#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:17:57 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178601 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/12/4071244.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_4071244
loop_
_publ_author_name
'Mizuta, Tsutomu'
'Aotani, Tomoyuki'
'Imamura, Yuki'
'Kubo, Kazuyuki'
'Miyoshi, Katsuhiko'
_publ_section_title
;
 Structure and Properties of the Macrocyclic Tridentate
 Ferrocenylphosphine Ligand (−PhPC5H4FeC5H4−)3
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2457
_journal_paper_doi               10.1021/om800057w
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C56 H55 Fe3 O2 P3 S3'
_chemical_formula_weight         1116.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                120.00
_cell_formula_units_Z            42
_cell_length_a                   49.6210(2)
_cell_length_b                   49.621
_cell_length_c                   25.42500(10)
_cell_measurement_temperature    200(2)
_cell_volume                     54215.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Mac Science DIP2030 Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0159
_diffrn_reflns_limit_h_max       65
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            28659
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    1.088
_exptl_absorpt_correction_T_max  0.7745
_exptl_absorpt_correction_T_min  0.6746
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             24276
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.941
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       0.000025(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1374
_refine_ls_number_reflns         28659
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.124
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0589P)²+166.1471P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1108
_refine_ls_wR_factor_ref         0.1136
_reflns_number_gt                26606
_reflns_number_total             28659
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800057w-file009.cif
_cod_data_source_block           4a
_cod_database_code               4071244
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Fe1 Fe 0.162123(6) -0.001085(6) 0.085132(11) 0.02215(6) Uani 1 1 d . . .
Fe2 Fe 0.275439(6) 0.021834(6) 0.100538(11) 0.02144(6) Uani 1 1 d . . .
Fe3 Fe 0.250856(6) 0.111125(6) 0.077361(11) 0.02032(6) Uani 1 1 d . . .
Fe4 Fe 0.247449(7) 0.221456(7) 0.391082(11) 0.02429(7) Uani 1 1 d . . .
Fe5 Fe 0.222538(7) 0.310496(7) 0.404834(12) 0.02475(7) Uani 1 1 d . . .
Fe6 Fe 0.134379(7) 0.195104(7) 0.423805(12) 0.02587(7) Uani 1 1 d . . .
Fe7 Fe 0.068830(7) 0.042412(7) 0.265719(13) 0.02899(7) Uani 1 1 d . . .
S1 S 0.169670(14) 0.104623(14) 0.13194(2) 0.03762(13) Uani 1 1 d . . .
S2 S 0.171102(16) -0.068351(16) 0.17074(3) 0.04356(15) Uani 1 1 d . . .
S3 S 0.339841(14) 0.106112(14) 0.17353(2) 0.03664(13) Uani 1 1 d . . .
S4 S 0.154603(17) 0.127434(16) 0.48019(3) 0.04347(15) Uani 1 1 d . . .
S5 S 0.322543(14) 0.305959(16) 0.44227(3) 0.03933(13) Uani 1 1 d . . .
S6 S 0.145962(16) 0.296454(17) 0.49998(3) 0.04565(16) Uani 1 1 d . . .
S7 S 0.062916(17) 0.114708(17) 0.19631(3) 0.04620(16) Uani 1 1 d . . .
P1 P 0.170635(12) 0.075808(12) 0.08035(2) 0.02236(10) Uani 1 1 d . . .
P2 P 0.197160(12) -0.046214(11) 0.11010(2) 0.02556(11) Uani 1 1 d . . .
P3 P 0.318522(11) 0.103630(11) 0.10736(2) 0.02234(10) Uani 1 1 d . . .
P4 P 0.173121(13) 0.152570(13) 0.41722(2) 0.02648(11) Uani 1 1 d . . .
P5 P 0.291318(12) 0.302780(13) 0.39215(2) 0.02467(10) Uani 1 1 d . . .
P6 P 0.142712(13) 0.271723(13) 0.43804(2) 0.02680(11) Uani 1 1 d . . .
P7 P 0.037041(13) 0.091024(12) 0.25558(2) 0.02748(11) Uani 1 1 d . . .
C1 C 0.16193(5) 0.03896(5) 0.10782(8) 0.0246(4) Uani 1 1 d . . .
C2 C 0.13113(5) 0.01231(5) 0.11030(9) 0.0317(4) Uani 1 1 d . . .
H1 H 0.1135 0.0097 0.0914 0.038 Uiso 1 1 calc R . .
C3 C 0.13163(6) -0.00945(6) 0.14571(10) 0.0388(5) Uani 1 1 d . . .
H2 H 0.1144 -0.0292 0.1546 0.047 Uiso 1 1 calc R . .
C4 C 0.16235(6) 0.00318(6) 0.16577(9) 0.0354(5) Uani 1 1 d . . .
H3 H 0.1692 -0.0065 0.1904 0.043 Uiso 1 1 calc R . .
C5 C 0.18104(5) 0.03296(5) 0.14242(8) 0.0279(4) Uani 1 1 d . . .
H4 H 0.2026 0.0466 0.1488 0.033 Uiso 1 1 calc R . .
C6 C 0.17959(5) -0.02994(4) 0.06903(8) 0.0244(4) Uani 1 1 d . . .
C7 C 0.19454(5) -0.00297(4) 0.03634(8) 0.0226(4) Uani 1 1 d . . .
H5 H 0.2162 0.0116 0.0354 0.027 Uiso 1 1 calc R . .
C8 C 0.17132(5) -0.00172(5) 0.00543(8) 0.0277(4) Uani 1 1 d . . .
H6 H 0.1748 0.0138 -0.0199 0.033 Uiso 1 1 calc R . .
C9 C 0.14205(5) -0.02763(5) 0.01889(10) 0.0333(5) Uani 1 1 d . . .
H7 H 0.1226 -0.0324 0.0042 0.040 Uiso 1 1 calc R . .
C10 C 0.14679(5) -0.04516(5) 0.05799(10) 0.0318(5) Uani 1 1 d . . .
H8 H 0.1311 -0.0637 0.0741 0.038 Uiso 1 1 calc R . .
C11 C 0.23533(5) -0.01621(4) 0.12962(8) 0.0253(4) Uani 1 1 d . . .
C12 C 0.26190(5) -0.02042(5) 0.13542(10) 0.0329(5) Uani 1 1 d . . .
H9 H 0.2640 -0.0369 0.1207 0.039 Uiso 1 1 calc R . .
C13 C 0.28431(6) 0.00420(6) 0.16693(10) 0.0401(6) Uani 1 1 d . . .
H10 H 0.3040 0.0070 0.1770 0.048 Uiso 1 1 calc R . .
C14 C 0.27232(6) 0.02393(6) 0.18080(9) 0.0372(5) Uani 1 1 d . . .
H11 H 0.2826 0.0422 0.2017 0.045 Uiso 1 1 calc R . .
C15 C 0.24214(5) 0.01147(5) 0.15784(8) 0.0289(4) Uani 1 1 d . . .
H12 H 0.2289 0.0201 0.1608 0.035 Uiso 1 1 calc R . .
C16 C 0.30339(4) 0.06672(4) 0.07509(8) 0.0229(4) Uani 1 1 d . . .
C17 C 0.27641(4) 0.05127(4) 0.04216(7) 0.0226(4) Uani 1 1 d . . .
H13 H 0.2614 0.0575 0.0367 0.027 Uiso 1 1 calc R . .
C18 C 0.27609(5) 0.02500(5) 0.01906(8) 0.0279(4) Uani 1 1 d . . .
H14 H 0.2608 0.0107 -0.0046 0.034 Uiso 1 1 calc R . .
C19 C 0.30246(5) 0.02396(5) 0.03754(10) 0.0336(5) Uani 1 1 d . . .
H15 H 0.3079 0.0087 0.0284 0.040 Uiso 1 1 calc R . .
C20 C 0.31940(5) 0.04942(5) 0.07199(10) 0.0305(4) Uani 1 1 d . . .
H16 H 0.3381 0.0542 0.0899 0.037 Uiso 1 1 calc R . .
C21 C 0.28792(5) 0.11238(5) 0.11704(8) 0.0239(4) Uani 1 1 d . . .
C22 C 0.29145(5) 0.14287(5) 0.11353(9) 0.0313(4) Uani 1 1 d . . .
H17 H 0.3083 0.1606 0.0974 0.038 Uiso 1 1 calc R . .
C23 C 0.26541(6) 0.14189(6) 0.13840(10) 0.0372(5) Uani 1 1 d . . .
H18 H 0.2617 0.1588 0.1417 0.045 Uiso 1 1 calc R . .
C24 C 0.24572(6) 0.11117(6) 0.15759(8) 0.0341(5) Uani 1 1 d . . .
H19 H 0.2267 0.1041 0.1759 0.041 Uiso 1 1 calc R . .
C25 C 0.25959(5) 0.09304(5) 0.14446(8) 0.0273(4) Uani 1 1 d . . .
H20 H 0.2514 0.0716 0.1526 0.033 Uiso 1 1 calc R . .
C26 C 0.20716(4) 0.09284(4) 0.04647(7) 0.0211(3) Uani 1 1 d . . .
C27 C 0.22271(4) 0.07794(4) 0.02338(7) 0.0212(3) Uani 1 1 d . . .
H21 H 0.2160 0.0564 0.0249 0.025 Uiso 1 1 calc R . .
C28 C 0.24995(5) 0.10108(5) -0.00225(8) 0.0256(4) Uani 1 1 d . . .
H22 H 0.2645 0.0977 -0.0210 0.031 Uiso 1 1 calc R . .
C29 C 0.25153(5) 0.13028(5) 0.00503(9) 0.0307(4) Uani 1 1 d . . .
H23 H 0.2675 0.1497 -0.0080 0.037 Uiso 1 1 calc R . .
C30 C 0.22546(5) 0.12553(5) 0.03483(9) 0.0273(4) Uani 1 1 d . . .
H24 H 0.2208 0.1411 0.0453 0.033 Uiso 1 1 calc R . .
C31 C 0.14140(5) 0.06576(5) 0.02962(8) 0.0263(4) Uani 1 1 d . . .
C32 C 0.11550(5) 0.06896(6) 0.03925(11) 0.0366(5) Uani 1 1 d . . .
H25 H 0.1124 0.0751 0.0730 0.044 Uiso 1 1 calc R . .
C33 C 0.09425(6) 0.06309(7) -0.00071(13) 0.0461(6) Uani 1 1 d . . .
H26 H 0.0768 0.0657 0.0056 0.055 Uiso 1 1 calc R . .
C34 C 0.09816(7) 0.05354(7) -0.04941(12) 0.0475(6) Uani 1 1 d . . .
H27 H 0.0835 0.0495 -0.0765 0.057 Uiso 1 1 calc R . .
C35 C 0.12339(7) 0.04978(7) -0.05886(11) 0.0469(6) Uani 1 1 d . . .
H28 H 0.1259 0.0428 -0.0924 0.056 Uiso 1 1 calc R . .
C36 C 0.14516(6) 0.05610(6) -0.01969(9) 0.0359(5) Uani 1 1 d . . .
H29 H 0.1627 0.0538 -0.0266 0.043 Uiso 1 1 calc R . .
C37 C 0.20374(5) -0.07162(5) 0.06710(9) 0.0294(4) Uani 1 1 d . . .
C38 C 0.19660(6) -0.10109(5) 0.08440(11) 0.0390(6) Uani 1 1 d . . .
H30 H 0.1883 -0.1079 0.1186 0.047 Uiso 1 1 calc R . .
C39 C 0.20163(7) -0.12059(6) 0.05177(13) 0.0521(8) Uani 1 1 d . . .
H31 H 0.1970 -0.1406 0.0638 0.063 Uiso 1 1 calc R . .
C40 C 0.21340(7) -0.11094(7) 0.00186(14) 0.0543(8) Uani 1 1 d . . .
H32 H 0.2166 -0.1244 -0.0205 0.065 Uiso 1 1 calc R . .
C41 C 0.22055(8) -0.08171(7) -0.01587(13) 0.0523(7) Uani 1 1 d . . .
H33 H 0.2288 -0.0751 -0.0502 0.063 Uiso 1 1 calc R . .
C42 C 0.21566(6) -0.06202(6) 0.01668(11) 0.0404(5) Uani 1 1 d . . .
H34 H 0.2205 -0.0420 0.0045 0.048 Uiso 1 1 calc R . .
C43 C 0.34357(4) 0.13204(5) 0.05884(8) 0.0251(4) Uani 1 1 d . . .
C44 C 0.33704(5) 0.12759(5) 0.00558(9) 0.0289(4) Uani 1 1 d . . .
H35 H 0.3196 0.1089 -0.0066 0.035 Uiso 1 1 calc R . .
C45 C 0.35610(6) 0.15048(6) -0.03023(10) 0.0362(5) Uani 1 1 d . . .
H36 H 0.3516 0.1474 -0.0668 0.043 Uiso 1 1 calc R . .
C46 C 0.38149(6) 0.17766(6) -0.01262(12) 0.0416(6) Uani 1 1 d . . .
H37 H 0.3944 0.1933 -0.0371 0.050 Uiso 1 1 calc R . .
C47 C 0.38803(6) 0.18218(6) 0.04014(13) 0.0479(7) Uani 1 1 d . . .
H38 H 0.4055 0.2009 0.0521 0.057 Uiso 1 1 calc R . .
C48 C 0.36925(6) 0.15947(5) 0.07620(11) 0.0398(5) Uani 1 1 d . . .
H39 H 0.3739 0.1627 0.1127 0.048 Uiso 1 1 calc R . .
C49 C 0.21221(5) 0.18361(5) 0.42961(8) 0.0278(4) Uani 1 1 d . . .
C50 C 0.23941(6) 0.18059(6) 0.42514(10) 0.0346(5) Uani 1 1 d . . .
H40 H 0.2405 0.1642 0.4079 0.042 Uiso 1 1 calc R . .
C51 C 0.26424(6) 0.20618(6) 0.45064(10) 0.0393(5) Uani 1 1 d . . .
H41 H 0.2849 0.2099 0.4536 0.047 Uiso 1 1 calc R . .
