C20H C25H C26H C57H -0.5(7) . . . .
C21H C16H C17H C18H -0.3(8) . . . .
C21H C16H C17H C59H -137.3(6) . . . .
C21H C20H C25H C24H -0.5(8) . . . .
C21H C20H C25H C26H -142.3(6) . . . .
C21H C22H C23H C24H -0.3(9) . . . .
C21H C22H C23H C44H 138.2(6) . . . .
C21H C22H C49H C15H 0.2(6) . . . .
C21H C22H C49H C46H -142.2(5) . . . .
C22H C23H C24H C25H 0.6(9) . . . .
C22H C23H C24H C29H 142.8(6) . . . .
C22H C23H C44H C30H -143.8(6) . . . .
C22H C23H C44H C45H 0.0(8) . . . .
C23H C22H C49H C15H 143.0(6) . . . .
C23H C22H C49H C46H 0.7(8) . . . .
C23H C24H C25H C20H -0.2(8) . . . .
C23H C24H C25H C26H 137.4(6) . . . .
C23H C24H C29H C28H -141.6(6) . . . .
C23H C24H C29H C30H 1.7(7) . . . .
C23H C44H C45H C42H -138.5(6) . . . .
C23H C44H C45H C46H 0.2(8) . . . .
C24H C23H C44H C30H -0.6(7) . . . .
C24H C23H C44H C45H 143.2(5) . . . .
C24H C25H C26H C27H -0.4(9) . . . .
C24H C25H C26H C57H -142.6(6) . . . .
C24H C29H C30H C31H -142.4(6) . . . .
C24H C29H C30H C44H -2.1(7) . . . .
C25H C20H C21H C16H 137.7(6) . . . .
C25H C20H C21H C22H 0.8(8) . . . .
C25H C24H C29H C28H 0.6(9) . . . .
C25H C24H C29H C30H 143.9(6) . . . .
C25H C26H C27H C28H 1.4(8) . . . .
C25H C26H C27H C56H -138.8(6) . . . .
C25H C26H C57H C19H 0.5(7) . . . .
C25H C26H C57H C51H 144.7(6) . . . .
C26H C27H C28H C29H -1.3(8) . . . .
C26H C27H C28H C33H -143.7(5) . . . .
C26H C27H C56H C34H 143.5(5) . . . .
C26H C27H C56H C52H 0.9(8) . . . .
C27H C26H C57H C19H -142.4(6) . . . .
C27H C26H C57H C51H 1.8(9) . . . .
C27H C28H C29H C24H 0.3(9) . . . .
C27H C28H C29H C30H -139.1(6) . . . .
C27H C28H C33H C32H 142.8(6) . . . .
C27H C28H C33H C34H -0.3(6) . . . .
C28H C27H C56H C34H 0.3(6) . . . .
C28H C27H C56H C52H -142.3(5) . . . .
C28H C29H C30H C31H 1.8(9) . . . .
C28H C29H C30H C44H 142.1(6) . . . .
C28H C33H C34H C35H 142.4(5) . . . .
C28H C33H C34H C56H 0.5(6) . . . .
C29H C24H C25H C20H -138.1(6) . . . .
C29H C24H C25H C26H -0.5(9) . . . .
C29H C28H C33H C32H 1.0(9) . . . .
C29H C28H C33H C34H -142.1(6) . . . .
C29H C30H C31H C32H -1.0(9) . . . .
C29H C30H C31H C43H 136.6(7) . . . .
C29H C30H C44H C23H 1.6(7) . . . .
C29H C30H C44H C45H -142.7(6) . . . .
C30H C31H C32H C33H 0.1(9) . . . .
C30H C31H C32H C37H 142.1(6) . . . .
C30H C31H C43H C38H -141.5(6) . . . .
C30H C31H C43H C42H 1.3(10) . . . .
C30H C44H C45H C42H 1.2(9) . . . .
C30H C44H C45H C46H 139.9(6) . . . .
C31H C30H C44H C23H 142.9(6) . . . .
C31H C30H C44H C45H -1.4(9) . . . .
C31H C32H C33H C28H -0.1(9) . . . .
C31H C32H C33H C34H 137.9(6) . . . .
C31H C32H C37H C36H -142.0(6) . . . .
C31H C32H C37H C38H 0.5(7) . . . .
C32H C31H C43H C38H 0.6(7) . . . .
C32H C31H C43H C42H 143.4(6) . . . .
C32H C33H C34H C35H -0.1(8) . . . .
C32H C33H C34H C56H -142.0(5) . . . .
C32H C37H C38H C39H -143.3(6) . . . .