C52 C 0.25302(6) 0.22551(6) 0.47130(9) 0.0363(5) Uani 1 1 d . . .
H42 H 0.2649 0.2443 0.4903 0.044 Uiso 1 1 calc R . .
C53 C 0.22096(5) 0.21149(5) 0.45839(8) 0.0297(4) Uani 1 1 d . . .
H43 H 0.2076 0.2193 0.4674 0.036 Uiso 1 1 calc R . .
C54 C 0.27150(5) 0.26552(5) 0.36043(8) 0.0253(4) Uani 1 1 d . . .
C55 C 0.24067(5) 0.24935(5) 0.33910(8) 0.0254(4) Uani 1 1 d . . .
H44 H 0.2255 0.2556 0.3420 0.031 Uiso 1 1 calc R . .
C56 C 0.23681(5) 0.22229(5) 0.31272(8) 0.0291(4) Uani 1 1 d . . .
H45 H 0.2186 0.2074 0.2949 0.035 Uiso 1 1 calc R . .
C57 C 0.26502(5) 0.22150(6) 0.31765(9) 0.0324(5) Uani 1 1 d . . .
H46 H 0.2688 0.2059 0.3037 0.039 Uiso 1 1 calc R . .
C58 C 0.28645(5) 0.24797(5) 0.34694(9) 0.0299(4) Uani 1 1 d . . .
H47 H 0.3071 0.2532 0.3561 0.036 Uiso 1 1 calc R . .
C59 C 0.26388(5) 0.31185(5) 0.42181(8) 0.0262(4) Uani 1 1 d . . .
C60 C 0.26777(5) 0.34246(5) 0.42282(10) 0.0336(5) Uani 1 1 d . . .
H48 H 0.2816 0.3595 0.4014 0.040 Uiso 1 1 calc R . .
C61 C 0.24728(6) 0.34277(6) 0.46158(10) 0.0403(6) Uani 1 1 d . . .
H49 H 0.2451 0.3602 0.4706 0.048 Uiso 1 1 calc R . .
C62 C 0.23061(6) 0.31283(6) 0.48444(9) 0.0378(5) Uani 1 1 d . . .
H50 H 0.2153 0.3066 0.5113 0.045 Uiso 1 1 calc R . .
C63 C 0.24078(5) 0.29358(6) 0.46014(8) 0.0300(4) Uani 1 1 d . . .
H51 H 0.2335 0.2723 0.4680 0.036 Uiso 1 1 calc R . .
C64 C 0.17554(5) 0.29058(5) 0.39460(8) 0.0268(4) Uani 1 1 d . . .
C65 C 0.18772(5) 0.27638(5) 0.36016(8) 0.0250(4) Uani 1 1 d . . .
H52 H 0.1818 0.2550 0.3596 0.030 Uiso 1 1 calc R . .
C66 C 0.21018(5) 0.29986(5) 0.32698(8) 0.0301(4) Uani 1 1 d . . .
H53 H 0.2220 0.2969 0.3006 0.036 Uiso 1 1 calc R . .
C67 C 0.21186(6) 0.32845(6) 0.33997(10) 0.0366(5) Uani 1 1 d . . .
H54 H 0.2249 0.3479 0.3235 0.044 Uiso 1 1 calc R . .
C68 C 0.19078(5) 0.32307(5) 0.38165(10) 0.0340(5) Uani 1 1 d . . .
H55 H 0.1873 0.3383 0.3981 0.041 Uiso 1 1 calc R . .
C69 C 0.13673(5) 0.23424(5) 0.45674(8) 0.0284(4) Uani 1 1 d . . .
C70 C 0.10709(6) 0.20716(6) 0.46705(10) 0.0390(5) Uani 1 1 d . . .
H56 H 0.0874 0.2043 0.4569 0.047 Uiso 1 1 calc R . .
C71 C 0.11226(7) 0.18547(7) 0.49503(11) 0.0448(6) Uani 1 1 d . . .
H57 H 0.0966 0.1655 0.5068 0.054 Uiso 1 1 calc R . .
C72 C 0.14486(7) 0.19853(6) 0.50250(9) 0.0398(5) Uani 1 1 d . . .
H58 H 0.1547 0.1888 0.5199 0.048 Uiso 1 1 calc R . .
C73 C 0.16010(6) 0.22878(6) 0.47918(8) 0.0311(4) Uani 1 1 d . . .
H59 H 0.1819 0.2428 0.4786 0.037 Uiso 1 1 calc R . .
C74 C 0.15024(5) 0.16812(5) 0.39070(8) 0.0272(4) Uani 1 1 d . . .
C75 C 0.16017(5) 0.19573(5) 0.36008(8) 0.0266(4) Uani 1 1 d . . .
H60 H 0.1811 0.2110 0.3526 0.032 Uiso 1 1 calc R . .
C76 C 0.13325(6) 0.19633(6) 0.34281(9) 0.0336(5) Uani 1 1 d . . .
H61 H 0.1331 0.2121 0.3220 0.040 Uiso 1 1 calc R . .
C77 C 0.10667(6) 0.16921(6) 0.36217(11) 0.0403(6) Uani 1 1 d . . .
H62 H 0.0856 0.1638 0.3563 0.048 Uiso 1 1 calc R . .
C78 C 0.11677(5) 0.15172(5) 0.39156(10) 0.0360(5) Uani 1 1 d . . .
H63 H 0.1037 0.1325 0.4088 0.043 Uiso 1 1 calc R . .
C79 C 0.17651(5) 0.13037(5) 0.36331(9) 0.0316(4) Uani 1 1 d . . .
C80 C 0.18121(8) 0.10564(7) 0.37449(13) 0.0535(7) Uani 1 1 d . . .
H64 H 0.1831 0.1007 0.4099 0.064 Uiso 1 1 calc R . .
C81 C 0.18316(10) 0.08811(9) 0.33335(16) 0.0701(10) Uani 1 1 d . . .
H65 H 0.1860 0.0710 0.3410 0.084 Uiso 1 1 calc R . .
C82 C 0.18104(8) 0.09529(8) 0.28213(14) 0.0619(9) Uani 1 1 d . . .
H66 H 0.1828 0.0834 0.2544 0.074 Uiso 1 1 calc R . .
C83 C 0.17629(8) 0.11977(8) 0.27093(12) 0.0565(8) Uani 1 1 d . . .
H67 H 0.1746 0.1247 0.2354 0.068 Uiso 1 1 calc R . .
C84 C 0.17403(7) 0.13733(6) 0.31145(10) 0.0421(6) Uani 1 1 d . . .
H68 H 0.1708 0.1542 0.3035 0.050 Uiso 1 1 calc R . .
C85 C 0.30864(5) 0.33079(5) 0.33901(9) 0.0321(4) Uani 1 1 d . . .
C86 C 0.33578(7) 0.35891(6) 0.34855(12) 0.0477(6) Uani 1 1 d . . .
H69 H 0.3445 0.3637 0.3828 0.057 Uiso 1 1 calc R . .
C87 C 0.34999(9) 0.37996(7) 0.30757(16) 0.0653(9) Uani 1 1 d . . .
H70 H 0.3685 0.3992 0.3140 0.078 Uiso 1 1 calc R . .
C88 C 0.33745(9) 0.37317(9) 0.25808(16) 0.0721(11) Uani 1 1 d . . .
H71 H 0.3474 0.3875 0.2302 0.086 Uiso 1 1 calc R . .
C89 C 0.31057(9) 0.34582(10) 0.24879(13) 0.0716(11) Uani 1 1 d . . .
H72 H 0.3018 0.3414 0.2145 0.086 Uiso 1 1 calc R . .
C90 C 0.29600(7) 0.32439(8) 0.28891(11) 0.0502(7) Uani 1 1 d . . .
H73 H 0.2774 0.3054 0.2820 0.060 Uiso 1 1 calc R . .
C91 C 0.11000(5) 0.26365(5) 0.39601(9) 0.0315(4) Uani 1 1 d . . .
C92 C 0.11102(6) 0.25988(6) 0.34215(10) 0.0404(5) Uani 1 1 d . . .
H74 H 0.1291 0.2614 0.3266 0.049 Uiso 1 1 calc R . .
C93 C 0.08568(8) 0.25397(7) 0.31088(13) 0.0550(8) Uani 1 1 d . . .
H75 H 0.0864 0.2512 0.2740 0.066 Uiso 1 1 calc R . .
C94 C 0.05959(7) 0.25207(8) 0.33315(16) 0.0622(9) Uani 1 1 d . . .
H76 H 0.0423 0.2482 0.3117 0.075 Uiso 1 1 calc R . .
C95 C 0.05842(7) 0.25578(10) 0.38601(17) 0.0741(11) Uani 1 1 d . . .
H77 H 0.0403 0.2544 0.4012 0.089 Uiso 1 1 calc R . .
C96 C 0.08350(7) 0.26156(9) 0.41791(13) 0.0571(8) Uani 1 1 d . . .
H78 H 0.0824 0.2641 0.4548 0.069 Uiso 1 1 calc R . .
C97 C 0.05406(5) 0.07213(5) 0.29138(9) 0.0291(4) Uani 1 1 d . . .
C98 C 0.08702(5) 0.08567(6) 0.29894(11) 0.0379(5) Uani 1 1 d . . .
H79 H 0.1027 0.1046 0.2838 0.046 Uiso 1 1 calc R . .
C99 C 0.09206(6) 0.06596(6) 0.33285(11) 0.0421(6) Uani 1 1 d . . .
H80 H 0.1117 0.0694 0.3446 0.050 Uiso 1 1 calc R . .
C100 C 0.06257(6) 0.04004(6) 0.34622(9) 0.0362(5) Uani 1 1 d . . .
H81 H 0.0592 0.0231 0.3682 0.043 Uiso 1 1 calc R . .
C101 C 0.03907(5) 0.04378(5) 0.32107(8) 0.0289(4) Uani 1 1 d . . .
H82 H 0.0173 0.0299 0.3235 0.035 Uiso 1 1 calc R . .
C102 C 0.06501(5) 0.00184(5) 0.23578(9) 0.0314(4) Uani 1 1 d . . .
C103 C 0.04625(6) 0.01066(6) 0.20598(9) 0.0347(5) Uani 1 1 d . . .
H83 H 0.0244 -0.0016 0.2012 0.042 Uiso 1 1 calc R . .
C104 C 0.06558(7) 0.04075(6) 0.18468(10) 0.0448(6) Uani 1 1 d . . .
H84 H 0.0590 0.0521 0.1635 0.054 Uiso 1 1 calc R . .
C105 C 0.09653(7) 0.05080(7) 0.20071(12) 0.0514(7) Uani 1 1 d . . .
H85 H 0.1143 0.0701 0.1918 0.062 Uiso 1 1 calc R . .
C106 C 0.09652(6) 0.02722(6) 0.23224(11) 0.0416(6) Uani 1 1 d . . .
H86 H 0.1142 0.0280 0.2482 0.050 Uiso 1 1 calc R . .
C107 C 0.03157(6) 0.11542(6) 0.30261(10) 0.0371(5) Uani 1 1 d . . .
C108 C 0.03506(9) 0.14363(8) 0.28594(14) 0.0585(9) Uani 1 1 d . . .
H87 H 0.0412 0.1505 0.2508 0.070 Uiso 1 1 calc R . .
C109 C 0.02948(11) 0.16179(10) 0.32145(19) 0.0831(14) Uani 1 1 d . . .
H88 H 0.0311 0.1807 0.3098 0.100 Uiso 1 1 calc R . .
C110 C 0.02189(10) 0.15287(12) 0.3719(2) 0.0904(16) Uani 1 1 d . . .
H89 H 0.0188 0.1658 0.3958 0.108 Uiso 1 1 calc R . .
C111 C 0.01859(11) 0.12521(10) 0.38866(17) 0.0931(17) Uani 1 1 d . . .
H90 H 0.0127 0.1188 0.4240 0.112 Uiso 1 1 calc R . .
C112 C 0.02377(9) 0.10637(7) 0.35421(13) 0.0679(11) Uani 1 1 d . . .
H91 H 0.0219 0.0874 0.3663 0.081 Uiso 1 1 calc R . .
O1 O 0.24842(8) 0.23326(6) 0.08759(10) 0.0772(8) Uani 1 1 d . . .
C113 C 0.23501(13) 0.20437(10) 0.11179(16) 0.0902(14) Uani 1 1 d . . .
H92 H 0.2449 0.1926 0.0986 0.108 Uiso 1 1 calc R . .
H93 H 0.2125 0.1924 0.1032 0.108 Uiso 1 1 calc R . .
C114 C 0.23913(10) 0.20826(10) 0.16984(15) 0.0744(10) Uani 1 1 d . . .
H94 H 0.2513 0.1989 0.1833 0.089 Uiso 1 1 calc R . .
H95 H 0.2187 0.1985 0.1880 0.089 Uiso 1 1 calc R . .
C115 C 0.25635(12) 0.24270(11) 0.17774(16) 0.0807(12) Uani 1 1 d . . .
H96 H 0.2422 0.2499 0.1905 0.097 Uiso 1 1 calc R . .
H97 H 0.2735 0.2489 0.2034 0.097 Uiso 1 1 calc R . .
C116 C 0.26887(10) 0.25579(9) 0.12464(17) 0.0724(10) Uani 1 1 d . . .
H98 H 0.2693 0.2758 0.1196 0.087 Uiso 1 1 calc R . .
H99 H 0.2903 0.2594 0.1205 0.087 Uiso 1 1 calc R . .
O2 O 0.19636(9) 0.29526(10) 0.09965(12) 0.1004(11) Uani 1 1 d . . .
C117 C 0.17406(11) 0.28975(11) 0.13882(17) 0.0813(12) Uani 1 1 d . . .
H100 H 0.1561 0.2684 0.1355 0.098 Uiso 1 1 calc R . .
H101 H 0.1664 0.3047 0.1353 0.098 Uiso 1 1 calc R . .
C118 C 0.18979(14) 0.29380(14) 0.19149(19) 0.1004(16) Uani 1 1 d . . .
H102 H 0.1874 0.3088 0.2137 0.120 Uiso 1 1 calc R . .
H103 H 0.1809 0.2737 0.2104 0.120 Uiso 1 1 calc R . .
C119 C 0.22310(17) 0.3058(2) 0.1784(2) 0.142(3) Uani 1 1 d . . .
H104 H 0.2358 0.3283 0.1862 0.171 Uiso 1 1 calc R . .
H105 H 0.2315 0.2945 0.1983 0.171 Uiso 1 1 calc R . .
C120 C 0.22275(15) 0.2999(2) 0.1213(2) 0.134(3) Uani 1 1 d . . .
H106 H 0.2406 0.3180 0.1043 0.160 Uiso 1 1 calc R . .
H107 H 0.2250 0.2814 0.1155 0.160 Uiso 1 1 calc R . .
O3 O 0.14000(11) 0.18366(14) 0.11358(17) 0.1003(16) Uani 0.70 1 d P A 1
C121 C 0.1224(2) 0.19634(19) 0.1368(3) 0.097(3) Uani 0.70 1 d P A 1
H108 H 0.1000 0.1826 0.1286 0.117 Uiso 0.70 1 calc PR A 1
H109 H 0.1290 0.2170 0.1212 0.117 Uiso 0.70 1 calc PR A 1
C122 C 0.12639(16) 0.19953(14) 0.1940(2) 0.0829(18) Uani 0.70 1 d P A 1
H110 H 0.1061 0.1886 0.2124 0.099 Uiso 0.70 1 calc PR A 1
H111 H 0.1375 0.2217 0.2047 0.099 Uiso 0.70 1 calc PR A 1
C123 C 0.14601(16) 0.18402(18) 0.2051(2) 0.0876(19) Uani 0.70 1 d P A 1
H112 H 0.1675 0.1998 0.2149 0.105 Uiso 0.70 1 calc PR A 1
H113 H 0.1368 0.1688 0.2342 0.105 Uiso 0.70 1 calc PR A 1
C124 C 0.14592(15) 0.16774(19) 0.1547(3) 0.090(2) Uani 0.70 1 d P A 1
H114 H 0.1663 0.1690 0.1494 0.108 Uiso 0.70 1 calc PR A 1
H115 H 0.1295 0.1456 0.1557 0.108 Uiso 0.70 1 calc PR A 1
O4 O 0.0596(3) 0.0541(3) 0.5524(4) 0.199(5) Uiso 0.50 1 d PG . 2
C125 C 0.0764(4) 0.0390(4) 0.5369(6) 0.219(9) Uiso 0.50 1 d PG . 2
C126 C 0.0833(3) 0.0440(4) 0.4781(6) 0.219 Uiso 0.50 1 d PG . 2
C127 C 0.0692(4) 0.0635(4) 0.4596(5) 0.219 Uiso 0.50 1 d PG . 2
C128 C 0.0546(4) 0.0690(4) 0.5083(6) 0.219 Uiso 0.50 1 d PG . 2
H116 H 0.0976 0.0491 0.5604 0.263 Uiso 0.50 1 d PG . 2
H117 H 0.0619 0.0144 0.5467 0.263 Uiso 0.50 1 d PG . 2
H118 H 0.0730 0.0218 0.4574 0.263 Uiso 0.50 1 d PG . 2
H119 H 0.1083 0.0561 0.4709 0.263 Uiso 0.50 1 d PG . 2
H120 H 0.0516 0.0513 0.4294 0.263 Uiso 0.50 1 d PG . 2
H121 H 0.0869 0.0855 0.4429 0.263 Uiso 0.50 1 d PG . 2
H122 H 0.0295 0.0590 0.5043 0.263 Uiso 0.50 1 d PG . 2
H123 H 0.0653 0.0936 0.5180 0.263 Uiso 0.50 1 d PG . 2
O5 O 0.2446(3) 0.0605(3) 0.3740(3) 0.272(9) Uiso 0.50 1 d PG B 3
C129 C 0.2217(2) 0.0292(2) 0.3611(3) 0.118(4) Uiso 0.50 1 d PG B 3
C130 C 0.2162(2) 0.02680(18) 0.3019(4) 0.118 Uiso 0.50 1 d PG B 3
C131 C 0.2376(2) 0.0593(2) 0.2802(3) 0.118 Uiso 0.50 1 d PG B 3
C132 C 0.2549(2) 0.07934(17) 0.3277(4) 0.118 Uiso 0.50 1 d PG B 3
H124 H 0.2308 0.0144 0.3746 0.141 Uiso 0.50 1 d PG B 3
H125 H 0.2008 0.0238 0.3832 0.141 Uiso 0.50 1 d PG B 3
H126 H 0.1919 0.0192 0.2931 0.141 Uiso 0.50 1 d PG B 3
H127 H 0.2215 0.0099 0.2846 0.141 Uiso 0.50 1 d PG B 3
H128 H 0.2244 0.0684 0.2603 0.141 Uiso 0.50 1 d PG B 3
H129 H 0.2540 0.0591 0.2518 0.141 Uiso 0.50 1 d PG B 3
H130 H 0.2500 0.0982 0.3336 0.141 Uiso 0.50 1 d PG B 3
H131 H 0.2799 0.0888 0.3250 0.141 Uiso 0.50 1 d PG B 3
O6 O 0.0083(4) 0.0164(4) 0.1026(5) 0.087(5) Uiso 0.17 1 d PG . 4
C133 C 0.0287(8) 0.0097(9) 0.0729(13) 0.148(17) Uiso 0.17 1 d PG . 4
C134 C 0.0154(13) -0.0007(9) 0.0178(10) 0.148 Uiso 0.17 1 d PG . 4
C135 C -0.0147(11) 0.0004(10) 0.0168(9) 0.148 Uiso 0.17 1 d PG . 4
C136 C -0.0178(6) 0.0114(10) 0.0713(13) 0.148 Uiso 0.17 1 d PG . 4
H132 H 0.0514 0.0309 0.0724 0.178 Uiso 0.17 1 d PG . 4
H133 H 0.0305 -0.0085 0.0942 0.178 Uiso 0.17 1 d PG . 4
H134 H 0.0110 -0.0241 0.0097 0.178 Uiso 0.17 1 d PG . 4
H135 H 0.0317 0.0148 -0.0118 0.178 Uiso 0.17 1 d PG . 4
H136 H -0.0346 -0.0225 0.0082 0.178 Uiso 0.17 1 d PG . 4
H137 H -0.0139 0.0164 -0.0134 0.178 Uiso 0.17 1 d PG . 4
H138 H -0.0386 -0.0060 0.0918 0.178 Uiso 0.17 1 d PG . 4
H139 H -0.0176 0.0334 0.0700 0.178 Uiso 0.17 1 d PG . 4
O7 O 0.1488(3) 0.2181(3) 0.2278(4) 0.120(4) Uiso 0.30 1 d PG C 5
C137 C 0.1230(4) 0.2163(4) 0.1996(7) 0.120(7) Uiso 0.30 1 d PG C 5
C138 C 0.1179(4) 0.1974(5) 0.1496(6) 0.120 Uiso 0.30 1 d PG C 5
C139 C 0.1427(4) 0.1879(4) 0.1501(6) 0.120 Uiso 0.30 1 d PG C 5
C140 C 0.1614(3) 0.2018(4) 0.2004(6) 0.120 Uiso 0.30 1 d PG C 5
H140 H 0.1030 0.2055 0.2259 0.144 Uiso 0.30 1 d PG C 5
H141 H 0.1288 0.2402 0.1912 0.144 Uiso 0.30 1 d PG C 5
H142 H 0.1201 0.2112 0.1149 0.144 Uiso 0.30 1 d PG C 5
H143 H 0.0946 0.1770 0.1491 0.144 Uiso 0.30 1 d PG C 5
H144 H 0.1577 0.1969 0.1156 0.144 Uiso 0.30 1 d PG C 5
H145 H 0.1322 0.1627 0.1499 0.144 Uiso 0.30 1 d PG C 5
H146 H 0.1857 0.2185 0.1924 0.144 Uiso 0.30 1 d PG C 5
H147 H 0.1599 0.1839 0.2271 0.144 Uiso 0.30 1 d PG C 5
O8 O 0.2578(3) 0.0635(3) 0.3105(5) 0.190(5) Uiso 0.50 1 d PG D 6
C141 C 0.2342(3) 0.0324(3) 0.2975(4) 0.176(7) Uiso 0.50 1 d PG D 6
C142 C 0.2211(3) 0.0140(2) 0.3482(6) 0.176 Uiso 0.50 1 d PG D 6
C143 C 0.2388(4) 0.0364(3) 0.3927(4) 0.176 Uiso 0.50 1 d PG D 6
C144 C 0.2615(3) 0.0672(2) 0.3663(5) 0.176 Uiso 0.50 1 d PG D 6
H148 H 0.2165 0.0343 0.2750 0.211 Uiso 0.50 1 d PG D 6
H149 H 0.2451 0.0227 0.2727 0.211 Uiso 0.50 1 d PG D 6
H150 H 0.2245 -0.0061 0.3491 0.211 Uiso 0.50 1 d PG D 6
H151 H 0.1962 0.0053 0.3513 0.211 Uiso 0.50 1 d PG D 6
H152 H 0.2513 0.0279 0.4165 0.211 Uiso 0.50 1 d PG D 6
H153 H 0.2230 0.0394 0.4187 0.211 Uiso 0.50 1 d PG D 6
H154 H 0.2857 0.0742 0.3748 0.211 Uiso 0.50 1 d PG D 6
H155 H 0.2570 0.0858 0.3770 0.211 Uiso 0.50 1 d PG D 6
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C10 Fe1 C3 101.23(10) . .
C10 Fe1 C6 41.13(8) . .
C3 Fe1 C6 122.34(9) . .
C10 Fe1 C2 120.80(9) . .
C3 Fe1 C2 40.29(9) . .
C6 Fe1 C2 158.70(8) . .
C10 Fe1 C4 115.21(10) . .
C3 Fe1 C4 40.47(10) . .
C6 Fe1 C4 106.71(9) . .
C2 Fe1 C4 67.93(10) . .
C10 Fe1 C9 40.36(9) . .
C3 Fe1 C9 114.35(10) . .
C6 Fe1 C9 68.22(8) . .
C2 Fe1 C9 105.07(10) . .
C4 Fe1 C9 148.70(10) . .
C10 Fe1 C5 152.49(9) . .
C3 Fe1 C5 67.90(10) . .
C6 Fe1 C5 122.23(8) . .
C2 Fe1 C5 67.93(9) . .
C4 Fe1 C5 40.35(9) . .
C9 Fe1 C5 167.10(9) . .
C10 Fe1 C7 68.36(8) . .
C3 Fe1 C7 162.22(9) . .
C6 Fe1 C7 40.54(7) . .
C2 Fe1 C7 157.45(8) . .
C4 Fe1 C7 129.53(9) . .
C9 Fe1 C7 67.65(9) . .
C5 Fe1 C7 114.44(8) . .
C10 Fe1 C1 160.39(8) . .
C3 Fe1 C1 68.20(9) . .
C6 Fe1 C1 158.45(8) . .
C2 Fe1 C1 40.72(8) . .
C4 Fe1 C1 68.12(9) . .
C9 Fe1 C1 127.38(9) . .
C5 Fe1 C1 40.40(8) . .
C7 Fe1 C1 125.87(7) . .
C10 Fe1 C8 67.79(9) . .
C3 Fe1 C8 150.86(10) . .
C6 Fe1 C8 67.84(8) . .
C2 Fe1 C8 120.83(9) . .
C4 Fe1 C8 168.67(9) . .
C9 Fe1 C8 40.04(9) . .
C5 Fe1 C8 133.26(8) . .
C7 Fe1 C8 40.04(8) . .
C1 Fe1 C8 113.05(8) . .
C20 Fe2 C13 101.16(10) . .
C20 Fe2 C16 41.00(8) . .
C13 Fe2 C16 123.40(9) . .
C20 Fe2 C14 113.67(10) . .
C13 Fe2 C14 40.53(11) . .
C16 Fe2 C14 106.59(9) . .
C20 Fe2 C12 122.11(9) . .
C13 Fe2 C12 40.45(10) . .
C16 Fe2 C12 160.32(8) . .
C14 Fe2 C12 68.17(10) . .
C20 Fe2 C19 40.43(9) . .
C13 Fe2 C19 112.96(11) . .
C16 Fe2 C19 68.26(8) . .
C14 Fe2 C19 146.60(10) . .
C12 Fe2 C19 105.10(10) . .
C20 Fe2 C17 68.37(8) . .
C13 Fe2 C17 163.78(9) . .
C16 Fe2 C17 40.73(7) . .
C14 Fe2 C17 130.85(9) . .
C12 Fe2 C17 155.69(9) . .
C19 Fe2 C17 67.67(9) . .
C20 Fe2 C15 150.54(9) . .
C13 Fe2 C15 68.18(10) . .
C16 Fe2 C15 120.98(8) . .
C14 Fe2 C15 40.58(9) . .
C12 Fe2 C15 68.22(9) . .
C19 Fe2 C15 168.94(9) . .
C17 Fe2 C15 114.57(9) . .
C20 Fe2 C18 67.90(9) . .
C13 Fe2 C18 148.89(10) . .
C16 Fe2 C18 68.10(8) . .
C14 Fe2 C18 170.57(10) . .
C12 Fe2 C18 119.50(9) . .
C19 Fe2 C18 40.03(9) . .
C17 Fe2 C18 40.17(8) . .
C15 Fe2 C18 134.64(9) . .
C20 Fe2 C11 162.25(9) . .
C13 Fe2 C11 68.36(9) . .
C16 Fe2 C11 156.75(8) . .
C14 Fe2 C11 68.28(9) . .
C12 Fe2 C11 40.84(8) . .
C19 Fe2 C11 128.87(9) . .
C17 Fe2 C11 124.84(8) . .
C15 Fe2 C11 40.44(8) . .
C18 Fe2 C11 113.29(8) . .
C23 Fe3 C30 100.99(9) . .
C23 Fe3 C26 121.67(9) . .