C32H C37H C38H C43H -0.1(7) . . . .
C33H C28H C29H C24H 137.6(7) . . . .
C33H C28H C29H C30H -1.8(9) . . . .
C33H C32H C37H C36H 0.8(8) . . . .
C33H C32H C37H C38H 143.3(5) . . . .
C33H C34H C35H C36H 0.7(8) . . . .
C33H C34H C35H C60H -138.6(5) . . . .
C33H C34H C56H C27H -0.4(6) . . . .
C33H C34H C56H C52H 142.2(5) . . . .
C34H C35H C36H C4H -143.1(5) . . . .
C34H C35H C36H C37H -0.5(8) . . . .
C34H C35H C60H C3H 143.5(5) . . . .
C34H C35H C60H C53H 1.1(8) . . . .
C35H C34H C56H C27H -142.1(5) . . . .
C35H C34H C56H C52H 0.5(7) . . . .
C35H C36H C37H C32H -0.2(8) . . . .
C35H C36H C37H C38H -138.6(6) . . . .
C36H C4H C5H C6H -138.0(7) . . . .
C36H C4H C5H C39H -1.2(9) . . . .
C36H C35H C60H C3H 0.4(6) . . . .
C36H C35H C60H C53H -142.0(5) . . . .
C36H C37H C38H C39H 0.2(8) . . . .
C36H C37H C38H C43H 143.4(6) . . . .
C37H C32H C33H C28H -138.7(6) . . . .
C37H C32H C33H C34H -0.7(8) . . . .
C37H C38H C39H C5H -0.3(8) . . . .
C37H C38H C39H C40H 137.9(6) . . . .
C37H C38H C43H C31H -0.3(7) . . . .
C37H C38H C43H C42H -142.1(6) . . . .
C38H C39H C40H C7H -142.5(7) . . . .
C38H C39H C40H C41H 0.4(9) . . . .
C39H C5H C6H C1H -142.5(6) . . . .
C39H C5H C6H C7H 0.5(7) . . . .
C39H C38H C43H C31H 142.4(6) . . . .
C39H C38H C43H C42H 0.6(9) . . . .
C39H C40H C41H C42H -0.6(9) . . . .
C39H C40H C41H C47H -137.0(7) . . . .
C40H C7H C8H C9H -137.3(7) . . . .
C40H C7H C8H C48H -0.5(9) . . . .
C40H C41H C42H C43H 0.8(9) . . . .
C40H C41H C42H C45H -141.9(6) . . . .
C40H C41H C47H C46H 141.4(6) . . . .
C40H C41H C47H C48H -2.3(9) . . . .
C41H C42H C43H C31H -138.8(7) . . . .
C41H C42H C43H C38H -0.7(9) . . . .
C41H C42H C45H C44H 141.6(6) . . . .
C41H C42H C45H C46H -0.4(6) . . . .
C41H C47H C48H C8H 0.9(8) . . . .
C41H C47H C48H C14H 139.8(6) . . . .
C42H C41H C47H C46H -0.3(6) . . . .
C42H C41H C47H C48H -144.0(5) . . . .
C42H C45H C46H C47H 0.2(6) . . . .
C42H C45H C46H C49H 143.3(6) . . . .
C43H C31H C32H C33H -142.6(6) . . . .
C43H C31H C32H C37H -0.6(7) . . . .
C43H C38H C39H C5H -138.6(6) . . . .
C43H C38H C39H C40H -0.4(9) . . . .
C43H C42H C45H C44H 0.3(10) . . . .
C43H C42H C45H C46H -141.8(6) . . . .
C44H C23H C24H C25H -143.0(6) . . . .
C44H C23H C24H C29H -0.7(7) . . . .
C44H C30H C31H C32H -137.3(6) . . . .
C44H C30H C31H C43H 0.2(9) . . . .
C44H C45H C46H C47H -142.9(5) . . . .
C44H C45H C46H C49H 0.2(7) . . . .
C45H C42H C43H C31H -1.5(10) . . . .
C45H C42H C43H C38H 136.6(7) . . . .
C45H C46H C47H C41H 0.1(6) . . . .
C45H C46H C47H C48H 143.2(5) . . . .
C45H C46H C49H C15H -138.4(6) . . . .
C45H C46H C49H C22H -0.6(8) . . . .
C46H C47H C48H C8H -138.8(6) . . . .
C46H C47H C48H C14H 0.1(7) . . . .
C47H C41H C42H C43H 143.2(6) . . . .
C47H C41H C42H C45H 0.5(6) . . . .
C47H C46H C49H C15H 0.4(7) . . . .
C47H C46H C49H C22H 138.2(6) . . . .