C30 Fe3 C26 41.25(8) . .
C23 Fe3 C22 40.54(9) . .
C30 Fe3 C22 120.62(9) . .
C26 Fe3 C22 158.37(8) . .
C23 Fe3 C24 40.69(10) . .
C30 Fe3 C24 115.25(9) . .
C26 Fe3 C24 106.10(9) . .
C22 Fe3 C24 68.24(10) . .
C23 Fe3 C27 161.81(9) . .
C30 Fe3 C27 68.69(8) . .
C26 Fe3 C27 40.91(7) . .
C22 Fe3 C27 157.63(8) . .
C24 Fe3 C27 128.82(9) . .
C23 Fe3 C29 114.55(10) . .
C30 Fe3 C29 40.29(8) . .
C26 Fe3 C29 68.35(8) . .
C22 Fe3 C29 105.20(9) . .
C24 Fe3 C29 149.04(10) . .
C27 Fe3 C29 67.84(8) . .
C23 Fe3 C21 68.29(9) . .
C30 Fe3 C21 160.33(8) . .
C26 Fe3 C21 158.42(8) . .
C22 Fe3 C21 40.76(8) . .
C24 Fe3 C21 68.00(9) . .
C27 Fe3 C21 125.83(8) . .
C29 Fe3 C21 127.64(8) . .
C23 Fe3 C25 67.99(10) . .
C30 Fe3 C25 152.51(9) . .
C26 Fe3 C25 121.97(8) . .
C22 Fe3 C25 68.04(9) . .
C24 Fe3 C25 40.22(9) . .
C27 Fe3 C25 114.03(8) . .
C29 Fe3 C25 167.16(9) . .
C21 Fe3 C25 40.28(8) . .
C23 Fe3 C28 151.32(10) . .
C30 Fe3 C28 67.99(8) . .
C26 Fe3 C28 68.18(8) . .
C22 Fe3 C28 121.02(9) . .
C24 Fe3 C28 167.99(9) . .
C27 Fe3 C28 40.12(7) . .
C29 Fe3 C28 40.19(9) . .
C21 Fe3 C28 113.19(8) . .
C25 Fe3 C28 132.98(8) . .
C58 Fe4 C51 102.39(10) . .
C58 Fe4 C54 41.14(8) . .
C51 Fe4 C54 123.25(10) . .
C58 Fe4 C50 121.38(9) . .
C51 Fe4 C50 40.21(10) . .
C54 Fe4 C50 159.41(9) . .
C58 Fe4 C52 116.34(10) . .
C51 Fe4 C52 40.74(10) . .
C54 Fe4 C52 107.15(9) . .
C50 Fe4 C52 68.16(10) . .
C58 Fe4 C55 68.64(8) . .
C51 Fe4 C55 163.10(10) . .
C54 Fe4 C55 40.79(8) . .
C50 Fe4 C55 156.70(9) . .
C52 Fe4 C55 129.09(9) . .
C58 Fe4 C57 40.42(9) . .
C51 Fe4 C57 114.85(10) . .
C54 Fe4 C57 68.53(9) . .
C50 Fe4 C57 104.87(10) . .
C52 Fe4 C57 149.70(10) . .
C55 Fe4 C57 68.22(9) . .
C58 Fe4 C53 153.35(9) . .
C51 Fe4 C53 68.04(10) . .
C54 Fe4 C53 122.19(9) . .
C50 Fe4 C53 68.10(9) . .
C52 Fe4 C53 40.36(9) . .
C55 Fe4 C53 113.27(8) . .
C57 Fe4 C53 166.22(9) . .
C58 Fe4 C49 160.67(9) . .
C51 Fe4 C49 68.19(9) . .
C54 Fe4 C49 158.04(8) . .
C50 Fe4 C49 40.80(8) . .
C52 Fe4 C49 68.24(9) . .
C55 Fe4 C49 124.56(8) . .
C57 Fe4 C49 126.62(9) . .
C53 Fe4 C49 40.49(9) . .
C58 Fe4 C56 68.12(9) . .
C51 Fe4 C56 151.11(10) . .
C54 Fe4 C56 68.31(8) . .
C50 Fe4 C56 120.07(10) . .
C52 Fe4 C56 168.02(10) . .
C55 Fe4 C56 40.42(8) . .
C57 Fe4 C56 40.41(9) . .
C53 Fe4 C56 131.79(9) . .
C49 Fe4 C56 111.53(9) . .
C64 Fe5 C61 124.13(9) . .
C64 Fe5 C60 161.01(9) . .
C61 Fe5 C60 40.62(9) . .
C64 Fe5 C68 41.04(9) . .
C61 Fe5 C68 102.49(10) . .
C60 Fe5 C68 122.65(10) . .
C64 Fe5 C65 40.95(8) . .
C61 Fe5 C65 164.46(9) . .
C60 Fe5 C65 154.92(9) . .
C68 Fe5 C65 68.52(9) . .
C64 Fe5 C62 107.20(9) . .
C61 Fe5 C62 40.34(11) . .
C60 Fe5 C62 68.26(10) . .
C68 Fe5 C62 115.07(10) . .
C65 Fe5 C62 130.63(10) . .
C64 Fe5 C66 68.45(9) . .
C61 Fe5 C66 149.63(11) . .
C60 Fe5 C66 118.87(10) . .
C68 Fe5 C66 68.06(9) . .
C65 Fe5 C66 40.34(8) . .
C62 Fe5 C66 169.97(10) . .
C64 Fe5 C63 121.09(9) . .
C61 Fe5 C63 67.94(10) . .
C60 Fe5 C63 68.25(10) . .
C68 Fe5 C63 151.60(9) . .
C65 Fe5 C63 113.64(9) . .
C62 Fe5 C63 40.47(9) . .
C66 Fe5 C63 133.22(9) . .
C64 Fe5 C59 156.54(9) . .
C61 Fe5 C59 68.26(9) . .
C60 Fe5 C59 40.74(9) . .
C68 Fe5 C59 162.32(9) . .
C65 Fe5 C59 123.73(8) . .
C62 Fe5 C59 68.27(9) . .
C66 Fe5 C59 111.88(8) . .
C63 Fe5 C59 40.55(8) . .
C64 Fe5 C67 68.30(9) . .
C61 Fe5 C67 114.10(11) . .
C60 Fe5 C67 105.20(10) . .
C68 Fe5 C67 40.29(10) . .
C65 Fe5 C67 67.82(9) . .
C62 Fe5 C67 147.87(10) . .
C66 Fe5 C67 40.20(9) . .
C63 Fe5 C67 168.10(9) . .
C59 Fe5 C67 128.17(9) . .
C74 Fe6 C71 123.28(10) . .
C74 Fe6 C78 41.19(9) . .
C71 Fe6 C78 102.21(11) . .
C74 Fe6 C70 159.78(9) . .
C71 Fe6 C70 40.44(11) . .
C78 Fe6 C70 121.62(10) . .
C74 Fe6 C72 106.92(9) . .
C71 Fe6 C72 40.62(11) . .
C78 Fe6 C72 115.76(11) . .
C70 Fe6 C72 68.31(11) . .
C74 Fe6 C75 40.90(8) . .
C71 Fe6 C75 163.39(10) . .
C78 Fe6 C75 68.61(9) . .
C70 Fe6 C75 156.17(10) . .
C72 Fe6 C75 129.57(10) . .
C74 Fe6 C77 68.48(9) . .
C71 Fe6 C77 114.53(12) . .
C78 Fe6 C77 40.31(10) . .
C70 Fe6 C77 104.94(11) . .
C72 Fe6 C77 148.96(11) . .
C75 Fe6 C77 68.01(10) . .
C74 Fe6 C76 68.47(9) . .
C71 Fe6 C76 150.62(11) . .
C78 Fe6 C76 68.13(10) . .
C70 Fe6 C76 119.67(10) . .
C72 Fe6 C76 168.68(11) . .
C75 Fe6 C76 40.37(9) . .
C77 Fe6 C76 40.35(11) . .
C74 Fe6 C69 157.63(9) . .
C71 Fe6 C69 68.42(10) . .
C78 Fe6 C69 161.04(9) . .
C70 Fe6 C69 40.83(9) . .
C72 Fe6 C69 68.53(10) . .
C75 Fe6 C69 124.33(8) . .
C77 Fe6 C69 127.04(9) . .
C76 Fe6 C69 111.53(9) . .
C74 Fe6 C73 121.73(9) . .
C71 Fe6 C73 68.19(11) . .
C78 Fe6 C73 152.82(10) . .
C70 Fe6 C73 68.29(10) . .
C72 Fe6 C73 40.59(10) . .
C75 Fe6 C73 113.37(9) . .
C77 Fe6 C73 166.87(10) . .
C76 Fe6 C73 132.18(10) . .
C69 Fe6 C73 40.65(8) . .
C98 Fe7 C106 122.03(10) . .
C98 Fe7 C97 41.00(9) . .
C106 Fe7 C97 160.02(9) . .
C98 Fe7 C105 102.69(12) . .
C106 Fe7 C105 40.39(11) . .
C97 Fe7 C105 123.56(10) . .
C98 Fe7 C99 40.29(10) . .
C106 Fe7 C99 105.30(12) . .
C97 Fe7 C99 68.26(10) . .
C105 Fe7 C99 115.01(13) . .
C98 Fe7 C100 68.04(10) . .
C106 Fe7 C100 119.95(11) . .
C97 Fe7 C100 68.19(9) . .
C105 Fe7 C100 151.08(12) . .
C99 Fe7 C100 40.37(10) . .
C98 Fe7 C104 115.96(11) . .
C106 Fe7 C104 67.98(12) . .
C97 Fe7 C104 107.26(10) . .
C105 Fe7 C104 40.23(12) . .
C99 Fe7 C104 149.09(11) . .
C100 Fe7 C104 168.59(11) . .
C98 Fe7 C101 68.43(10) . .
C106 Fe7 C101 156.22(9) . .
C97 Fe7 C101 40.74(8) . .
C105 Fe7 C101 163.39(11) . .
C99 Fe7 C101 67.91(10) . .
C100 Fe7 C101 40.24(9) . .
C104 Fe7 C101 129.67(10) . .
C98 Fe7 C103 152.59(10) . .
C106 Fe7 C103 67.86(11) . .
C97 Fe7 C103 121.89(9) . .
C105 Fe7 C103 67.44(12) . .
C99 Fe7 C103 167.11(10) . .
C100 Fe7 C103 132.50(10) . .
C104 Fe7 C103 40.13(10) . .
C101 Fe7 C103 113.67(9) . .
C98 Fe7 C102 161.52(9) . .
C106 Fe7 C102 40.84(9) . .
C97 Fe7 C102 157.34(9) . .
C105 Fe7 C102 68.16(10) . .
C99 Fe7 C102 127.46(10) . .
C100 Fe7 C102 111.78(9) . .
C104 Fe7 C102 68.11(10) . .
C101 Fe7 C102 124.27(8) . .
C103 Fe7 C102 40.36(9) . .
C26 P1 C1 109.80(9) . .
C26 P1 C31 105.61(9) . .
C1 P1 C31 104.13(9) . .
C26 P1 S1 111.47(7) . .
C1 P1 S1 113.66(7) . .
C31 P1 S1 111.64(7) . .
C6 P2 C11 109.66(9) . .
C6 P2 C37 105.00(10) . .
C11 P2 C37 105.10(10) . .
C6 P2 S2 112.23(8) . .
C11 P2 S2 111.96(7) . .
C37 P2 S2 112.44(8) . .
C21 P3 C16 109.72(9) . .
C21 P3 C43 103.82(9) . .
C16 P3 C43 104.87(9) . .
C21 P3 S3 111.29(7) . .
C16 P3 S3 113.23(7) . .
C43 P3 S3 113.33(7) . .
C74 P4 C49 109.91(10) . .
C74 P4 C79 104.34(10) . .
C49 P4 C79 105.28(10) . .
C74 P4 S4 112.70(8) . .
C49 P4 S4 111.35(7) . .
C79 P4 S4 112.79(8) . .
C54 P5 C59 110.66(9) . .
C54 P5 C85 105.07(10) . .
C59 P5 C85 104.36(10) . .
C54 P5 S5 112.39(7) . .
C59 P5 S5 112.06(7) . .
C85 P5 S5 111.79(8) . .
C69 P6 C64 109.87(10) . .
C69 P6 C91 105.14(10) . .
C64 P6 C91 103.37(10) . .
C69 P6 S6 110.88(8) . .
C64 P6 S6 113.59(8) . .
C91 P6 S6 113.43(8) . .
C97 P7 C102 110.23(10) . 2
C97 P7 C107 106.31(11) . .
C102 P7 C107 103.68(11) 2 .
C97 P7 S7 111.58(8) . .
C102 P7 S7 112.24(8) 2 .
C107 P7 S7 112.37(9) . .
C5 C1 C2 106.98(18) . .
C5 C1 P1 127.16(16) . .
C2 C1 P1 123.87(16) . .
C5 C1 Fe1 69.52(12) . .
C2 C1 Fe1 69.08(12) . .
P1 C1 Fe1 138.86(11) . .
C3 C2 C1 108.3(2) . .
C3 C2 Fe1 69.55(13) . .
C1 C2 Fe1 70.20(12) . .
C3 C2 H1 125.9 . .
C1 C2 H1 125.9 . .
Fe1 C2 H1 126.0 . .
C2 C3 C4 108.4(2) . .
C2 C3 Fe1 70.16(13) . .
C4 C3 Fe1 70.13(13) . .
C2 C3 H2 125.8 . .
C4 C3 H2 125.8 . .
Fe1 C3 H2 125.5 . .
C3 C4 C5 107.8(2) . .
C3 C4 Fe1 69.40(13) . .
C5 C4 Fe1 70.05(12) . .
C3 C4 H3 126.1 . .
C5 C4 H3 126.1 . .
Fe1 C4 H3 126.0 . .
C4 C5 C1 108.50(19) . .
C4 C5 Fe1 69.60(13) . .
C1 C5 Fe1 70.07(12) . .
C4 C5 H4 125.8 . .
C1 C5 H4 125.8 . .