C48H C8H C9H C10H -142.9(6) . . . .
C48H C8H C9H C13H 1.4(6) . . . .
C48H C14H C15H C16H -138.0(5) . . . .
C48H C14H C15H C49H 1.2(7) . . . .
C49H C15H C16H C17H -143.0(5) . . . .
C49H C15H C16H C21H 0.2(6) . . . .
C49H C22H C23H C24H -138.9(6) . . . .
C49H C22H C23H C44H -0.4(8) . . . .
C49H C46H C47H C41H -143.0(5) . . . .
C49H C46H C47H C48H 0.1(7) . . . .
C50H C51H C52H C53H 0.2(6) . . . .
C50H C51H C52H C56H 143.5(5) . . . .
C50H C51H C57H C19H 1.4(9) . . . .
C50H C51H C57H C26H -138.2(6) . . . .
C50H C54H C55H C2H 138.2(7) . . . .
C50H C54H C55H C11H -0.9(10) . . . .
C51H C50H C54H C53H 0.6(6) . . . .
C51H C50H C54H C55H -141.9(6) . . . .
C51H C50H C58H C12H 139.1(7) . . . .
C51H C50H C58H C18H 1.2(9) . . . .
C51H C52H C53H C54H 0.2(6) . . . .
C51H C52H C53H C60H 142.4(5) . . . .
C51H C52H C56H C27H -1.2(8) . . . .
C51H C52H C56H C34H -138.9(5) . . . .
C52H C51H C57H C19H 137.5(7) . . . .
C52H C51H C57H C26H -2.1(9) . . . .
C52H C53H C54H C50H -0.6(6) . . . .
C52H C53H C54H C55H 142.3(6) . . . .
C52H C53H C60H C3H -137.6(6) . . . .
C52H C53H C60H C35H -0.3(8) . . . .
C53H C52H C56H C27H 138.1(5) . . . .
C53H C52H C56H C34H 0.4(7) . . . .
C53H C54H C55H C2H -0.3(8) . . . .
C53H C54H C55H C11H -139.4(7) . . . .
C54H C50H C51H C52H -0.5(6) . . . .
C54H C50H C51H C57H 141.4(6) . . . .
C54H C50H C58H C12H 1.0(10) . . . .
C54H C50H C58H C18H -137.0(7) . . . .
C54H C53H C60H C3H 0.3(8) . . . .
C54H C53H C60H C35H 137.6(6) . . . .
C55H C2H C3H C4H -137.3(7) . . . .
C55H C2H C3H C60H 1.2(9) . . . .
C55H C11H C12H C58H -0.5(10) . . . .
C55H C11H C12H C59H 137.1(7) . . . .
C56H C27H C28H C29H 142.4(5) . . . .
C56H C27H C28H C33H 0.0(6) . . . .
C56H C34H C35H C36H 138.0(5) . . . .
C56H C34H C35H C60H -1.2(7) . . . .
C56H C52H C53H C54H -142.7(5) . . . .
C56H C52H C53H C60H -0.5(7) . . . .
C57H C19H C20H C21H 142.9(6) . . . .
C57H C19H C20H C25H -0.1(7) . . . .
C57H C26H C27H C28H 139.0(6) . . . .
C57H C26H C27H C56H -1.1(8) . . . .
C57H C51H C52H C53H -141.5(6) . . . .
C57H C51H C52H C56H 1.9(9) . . . .
C58H C12H C59H C13H 143.3(6) . . . .
C58H C12H C59H C17H 0.0(7) . . . .
C58H C18H C19H C20H 138.0(6) . . . .
C58H C18H C19H C57H -0.4(9) . . . .
C58H C50H C51H C52H -143.8(6) . . . .
C58H C50H C51H C57H -1.9(9) . . . .
C58H C50H C54H C53H 142.3(7) . . . .
C58H C50H C54H C55H -0.2(10) . . . .
C59H C12H C58H C18H -0.4(7) . . . .
C59H C12H C58H C50H -143.4(6) . . . .
C59H C13H C14H C15H 1.1(8) . . . .
C59H C13H C14H C48H 142.6(5) . . . .
C59H C17H C18H C19H 142.5(6) . . . .
C59H C17H C18H C58H -0.7(7) . . . .
C60H C3H C4H C5H -143.4(6) . . . .
C60H C3H C4H C36H 0.8(6) . . . .
C60H C35H C36H C4H 0.1(5) . . . .
C60H C35H C36H C37H 142.7(5) . . . .
C60H C53H C54H C50H -142.4(5) . . . .
C60H C53H C54H C55H 0.4(8) . . . .