Fe1 C5 H4 126.2 . .
C7 C6 C10 107.42(18) . .
C7 C6 P2 128.34(15) . .
C10 C6 P2 123.73(15) . .
C7 C6 Fe1 70.41(11) . .
C10 C6 Fe1 69.10(12) . .
P2 C6 Fe1 132.00(12) . .
C8 C7 C6 108.08(18) . .
C8 C7 Fe1 70.39(12) . .
C6 C7 Fe1 69.05(11) . .
C8 C7 H5 126.0 . .
C6 C7 H5 126.0 . .
Fe1 C7 H5 126.2 . .
C9 C8 C7 108.19(18) . .
C9 C8 Fe1 69.26(13) . .
C7 C8 Fe1 69.57(11) . .
C9 C8 H6 125.9 . .
C7 C8 H6 125.9 . .
Fe1 C8 H6 126.8 . .
C10 C9 C8 108.48(19) . .
C10 C9 Fe1 69.10(13) . .
C8 C9 Fe1 70.70(12) . .
C10 C9 H7 125.8 . .
C8 C9 H7 125.8 . .
Fe1 C9 H7 126.0 . .
C9 C10 C6 107.84(19) . .
C9 C10 Fe1 70.54(12) . .
C6 C10 Fe1 69.77(11) . .
C9 C10 H8 126.1 . .
C6 C10 H8 126.1 . .
Fe1 C10 H8 125.2 . .
C15 C11 C12 107.06(19) . .
C15 C11 P2 125.34(17) . .
C12 C11 P2 124.70(16) . .
C15 C11 Fe2 69.36(11) . .
C12 C11 Fe2 68.78(12) . .
P2 C11 Fe2 142.05(11) . .
C13 C12 C11 108.2(2) . .
C13 C12 Fe2 69.48(13) . .
C11 C12 Fe2 70.38(11) . .
C13 C12 H9 125.9 . .
C11 C12 H9 125.9 . .
Fe2 C12 H9 125.8 . .
C12 C13 C14 108.4(2) . .
C12 C13 Fe2 70.08(12) . .
C14 C13 Fe2 69.93(13) . .
C12 C13 H10 125.8 . .
C14 C13 H10 125.8 . .
Fe2 C13 H10 125.8 . .
C13 C14 C15 108.1(2) . .
C13 C14 Fe2 69.54(14) . .
C15 C14 Fe2 70.19(12) . .
C13 C14 H11 126.0 . .
C15 C14 H11 126.0 . .
Fe2 C14 H11 125.9 . .
C14 C15 C11 108.3(2) . .
C14 C15 Fe2 69.22(13) . .
C11 C15 Fe2 70.20(12) . .
C14 C15 H12 125.9 . .
C11 C15 H12 125.9 . .
Fe2 C15 H12 126.3 . .
C17 C16 C20 107.24(17) . .
C17 C16 P3 128.00(15) . .
C20 C16 P3 124.20(15) . .
C17 C16 Fe2 70.13(11) . .
C20 C16 Fe2 69.13(11) . .
P3 C16 Fe2 132.43(11) . .
C18 C17 C16 108.12(18) . .
C18 C17 Fe2 70.32(12) . .
C16 C17 Fe2 69.14(11) . .
C18 C17 H13 125.9 . .
C16 C17 H13 125.9 . .
Fe2 C17 H13 126.2 . .
C19 C18 C17 108.01(18) . .
C19 C18 Fe2 69.26(13) . .
C17 C18 Fe2 69.52(11) . .
C19 C18 H14 126.0 . .
C17 C18 H14 126.0 . .
Fe2 C18 H14 126.8 . .
C18 C19 C20 108.67(19) . .
C18 C19 Fe2 70.71(12) . .
C20 C19 Fe2 69.23(13) . .
C18 C19 H15 125.7 . .
C20 C19 H15 125.7 . .
Fe2 C19 H15 126.0 . .
C19 C20 C16 107.96(19) . .
C19 C20 Fe2 70.34(12) . .
C16 C20 Fe2 69.87(11) . .
C19 C20 H16 126.0 . .
C16 C20 H16 126.0 . .
Fe2 C20 H16 125.4 . .
C25 C21 C22 107.42(19) . .
C25 C21 P3 124.98(16) . .
C22 C21 P3 125.08(16) . .
C25 C21 Fe3 69.89(11) . .
C22 C21 Fe3 68.91(12) . .
P3 C21 Fe3 140.60(11) . .
C23 C22 C21 107.9(2) . .
C23 C22 Fe3 69.22(12) . .
C21 C22 Fe3 70.33(11) . .
C23 C22 H17 126.1 . .
C21 C22 H17 126.1 . .
Fe3 C22 H17 126.0 . .
C22 C23 C24 108.4(2) . .
C22 C23 Fe3 70.23(12) . .
C24 C23 Fe3 70.29(12) . .
C22 C23 H18 125.8 . .
C24 C23 H18 125.8 . .
Fe3 C23 H18 125.3 . .
C25 C24 C23 107.9(2) . .
C25 C24 Fe3 70.50(12) . .
C23 C24 Fe3 69.02(13) . .
C25 C24 H19 126.1 . .
C23 C24 H19 126.1 . .
Fe3 C24 H19 126.0 . .
C24 C25 C21 108.40(19) . .
C24 C25 Fe3 69.29(13) . .
C21 C25 Fe3 69.84(12) . .
C24 C25 H20 125.8 . .
C21 C25 H20 125.8 . .
Fe3 C25 H20 126.7 . .
C27 C26 C30 107.34(17) . .
C27 C26 P1 129.19(15) . .
C30 C26 P1 123.37(15) . .
C27 C26 Fe3 70.20(11) . .
C30 C26 Fe3 69.33(11) . .
P1 C26 Fe3 128.56(10) . .
C28 C27 C26 108.11(17) . .
C28 C27 Fe3 70.66(11) . .
C26 C27 Fe3 68.89(11) . .
C28 C27 H21 125.9 . .
C26 C27 H21 125.9 . .
Fe3 C27 H21 126.1 . .
C27 C28 C29 108.01(17) . .
C27 C28 Fe3 69.21(11) . .
C29 C28 Fe3 69.26(12) . .
C27 C28 H22 126.0 . .
C29 C28 H22 126.0 . .
Fe3 C28 H22 127.1 . .
C30 C29 C28 108.64(18) . .
C30 C29 Fe3 69.06(12) . .
C28 C29 Fe3 70.55(11) . .
C30 C29 H23 125.7 . .
C28 C29 H23 125.7 . .
Fe3 C29 H23 126.3 . .
C29 C30 C26 107.90(18) . .
C29 C30 Fe3 70.65(12) . .
C26 C30 Fe3 69.42(11) . .
C29 C30 H24 126.0 . .
C26 C30 H24 126.0 . .
Fe3 C30 H24 125.5 . .
C36 C31 C32 119.3(2) . .
C36 C31 P1 120.67(16) . .
C32 C31 P1 120.00(18) . .
C33 C32 C31 119.7(2) . .
C33 C32 H25 120.2 . .
C31 C32 H25 120.2 . .
C34 C33 C32 120.6(2) . .
C34 C33 H26 119.7 . .
C32 C33 H26 119.7 . .
C33 C34 C35 120.0(2) . .
C33 C34 H27 120.0 . .
C35 C34 H27 120.0 . .
C34 C35 C36 120.2(3) . .
C34 C35 H28 119.9 . .
C36 C35 H28 119.9 . .
C35 C36 C31 120.2(2) . .
C35 C36 H29 119.9 . .
C31 C36 H29 119.9 . .
C42 C37 C38 119.4(2) . .
C42 C37 P2 120.65(16) . .
C38 C37 P2 119.9(2) . .
C39 C38 C37 120.2(3) . .
C39 C38 H30 119.9 . .
C37 C38 H30 119.9 . .
C40 C39 C38 120.0(2) . .
C40 C39 H31 120.0 . .
C38 C39 H31 120.0 . .
C39 C40 C41 120.3(3) . .
C39 C40 H32 119.8 . .
C41 C40 H32 119.8 . .
C40 C41 C42 119.9(3) . .
C40 C41 H33 120.0 . .
C42 C41 H33 120.0 . .
C41 C42 C37 120.1(2) . .
C41 C42 H34 120.0 . .
C37 C42 H34 120.0 . .
C44 C43 C48 119.5(2) . .
C44 C43 P3 121.72(15) . .
C48 C43 P3 118.70(18) . .
C43 C44 C45 120.0(2) . .
C43 C44 H35 120.0 . .
C45 C44 H35 120.0 . .
C46 C45 C44 120.0(2) . .
C46 C45 H36 120.0 . .
C44 C45 H36 120.0 . .
C47 C46 C45 120.1(2) . .
C47 C46 H37 119.9 . .
C45 C46 H37 119.9 . .
C46 C47 C48 120.3(2) . .
C46 C47 H38 119.8 . .
C48 C47 H38 119.8 . .
C47 C48 C43 119.9(2) . .
C47 C48 H39 120.0 . .
C43 C48 H39 120.0 . .
C53 C49 C50 107.2(2) . .
C53 C49 P4 126.44(16) . .
C50 C49 P4 124.31(17) . .
C53 C49 Fe4 69.66(12) . .
C50 C49 Fe4 69.16(13) . .
P4 C49 Fe4 139.02(12) . .
C51 C50 C49 108.3(2) . .
C51 C50 Fe4 69.73(14) . .
C49 C50 Fe4 70.04(12) . .
C51 C50 H40 125.9 . .
C49 C50 H40 125.9 . .
Fe4 C50 H40 126.0 . .
C50 C51 C52 108.4(2) . .
C50 C51 Fe4 70.06(13) . .
C52 C51 Fe4 69.88(13) . .
C50 C51 H41 125.8 . .
C52 C51 H41 125.8 . .
Fe4 C51 H41 125.8 . .
C53 C52 C51 107.7(2) . .
C53 C52 Fe4 70.09(12) . .
C51 C52 Fe4 69.38(13) . .
C53 C52 H42 126.2 . .
C51 C52 H42 126.2 . .
Fe4 C52 H42 125.9 . .
C52 C53 C49 108.5(2) . .
C52 C53 Fe4 69.56(13) . .
C49 C53 Fe4 69.85(12) . .
C52 C53 H43 125.8 . .
C49 C53 H43 125.8 . .
Fe4 C53 H43 126.4 . .
C55 C54 C58 107.46(18) . .
C55 C54 P5 128.99(15) . .
C58 C54 P5 123.23(16) . .
C55 C54 Fe4 69.96(12) . .
C58 C54 Fe4 69.30(12) . .
P5 C54 Fe4 130.93(11) . .
C56 C55 C54 107.97(18) . .
C56 C55 Fe4 70.06(12) . .
C54 C55 Fe4 69.25(12) . .
C56 C55 H44 126.0 . .
C54 C55 H44 126.0 . .
Fe4 C55 H44 126.2 . .
C57 C56 C55 108.26(19) . .
C57 C56 Fe4 69.54(12) . .
C55 C56 Fe4 69.52(12) . .
C57 C56 H45 125.9 . .
C55 C56 H45 125.9 . .
Fe4 C56 H45 126.6 . .
C58 C57 C56 108.20(19) . .
C58 C57 Fe4 69.28(12) . .
C56 C57 Fe4 70.05(12) . .
C58 C57 H46 125.9 . .
C56 C57 H46 125.9 . .
Fe4 C57 H46 126.3 . .
C57 C58 C54 108.11(19) . .
C57 C58 Fe4 70.29(12) . .
C54 C58 Fe4 69.56(12) . .
C57 C58 H47 125.9 . .
C54 C58 H47 125.9 . .
Fe4 C58 H47 125.8 . .
C63 C59 C60 107.45(19) . .
C63 C59 P5 126.44(17) . .
C60 C59 P5 123.72(16) . .
C63 C59 Fe5 69.71(12) . .
C60 C59 Fe5 69.08(12) . .
P5 C59 Fe5 140.18(11) . .
C61 C60 C59 107.8(2) . .
C61 C60 Fe5 69.56(13) . .
C59 C60 Fe5 70.17(12) . .
C61 C60 H48 126.1 . .
C59 C60 H48 126.1 . .
Fe5 C60 H48 125.8 . .
C62 C61 C60 108.6(2) . .
C62 C61 Fe5 70.17(13) . .
C60 C61 Fe5 69.83(13) . .
C62 C61 H49 125.7 . .
C60 C61 H49 125.7 . .
Fe5 C61 H49 125.9 . .
C61 C62 C63 108.0(2) . .
C61 C62 Fe5 69.49(14) . .
C63 C62 Fe5 70.10(12) . .
C61 C62 H50 126.0 . .
C63 C62 H50 126.0 . .
Fe5 C62 H50 126.0 . .
C62 C63 C59 108.1(2) . .
C62 C63 Fe5 69.43(14) . .
C59 C63 Fe5 69.74(12) . .
C62 C63 H51 125.9 . .
C59 C63 H51 125.9 . .
Fe5 C63 H51 126.5 . .
C65 C64 C68 107.28(19) . .
C65 C64 P6 127.97(16) . .
C68 C64 P6 123.89(16) . .
C65 C64 Fe5 69.87(11) . .
C68 C64 Fe5 69.70(12) . .
P6 C64 Fe5 133.79(12) . .
C66 C65 C64 108.12(18) . .
C66 C65 Fe5 70.13(12) . .
C64 C65 Fe5 69.18(11) . .
C66 C65 H52 125.9 . .
C64 C65 H52 125.9 . .
Fe5 C65 H52 126.3 . .
C67 C66 C65 108.18(19) . .
C67 C66 Fe5 70.06(13) . .
C65 C66 Fe5 69.53(12) . .
C67 C66 H53 125.9 . .
C65 C66 H53 125.9 . .
Fe5 C66 H53 126.1 . .
C68 C67 C66 108.5(2) . .
C68 C67 Fe5 69.27(14) . .
C66 C67 Fe5 69.75(13) . .
C68 C67 H54 125.8 . .
C66 C67 H54 125.8 . .
Fe5 C67 H54 126.8 . .
C67 C68 C64 107.94(19) . .
C67 C68 Fe5 70.44(13) . .
C64 C68 Fe5 69.26(12) . .
C67 C68 H55 126.0 . .
C64 C68 H55 126.0 . .
Fe5 C68 H55 125.8 . .
C73 C69 C70 107.3(2) . .
C73 C69 P6 124.80(18) . .
C70 C69 P6 125.42(17) . .
C73 C69 Fe6 69.77(12) . .
C70 C69 Fe6 69.14(13) . .
P6 C69 Fe6 140.34(12) . .
C71 C70 C69 108.2(2) . .
C71 C70 Fe6 69.57(14) . .
C69 C70 Fe6 70.03(12) . .
C71 C70 H56 125.9 . .
C69 C70 H56 125.9 . .
Fe6 C70 H56 126.1 . .
C70 C71 C72 108.5(2) . .
C70 C71 Fe6 69.99(14) . .
C72 C71 Fe6 69.93(13) . .
C70 C71 H57 125.7 . .
C72 C71 H57 125.7 . .
Fe6 C71 H57 125.9 . .
C71 C72 C73 107.9(2) . .
C71 C72 Fe6 69.45(15) . .
C73 C72 Fe6 70.22(13) . .
C71 C72 H58 126.1 . .
C73 C72 H58 126.1 . .
Fe6 C72 H58 125.9 . .
C72 C73 C69 108.1(2) . .
C72 C73 Fe6 69.20(14) . .
C69 C73 Fe6 69.58(13) . .
C72 C73 H59 126.0 . .
C69 C73 H59 126.0 . .
Fe6 C73 H59 126.8 . .
C75 C74 C78 107.28(19) . .
C75 C74 P4 128.84(16) . .
C78 C74 P4 123.45(17) . .
C75 C74 Fe6 70.00(12) . .
C78 C74 Fe6 69.54(13) . .
P4 C74 Fe6 131.41(12) . .
C76 C75 C74 108.1(2) . .
C76 C75 Fe6 70.06(13) . .
C74 C75 Fe6 69.10(12) . .
C76 C75 H60 125.9 . .
C74 C75 H60 125.9 . .
Fe6 C75 H60 126.5 . .
C75 C76 C77 108.1(2) . .
C75 C76 Fe6 69.57(12) . .
C77 C76 Fe6 69.63(14) . .
C75 C76 H61 126.0 . .
C77 C76 H61 126.0 . .
Fe6 C76 H61 126.4 . .
C78 C77 C76 108.6(2) . .
C78 C77 Fe6 69.47(14) . .
C76 C77 Fe6 70.01(13) . .
C78 C77 H62 125.7 . .
C76 C77 H62 125.7 . .
Fe6 C77 H62 126.4 . .
C77 C78 C74 107.9(2) . .
C77 C78 Fe6 70.22(14) . .
C74 C78 Fe6 69.27(12) . .
C77 C78 H63 126.0 . .
C74 C78 H63 126.0 . .
Fe6 C78 H63 126.0 . .
C84 C79 C80 119.4(2) . .
C84 C79 P4 121.34(18) . .
C80 C79 P4 119.2(2) . .
C79 C80 C81 119.5(3) . .
C79 C80 H64 120.3 . .
C81 C80 H64 120.3 . .
C82 C81 C80 120.9(3) . .
C82 C81 H65 119.5 . .
C80 C81 H65 119.5 . .
C81 C82 C83 119.7(3) . .
C81 C82 H66 120.1 . .
C83 C82 H66 120.1 . .
C82 C83 C84 120.2(3) . .
C82 C83 H67 119.9 . .
C84 C83 H67 119.9 . .
C79 C84 C83 120.3(3) . .
C79 C84 H68 119.9 . .
C83 C84 H68 119.9 . .
C90 C85 C86 119.4(2) . .
C90 C85 P5 121.5(2) . .
C86 C85 P5 119.2(2) . .
C87 C86 C85 119.6(3) . .
C87 C86 H69 120.2 . .
C85 C86 H69 120.2 . .
C88 C87 C86 120.4(3) . .
C88 C87 H70 119.8 . .
C86 C87 H70 119.8 . .
C89 C88 C87 120.1(3) . .
C89 C88 H71 120.0 . .
C87 C88 H71 120.0 . .
C88 C89 C90 120.7(3) . .
C88 C89 H72 119.7 . .
C90 C89 H72 119.7 . .
C85 C90 C89 119.9(3) . .
C85 C90 H73 120.1 . .
C89 C90 H73 120.1 . .
C96 C91 C92 119.0(2) . .
C96 C91 P6 119.5(2) . .
C92 C91 P6 121.54(18) . .
C91 C92 C93 120.2(3) . .
C91 C92 H74 119.9 . .
C93 C92 H74 119.9 . .
C94 C93 C92 120.1(3) . .
C94 C93 H75 119.9 . .
C92 C93 H75 119.9 . .
C95 C94 C93 120.0(3) . .
C95 C94 H76 120.0 . .
C93 C94 H76 120.0 . .
C94 C95 C96 120.6(3) . .
C94 C95 H77 119.7 . .
C96 C95 H77 119.7 . .
C91 C96 C95 120.0(3) . .
C91 C96 H78 120.0 . .
C95 C96 H78 120.0 . .
C101 C97 C98 107.40(19) . .
C101 C97 P7 129.19(17) . .
C98 C97 P7 123.17(17) . .
C101 C97 Fe7 70.06(13) . .
C98 C97 Fe7 69.32(14) . .
P7 C97 Fe7 130.16(12) . .
C99 C98 C97 108.1(2) . .
C99 C98 Fe7 70.42(15) . .
C97 C98 Fe7 69.68(13) . .
C99 C98 H79 125.9 . .
C97 C98 H79 125.9 . .
Fe7 C98 H79 125.5 . .
C98 C99 C100 108.2(2) . .
C98 C99 Fe7 69.28(14) . .
C100 C99 Fe7 69.84(14) . .
C98 C99 H80 125.9 . .
C100 C99 H80 125.9 . .
Fe7 C99 H80 126.5 . .
C101 C100 C99 108.3(2) . .
C101 C100 Fe7 69.90(13) . .
C99 C100 Fe7 69.79(15) . .
C101 C100 H81 125.8 . .
C99 C100 H81 125.8 . .
Fe7 C100 H81 126.0 . .
C100 C101 C97 108.0(2) . .
C100 C101 Fe7 69.86(14) . .
C97 C101 Fe7 69.20(13) . .
C100 C101 H82 126.0 . .
C97 C101 H82 126.0 . .
Fe7 C101 H82 126.5 . .
C103 C102 C106 106.8(2) . .
C103 C102 P7 125.68(19) . 3
C106 C102 P7 124.91(18) . 3
C103 C102 Fe7 69.76(14) . .
C106 C102 Fe7 68.95(14) . .
P7 C102 Fe7 140.62(12) 3 .
C104 C103 C102 108.9(2) . .
C104 C103 Fe7 69.79(15) . .
C102 C103 Fe7 69.88(14) . .
C104 C103 H83 125.5 . .
C102 C103 H83 125.5 . .
Fe7 C103 H83 126.4 . .
C105 C104 C103 107.7(2) . .
C105 C104 Fe7 69.50(16) . .
C103 C104 Fe7 70.07(14) . .
C105 C104 H84 126.1 . .
C103 C104 H84 126.1 . .
Fe7 C104 H84 125.9 . .
C104 C105 C106 108.6(2) . .
C104 C105 Fe7 70.28(15) . .
C106 C105 Fe7 69.76(14) . .
C104 C105 H85 125.7 . .
C106 C105 H85 125.7 . .
Fe7 C105 H85 125.9 . .
C105 C106 C102 108.0(2) . .
C105 C106 Fe7 69.85(15) . .
C102 C106 Fe7 70.21(13) . .
C105 C106 H86 126.0 . .
C102 C106 H86 126.0 . .
Fe7 C106 H86 125.5 . .
C112 C107 C108 119.5(3) . .
C112 C107 P7 121.4(2) . .
C108 C107 P7 119.1(2) . .
C107 C108 C109 119.2(4) . .
C107 C108 H87 120.4 . .
C109 C108 H87 120.4 . .
C110 C109 C108 121.1(4) . .
C110 C109 H88 119.5 . .
C108 C109 H88 119.5 . .
C109 C110 C111 120.0(3) . .
C109 C110 H89 120.0 . .
C111 C110 H89 120.0 . .
C110 C111 C112 120.5(4) . .
C110 C111 H90 119.8 . .
C112 C111 H90 119.8 . .
C107 C112 C111 119.7(4) . .
C107 C112 H91 120.2 . .
C111 C112 H91 120.2 . .
C113 O1 C116 107.7(3) . .
O1 C113 C114 110.0(4) . .
O1 C113 H92 109.7 . .
C114 C113 H92 109.7 . .
O1 C113 H93 109.7 . .
C114 C113 H93 109.7 . .
H92 C113 H93 108.2 . .
C113 C114 C115 104.2(3) . .
C113 C114 H94 110.9 . .
C115 C114 H94 110.9 . .
C113 C114 H95 110.9 . .
C115 C114 H95 110.9 . .
H94 C114 H95 108.9 . .
C116 C115 C114 104.6(3) . .
C116 C115 H96 110.8 . .
C114 C115 H96 110.8 . .
C116 C115 H97 110.8 . .
C114 C115 H97 110.8 . .
H96 C115 H97 108.9 . .
O1 C116 C115 106.2(3) . .
O1 C116 H98 110.5 . .
C115 C116 H98 110.5 . .
O1 C116 H99 110.5 . .
C115 C116 H99 110.5 . .
H98 C116 H99 108.7 . .
C120 O2 C117 110.5(4) . .
O2 C117 C118 107.3(4) . .
O2 C117 H100 110.3 . .
C118 C117 H100 110.3 . .
O2 C117 H101 110.3 . .
C118 C117 H101 110.3 . .
H100 C117 H101 108.5 . .
C119 C118 C117 104.5(4) . .
C119 C118 H102 110.8 . .
C117 C118 H102 110.8 . .
C119 C118 H103 110.8 . .
C117 C118 H103 110.8 . .
H102 C118 H103 108.9 . .
C120 C119 C118 103.9(5) . .
C120 C119 H104 111.0 . .
C118 C119 H104 111.0 . .
C120 C119 H105 111.0 . .
C118 C119 H105 111.0 . .
H104 C119 H105 109.0 . .
O2 C120 C119 110.8(6) . .
O2 C120 H106 109.5 . .
C119 C120 H106 109.5 . .
O2 C120 H107 109.5 . .
C119 C120 H107 109.5 . .
H106 C120 H107 108.1 . .
C124 O3 C121 106.3(5) . .
O3 C121 C122 112.1(6) . .
O3 C121 H108 109.2 . .
C122 C121 H108 109.2 . .
O3 C121 H109 109.2 . .
C122 C121 H109 109.2 . .
H108 C121 H109 107.9 . .
C121 C122 C123 102.4(6) . .
C121 C122 H110 111.3 . .
C123 C122 H110 111.3 . .
C121 C122 H111 111.3 . .
C123 C122 H111 111.3 . .
H110 C122 H111 109.2 . .
C124 C123 C122 106.1(5) . .
C124 C123 H112 110.5 . .
C122 C123 H112 110.5 . .
C124 C123 H113 110.5 . .
C122 C123 H113 110.5 . .
H112 C123 H113 108.7 . .
O3 C124 C123 105.7(6) . .
O3 C124 H114 110.6 . .
C123 C124 H114 110.6 . .
O3 C124 H115 110.6 . .
C123 C124 H115 110.6 . .
H114 C124 H115 108.7 . .
C125 O4 C128 110.5 . .
O4 C125 C126 109.0 . .
O4 C125 C128 129.4(8) . 11_556
C126 C125 C128 50.3(13) . 11_556
O4 C125 C127 128.9(10) . 11_556
C126 C125 C127 98.6(19) . 11_556
C128 C125 C127 49.2(10) 11_556 11_556
O4 C125 H116 106.8 . .
C126 C125 H116 112.2 . .
C128 C125 H116 123.6 11_556 .
C127 C125 H116 100.9 11_556 .
O4 C125 H117 106.8 . .
C126 C125 H117 112.2 . .
C128 C125 H117 62.3 11_556 .
C127 C125 H117 22.2 11_556 .
H116 C125 H117 109.5 . .
C128 C126 C127 128.7(9) 11_556 .
C128 C126 C125 67(2) 11_556 .
C127 C126 C125 105.8 . .
C128 C126 H118 44.1 11_556 .
C127 C126 H118 111.0 . .
C125 C126 H118 110.7 . .
C128 C126 H119 119.0 11_556 .
C127 C126 H119 111.0 . .
C125 C126 H119 110.7 . .
H118 C126 H119 107.6 . .
C126 C127 C128 105.8 . .
C126 C127 C125 152.3(9) . 12_556
C128 C127 C125 51.7(15) . 12_556
C126 C127 H120 111.0 . .
C128 C127 H120 110.7 . .
C125 C127 H120 70.6 12_556 .
C126 C127 H121 111.0 . .
C128 C127 H121 110.7 . .
C125 C127 H121 93.8 12_556 .
H120 C127 H121 107.6 . .
C126 C128 O4 112(2) 12_556 .
C126 C128 C127 140(2) 12_556 .
O4 C128 C127 109.0 . .
C126 C128 C125 62.7(15) 12_556 12_556
O4 C128 C125 160.6(8) . 12_556
C127 C128 C125 79.1(15) . 12_556
C126 C128 H122 55.6 12_556 .
O4 C128 H122 106.8 . .
C127 C128 H122 112.2 . .
C125 C128 H122 54.1 12_556 .
C126 C128 H123 54.9 12_556 .
O4 C128 H123 106.8 . .
C127 C128 H123 112.2 . .
C125 C128 H123 85.3 12_556 .
H122 C128 H123 109.6 . .
C132 O5 C129 110.5 . .
O5 C129 C130 109.0 . .
C131 C130 C129 105.8 . .
C130 C131 C132 105.8 . .
O5 C132 C131 109.0 . .
O6 O6 O6 60.0 2 3
O6 O6 C133 71(2) 2 2
O6 O6 C133 117.8(11) 3 2
O6 O6 C136 115.8(11) 2 3
O6 O6 C136 70(2) 3 3
C133 O6 C136 103.0(9) 2 3
O6 O6 C133 104(2) 2 .
O6 O6 C133 54(2) 3 .
C133 O6 C133 109.9(13) 2 .
C136 O6 C133 15(3) 3 .
O6 O6 C136 57(2) 2 .
O6 O6 C136 106(2) 3 .
C133 O6 C136 15(3) 2 .
C136 O6 C136 107.5(13) 3 .
C133 O6 C136 110.5 . .
C136 C133 O6 114(5) 3 3
C136 C133 O6 60(5) 3 .
O6 C133 O6 54.2(15) 3 .
C136 C133 C134 92(2) 3 .
O6 C133 C134 104.9(16) 3 .
O6 C133 C134 109.0 . .
C136 C133 C135 65(3) 3 3
O6 C133 C135 113(4) 3 3
O6 C133 C135 92(2) . 3
C134 C133 C135 27.7(19) . 3
C136 C133 C136 121(7) 3 2
O6 C133 C136 39.5(18) 3 2
O6 C133 C136 76(3) . 2
C134 C133 C136 66.0(3) . 2
C135 C133 C136 81(4) 3 2
C136 C133 C135 102(6) 3 2
O6 C133 C135 85(2) 3 2
O6 C133 C135 98(3) . 2
C134 C133 C135 20.3(12) . 2
C135 C133 C135 40(4) 3 2
C136 C133 C135 45.7(13) 2 2
C135 C134 C135 115(10) 2 3
C135 C134 C135 87(8) 2 10
C135 C134 C135 86(7) 3 10
C135 C134 C134 106(5) 2 12
C135 C134 C134 47.3(19) 3 12
C135 C134 C134 39(5) 10 12
C135 C134 C134 47(2) 2 11
C135 C134 C134 106(4) 3 11
C135 C134 C134 40(5) 10 11
C134 C134 C134 69(4) 12 11
C135 C134 C134 28(8) 2 3
C135 C134 C134 87(7) 3 3
C135 C134 C134 88(9) 10 3
C134 C134 C134 90.0(14) 12 3
C134 C134 C134 55.5(19) 11 3
C135 C134 C134 88(8) 2 2
C135 C134 C134 27(7) 3 2
C135 C134 C134 87(8) 10 2
C134 C134 C134 55.5(19) 12 2
C134 C134 C134 90.0(14) 11 2
C134 C134 C134 60.0 3 2
C135 C134 C135 57(9) 2 .
C135 C134 C135 57(7) 3 .
C135 C134 C135 86(10) 10 .
C134 C134 C135 70(2) 12 .
C134 C134 C135 69.9(18) 11 .
C134 C134 C135 30(3) 3 .
C134 C134 C135 30(3) 2 .
C135 C134 C133 115.0(5) 2 .
C135 C134 C133 85(3) 3 .
C135 C134 C133 158(8) 10 .
C134 C134 C133 127(2) 12 .
C134 C134 C133 162(3) 11 .
C134 C134 C133 111.8(4) 3 .
C134 C134 C133 94.0(10) 2 .
C135 C134 C133 105.8 . .
C135 C134 C135 41(3) 2 12
C135 C134 C135 86(8) 3 12
C135 C134 C135 54(9) 10 12
C134 C134 C135 65(2) 12 12
C134 C134 C135 27(3) 11 12
C134 C134 C135 34(2) 3 12
C134 C134 C135 65(4) 2 12
C135 C134 C135 43(3) . 12
C133 C134 C135 145(2) . 12
C135 C134 C135 86(9) 2 11
C135 C134 C135 41(3) 3 11
C135 C134 C135 54(8) 10 11
C134 C134 C135 28(3) 12 11
C134 C134 C135 65(2) 11 11
C134 C134 C135 64(3) 3 11
C134 C134 C135 33.6(14) 2 11
C135 C134 C135 42(2) . 11
C133 C134 C135 125.0(14) . 11
C135 C134 C135 48(5) 12 11
C135 C134 C136 121(3) 2 3
C135 C134 C136 71(3) 3 3
C135 C134 C136 149(8) 10 3
C134 C134 C136 114(3) 12 3
C134 C134 C136 166(3) 11 3
C134 C134 C136 110.9(17) 3 3
C134 C134 C136 82(2) 2 3
C135 C134 C136 98.0(19) . 3
C133 C134 C136 14(2) . 3
C135 C134 C136 140(3) 12 3
C135 C134 C136 111(2) 11 3
C134 C135 C134 125(10) 3 2
C134 C135 C134 94(8) 3 10
C134 C135 C134 93(7) 2 10
C134 C135 C135 51(4) 3 12
C134 C135 C135 112(4) 2 12
C134 C135 C135 43(6) 10 12
C134 C135 C135 113(6) 3 11
C134 C135 C135 51(3) 2 11
C134 C135 C135 42(6) 10 11
C135 C135 C135 69(4) 12 11
C134 C135 C135 93(9) 3 3
C134 C135 C135 32(7) 2 3
C134 C135 C135 92(9) 10 3
C135 C135 C135 90.0(14) 12 3
C135 C135 C135 55(2) 11 3
C134 C135 C135 33(9) 3 2
C134 C135 C135 92(7) 2 2
C134 C135 C135 93(10) 10 2
C135 C135 C135 55(2) 12 2
C135 C135 C135 90.0(14) 11 2
C135 C135 C135 60.0 3 2
C134 C135 C134 63(9) 3 .
C134 C135 C134 63(7) 2 .
C134 C135 C134 94(10) 10 .
C135 C135 C134 71.4(19) 12 .
C135 C135 C134 72(2) 11 .
C135 C135 C134 30(3) 3 .
C135 C135 C134 30(3) 2 .
C134 C135 C136 111.5(11) 3 .
C134 C135 C136 80(3) 2 .
C134 C135 C136 153(9) 10 .
C135 C135 C136 162(3) 12 .
C135 C135 C136 127(3) 11 .
C135 C135 C136 95.5(10) 3 .
C135 C135 C136 113.4(3) 2 .
C134 C135 C136 105.8 . .
C134 C135 C134 47(4) 3 11
C134 C135 C134 94(8) 2 11
C134 C135 C134 59(9) 10 11
C135 C135 C134 26(3) 12 11
C135 C135 C134 66(2) 11 11
C135 C135 C134 66(4) 3 11
C135 C135 C134 34(2) 2 11
C134 C135 C134 45(3) . 11
C136 C135 C134 147(2) . 11
C134 C135 C134 94(9) 3 12
C134 C135 C134 46(3) 2 12
C134 C135 C134 58(8) 10 12
C135 C135 C134 66(3) 12 12
C135 C135 C134 27(3) 11 12
C135 C135 C134 33.6(16) 3 12
C135 C135 C134 66(4) 2 12
C134 C135 C134 45(3) . 12
C136 C135 C134 125.5(15) . 12
C134 C135 C134 51(5) 11 12
C134 C135 C133 118(2) 3 2
C134 C135 C133 67(3) 2 2
C134 C135 C133 148(9) 10 2
C135 C135 C133 167(3) 12 2
C135 C135 C133 115(3) 11 2
C135 C135 C133 83(2) 3 2
C135 C135 C133 111.3(16) 2 2
C134 C135 C133 97.4(18) . 2
C136 C135 C133 14(2) . 2
C134 C135 C133 142(3) 11 2
C134 C135 C133 112(3) 12 2
C133 C136 O6 105(5) 2 2
C133 C136 O6 52(5) 2 .
O6 C136 O6 53.4(14) 2 .
C133 C136 C135 102(3) 2 .
O6 C136 C135 104.1(15) 2 .
O6 C136 C135 109.0 . .
C133 C136 C134 73(3) 2 2
O6 C136 C134 114(4) 2 2
O6 C136 C134 93(2) . 2
C135 C136 C134 29(2) . 2
C133 C136 C134 111(6) 2 3
O6 C136 C134 83(2) 2 3
O6 C136 C134 100(3) . 3
C135 C136 C134 21.3(12) . 3
C134 C136 C134 44(4) 2 3
C133 C136 C133 119(7) 2 3
O6 C136 C133 37.5(17) 2 3
O6 C136 C133 75(3) . 3
C135 C136 C133 67.4(4) . 3
C134 C136 C133 84(4) 2 3
C134 C136 C133 46.1(13) 3 3
C137 O7 C140 110.5 . .
O7 C137 C138 109.0 . .
C139 C138 C137 105.8 . .
C138 C139 C140 105.8 . .
O7 C140 C139 109.0 . .
C144 O8 C141 110.5 . .
O8 C141 C142 109.0 . .
C143 C142 C141 105.8 . .
C142 C143 C144 105.8 . .
O8 C144 C143 109.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C10 2.043(2) .
Fe1 C3 2.051(2) .
Fe1 C6 2.052(2) .
Fe1 C2 2.059(2) .
Fe1 C4 2.061(2) .
Fe1 C9 2.062(2) .
Fe1 C5 2.067(2) .
Fe1 C7 2.070(2) .
Fe1 C1 2.074(2) .
Fe1 C8 2.081(2) .
Fe2 C20 2.043(2) .
Fe2 C13 2.048(2) .
Fe2 C16 2.0527(19) .
Fe2 C14 2.053(2) .
Fe2 C12 2.056(2) .
Fe2 C19 2.057(2) .
Fe2 C17 2.0659(19) .
Fe2 C15 2.066(2) .
Fe2 C18 2.076(2) .
Fe2 C11 2.077(2) .
Fe3 C23 2.039(2) .
Fe3 C30 2.042(2) .
Fe3 C26 2.0430(19) .
Fe3 C22 2.052(2) .
Fe3 C24 2.056(2) .
Fe3 C27 2.0606(19) .
Fe3 C29 2.063(2) .
Fe3 C21 2.071(2) .
Fe3 C25 2.072(2) .
Fe3 C28 2.080(2) .
Fe4 C58 2.047(2) .
Fe4 C51 2.048(2) .
Fe4 C54 2.050(2) .
Fe4 C50 2.052(2) .
Fe4 C52 2.055(2) .
Fe4 C55 2.060(2) .
Fe4 C57 2.060(2) .
Fe4 C53 2.062(2) .
Fe4 C49 2.064(2) .
Fe4 C56 2.067(2) .
Fe5 C64 2.044(2) .
Fe5 C61 2.046(2) .
Fe5 C60 2.050(2) .
Fe5 C68 2.050(2) .
Fe5 C65 2.053(2) .
Fe5 C62 2.055(2) .
Fe5 C66 2.061(2) .
Fe5 C63 2.064(2) .
Fe5 C59 2.064(2) .
Fe5 C67 2.065(2) .
Fe6 C74 2.043(2) .
Fe6 C71 2.047(2) .
Fe6 C78 2.047(2) .
Fe6 C70 2.052(2) .
Fe6 C72 2.053(2) .
Fe6 C75 2.055(2) .
Fe6 C77 2.057(2) .
Fe6 C76 2.062(2) .
Fe6 C69 2.064(2) .
Fe6 C73 2.067(2) .
Fe7 C98 2.049(3) .
Fe7 C106 2.054(2) .
Fe7 C97 2.054(2) .
Fe7 C105 2.055(3) .
Fe7 C99 2.064(3) .
Fe7 C100 2.065(2) .
Fe7 C104 2.065(3) .
Fe7 C101 2.065(2) .
Fe7 C103 2.069(3) .
Fe7 C102 2.070(2) .
S1 P1 1.9586(7) .
S2 P2 1.9585(8) .
S3 P3 1.9582(7) .
S4 P4 1.9538(8) .
S5 P5 1.9507(8) .
S6 P6 1.9530(8) .
S7 P7 1.9471(8) .
P1 C26 1.7915(19) .
P1 C1 1.796(2) .
P1 C31 1.815(2) .
P2 C6 1.790(2) .
P2 C11 1.797(2) .
P2 C37 1.817(2) .
P3 C21 1.793(2) .
P3 C16 1.793(2) .
P3 C43 1.817(2) .
P4 C74 1.793(2) .
P4 C49 1.802(2) .
P4 C79 1.818(2) .
P5 C54 1.794(2) .
P5 C59 1.799(2) .
P5 C85 1.817(2) .
P6 C69 1.795(2) .
P6 C64 1.796(2) .
P6 C91 1.813(2) .
P7 C97 1.792(2) .
P7 C102 1.794(2) 2
P7 C107 1.816(3) .
C1 C5 1.430(3) .
C1 C2 1.438(3) .
C2 C3 1.416(3) .
C2 H1 0.9500 .
C3 C4 1.422(4) .
C3 H2 0.9500 .
C4 C5 1.423(3) .
C4 H3 0.9500 .
C5 H4 0.9500 .
C6 C7 1.428(3) .
C6 C10 1.439(3) .
C7 C8 1.421(3) .
C7 H5 0.9500 .
C8 C9 1.418(3) .
C8 H6 0.9500 .
C9 C10 1.416(3) .
C9 H7 0.9500 .
C10 H8 0.9500 .
C11 C15 1.432(3) .
C11 C12 1.442(3) .
C12 C13 1.418(3) .
C12 H9 0.9500 .
C13 C14 1.420(4) .
C13 H10 0.9500 .
C14 C15 1.428(3) .
C14 H11 0.9500 .
C15 H12 0.9500 .
C16 C17 1.433(3) .
C16 C20 1.434(3) .
C17 C18 1.422(3) .
C17 H13 0.9500 .
C18 C19 1.415(3) .
C18 H14 0.9500 .
C19 C20 1.417(3) .
C19 H15 0.9500 .
C20 H16 0.9500 .
C21 C25 1.426(3) .
C21 C22 1.436(3) .
C22 C23 1.418(3) .
C22 H17 0.9500 .
C23 C24 1.424(4) .
C23 H18 0.9500 .
C24 C25 1.419(3) .
C24 H19 0.9500 .
C25 H20 0.9500 .
C26 C27 1.434(3) .
C26 C30 1.439(3) .
C27 C28 1.420(3) .
C27 H21 0.9500 .
C28 C29 1.423(3) .
C28 H22 0.9500 .
C29 C30 1.414(3) .
C29 H23 0.9500 .
C30 H24 0.9500 .
C31 C36 1.388(3) .
C31 C32 1.393(3) .
C32 C33 1.386(4) .
C32 H25 0.9500 .
C33 C34 1.374(4) .
C33 H26 0.9500 .
C34 C35 1.376(4) .
C34 H27 0.9500 .
C35 C36 1.385(3) .
C35 H28 0.9500 .
C36 H29 0.9500 .
C37 C42 1.392(4) .
C37 C38 1.393(3) .
C38 C39 1.388(4) .
C38 H30 0.9500 .
C39 C40 1.379(5) .
C39 H31 0.9500 .
C40 C41 1.385(4) .
C40 H32 0.9500 .
C41 C42 1.391(4) .
C41 H33 0.9500 .
C42 H34 0.9500 .
C43 C44 1.384(3) .
C43 C48 1.392(3) .
C44 C45 1.393(3) .
C44 H35 0.9500 .
C45 C46 1.381(4) .
C45 H36 0.9500 .
C46 C47 1.372(4) .
C46 H37 0.9500 .
C47 C48 1.389(4) .
C47 H38 0.9500 .
C48 H39 0.9500 .
C49 C53 1.427(3) .
C49 C50 1.435(3) .
C50 C51 1.409(4) .
C50 H40 0.9500 .
C51 C52 1.428(4) .
C51 H41 0.9500 .
C52 C53 1.420(3) .
C52 H42 0.9500 .
C53 H43 0.9500 .
C54 C55 1.432(3) .
C54 C58 1.439(3) .
C55 C56 1.426(3) .
C55 H44 0.9500 .
C56 C57 1.425(3) .
C56 H45 0.9500 .
C57 C58 1.419(3) .
C57 H46 0.9500 .
C58 H47 0.9500 .
C59 C63 1.431(3) .
C59 C60 1.432(3) .
C60 C61 1.422(3) .
C60 H48 0.9500 .
C61 C62 1.414(4) .
C61 H49 0.9500 .
C62 C63 1.425(3) .
C62 H50 0.9500 .
C63 H51 0.9500 .
C64 C65 1.433(3) .
C64 C68 1.435(3) .
C65 C66 1.419(3) .
C65 H52 0.9500 .
C66 C67 1.418(3) .
C66 H53 0.9500 .
C67 C68 1.417(3) .
C67 H54 0.9500 .
C68 H55 0.9500 .
C69 C73 1.435(3) .
C69 C70 1.436(3) .
C70 C71 1.417(4) .
C70 H56 0.9500 .
C71 C72 1.423(4) .
C71 H57 0.9500 .
C72 C73 1.429(3) .
C72 H58 0.9500 .
C73 H59 0.9500 .
C74 C75 1.432(3) .
C74 C78 1.439(3) .
C75 C76 1.420(3) .
C75 H60 0.9500 .
C76 C77 1.421(4) .
C76 H61 0.9500 .
C77 C78 1.414(4) .
C77 H62 0.9500 .
C78 H63 0.9500 .
C79 C84 1.384(3) .
C79 C80 1.388(3) .
C80 C81 1.394(4) .
C80 H64 0.9500 .
C81 C82 1.368(5) .
C81 H65 0.9500 .
C82 C83 1.378(5) .
C82 H66 0.9500 .
C83 C84 1.390(4) .
C83 H67 0.9500 .
C84 H68 0.9500 .
C85 C90 1.385(4) .
C85 C86 1.393(4) .
C86 C87 1.392(4) .
C86 H69 0.9500 .
C87 C88 1.369(6) .
C87 H70 0.9500 .
C88 C89 1.366(6) .
C88 H71 0.9500 .
C89 C90 1.388(4) .
C89 H72 0.9500 .
C90 H73 0.9500 .
C91 C96 1.383(3) .
C91 C92 1.386(3) .
C92 C93 1.389(4) .
C92 H74 0.9500 .
C93 C94 1.373(5) .
C93 H75 0.9500 .
C94 C95 1.362(6) .
C94 H76 0.9500 .
C95 C96 1.390(4) .
C95 H77 0.9500 .
C96 H78 0.9500 .
C97 C101 1.434(3) .
C97 C98 1.437(3) .
C98 C99 1.417(3) .
C98 H79 0.9500 .
C99 C100 1.425(4) .
C99 H80 0.9500 .
C100 C101 1.421(3) .
C100 H81 0.9500 .
C101 H82 0.9500 .
C102 C103 1.428(3) .
C102 C106 1.439(3) .
C102 P7 1.794(2) 3
C103 C104 1.418(3) .
C103 H83 0.9500 .
C104 C105 1.417(4) .
C104 H84 0.9500 .
C105 C106 1.418(4) .
C105 H85 0.9500 .
C106 H86 0.9500 .
C107 C112 1.378(4) .
C107 C108 1.389(4) .
C108 C109 1.398(5) .
C108 H87 0.9500 .
C109 C110 1.347(7) .
C109 H88 0.9500 .
C110 C111 1.366(7) .
C110 H89 0.9500 .
C111 C112 1.396(5) .
C111 H90 0.9500 .
C112 H91 0.9500 .
O1 C113 1.386(5) .
O1 C116 1.426(5) .
C113 C114 1.489(5) .
C113 H92 0.9900 .
C113 H93 0.9900 .
C114 C115 1.493(6) .
C114 H94 0.9900 .
C114 H95 0.9900 .
C115 C116 1.492(6) .
C115 H96 0.9900 .
C115 H97 0.9900 .
C116 H98 0.9900 .
C116 H99 0.9900 .
O2 C120 1.330(6) .
O2 C117 1.410(6) .
C117 C118 1.512(6) .
C117 H100 0.9900 .
C117 H101 0.9900 .
C118 C119 1.488(8) .
C118 H102 0.9900 .
C118 H103 0.9900 .
C119 C120 1.477(8) .
C119 H104 0.9900 .
C119 H105 0.9900 .
C120 H106 0.9900 .
C120 H107 0.9900 .
O3 C124 1.427(9) .
O3 C121 1.436(9) .
O3 H144 0.7943 .
O3 H145 1.2973 .
C121 C122 1.465(9) .
C121 H108 0.9900 .
C121 H109 0.9900 .
C121 H142 0.9772 .
C121 H143 1.2618 .
C122 C123 1.539(10) .
C122 H110 0.9900 .
C122 H111 0.9900 .
C122 H140 1.5621 .
C123 C124 1.514(9) .
C123 H112 0.9900 .
C123 H113 0.9900 .
C123 H147 0.8903 .
C124 H114 0.9900 .
C124 H115 0.9900 .
C124 H145 0.6065 .
O4 C125 1.4303 .
O4 C128 1.4304 .
C125 C126 1.5250 .
C125 C128 1.58(4) 11_556
C125 C127 1.98(3) 11_556
C125 H116 1.0900 .
C125 H117 1.0900 .
C126 C128 1.32(3) 11_556
C126 C127 1.5226 .
C126 H118 1.0899 .
C126 H119 1.0899 .
C127 C128 1.5250 .
C127 C125 1.98(3) 12_556
C127 H120 1.0899 .
C127 H121 1.0901 .
C128 C126 1.32(3) 12_556
C128 C125 1.58(4) 12_556
C128 H122 1.0900 .
C128 H123 1.0901 .
O5 C132 1.4304 .
O5 C129 1.4304 .
O5 H155 1.0919 .
C129 C130 1.5249 .
C129 H124 1.0900 .
C129 H125 1.0899 .
C129 H151 1.2515 .
C129 H153 1.5400 .
C130 C131 1.5226 .
C130 H126 1.0900 .
C130 H127 1.0900 .
C130 H148 0.7749 .
C131 C132 1.5251 .
C131 H128 1.0898 .
C131 H129 1.0901 .
C131 H148 1.1639 .
C132 H130 1.0900 .
C132 H131 1.0900 .
C132 H155 1.2873 .
O6 O6 1.22(3) 2
O6 O6 1.22(3) 3
O6 C133 1.22(4) 2
O6 C136 1.28(4) 3
O6 C133 1.4303 .
O6 C136 1.4305 .
C133 C136 0.39(6) 3
C133 O6 1.22(4) 3
C133 C134 1.5250 .
C133 C135 1.65(4) 3
C133 C136 1.96(3) 2
C133 C135 1.97(4) 2
C133 H132 1.0899 .
C133 H133 1.0900 .
C134 C135 0.75(6) 2
C134 C135 0.77(6) 3
C134 C135 0.88(5) 10
C134 C134 1.20(7) 12
C134 C134 1.20(8) 11
C134 C134 1.35(11) 3
C134 C134 1.35(9) 2
C134 C135 1.5226 .
C134 C135 1.58(3) 12
C134 C135 1.59(4) 11
C134 C136 1.59(2) 3
C134 H134 1.0901 .
C134 H135 1.0900 .
C135 C134 0.75(6) 3
C135 C134 0.77(6) 2
C135 C134 0.88(4) 10
C135 C135 1.13(7) 12
C135 C135 1.13(7) 11
C135 C135 1.28(9) 3
C135 C135 1.28(11) 2
C135 C136 1.5249 .
C135 C134 1.58(3) 11
C135 C134 1.59(4) 12
C135 C133 1.65(2) 2
C135 H136 1.0901 .
C135 H137 1.0900 .
C136 C133 0.39(6) 2
C136 O6 1.28(4) 2
C136 C134 1.59(4) 2
C136 C134 1.93(4) 3
C136 C133 1.96(3) 3
C136 H138 1.0901 .
C136 H139 1.0901 .
O7 C137 1.4303 .
O7 C140 1.4305 .
C137 C138 1.5250 .
C137 H140 1.0900 .
C137 H141 1.0900 .
C138 C139 1.5225 .
C138 H142 1.0899 .
C138 H143 1.0900 .
C139 C140 1.5251 .
C139 H144 1.0900 .
C139 H145 1.0900 .
C140 H146 1.0899 .
C140 H147 1.0900 .
O8 C144 1.4304 .
O8 C141 1.4304 .
O8 H131 1.2424 .
C141 C142 1.5250 .
C141 H127 1.0252 .
C141 H148 1.0901 .
C141 H149 1.0901 .
C142 C143 1.5227 .
C142 H124 0.8182 .
C142 H150 1.0900 .
C142 H151 1.0899 .
C143 C144 1.5250 .
C143 H124 1.0642 .
C143 H152 1.0901 .
C143 H153 1.0899 .
C144 H131 1.4529 .
C144 H154 1.0901 .
C144 H155 1.0901 .
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
C26 P1 C1 C5 55.0(2) . .
C31 P1 C1 C5 167.63(18) . .
S1 P1 C1 C5 -70.67(19) . .
C26 P1 C1 C2 -143.20(18) . .
C31 P1 C1 C2 -30.5(2) . .
S1 P1 C1 C2 91.18(18) . .
C26 P1 C1 Fe1 -46.61(19) . .
C31 P1 C1 Fe1 66.06(18) . .
S1 P1 C1 Fe1 -172.24(14) . .
C10 Fe1 C1 C5 141.2(3) . .
C3 Fe1 C1 C5 81.07(14) . .
C6 Fe1 C1 C5 -42.7(3) . .
C2 Fe1 C1 C5 118.46(18) . .
C4 Fe1 C1 C5 37.32(13) . .
C9 Fe1 C1 C5 -174.26(13) . .
C7 Fe1 C1 C5 -86.46(14) . .
C8 Fe1 C1 C5 -130.48(12) . .
C10 Fe1 C1 C2 22.8(3) . .
C3 Fe1 C1 C2 -37.38(14) . .
C6 Fe1 C1 C2 -161.2(2) . .
C4 Fe1 C1 C2 -81.13(14) . .
C9 Fe1 C1 C2 67.28(16) . .
C5 Fe1 C1 C2 -118.46(17) . .
C7 Fe1 C1 C2 155.09(13) . .
C8 Fe1 C1 C2 111.06(14) . .
C10 Fe1 C1 P1 -95.2(3) . .
C3 Fe1 C1 P1 -155.4(2) . .
C6 Fe1 C1 P1 80.9(3) . .
C2 Fe1 C1 P1 -118.0(2) . .
C4 Fe1 C1 P1 160.9(2) . .
C9 Fe1 C1 P1 -50.7(2) . .
C5 Fe1 C1 P1 123.6(2) . .
C7 Fe1 C1 P1 37.1(2) . .
C8 Fe1 C1 P1 -6.9(2) . .
C5 C1 C2 C3 -0.1(3) . .
P1 C1 C2 C3 -165.07(17) . .
Fe1 C1 C2 C3 59.33(17) . .
C5 C1 C2 Fe1 -59.45(14) . .
P1 C1 C2 Fe1 135.60(16) . .
C10 Fe1 C2 C3 69.35(18) . .
C6 Fe1 C2 C3 41.6(3) . .
C4 Fe1 C2 C3 -37.71(15) . .
C9 Fe1 C2 C3 110.04(16) . .
C5 Fe1 C2 C3 -81.40(16) . .
C7 Fe1 C2 C3 177.8(2) . .
C1 Fe1 C2 C3 -119.3(2) . .
C8 Fe1 C2 C3 150.34(15) . .
C10 Fe1 C2 C1 -171.30(12) . .
C3 Fe1 C2 C1 119.3(2) . .
C6 Fe1 C2 C1 160.9(2) . .
C4 Fe1 C2 C1 81.64(14) . .
C9 Fe1 C2 C1 -130.61(13) . .
C5 Fe1 C2 C1 37.94(12) . .
C7 Fe1 C2 C1 -62.9(3) . .
C8 Fe1 C2 C1 -90.32(14) . .
C1 C2 C3 C4 0.2(3) . .
Fe1 C2 C3 C4 59.95(17) . .
C1 C2 C3 Fe1 -59.74(15) . .
C10 Fe1 C3 C2 -124.97(15) . .
C6 Fe1 C3 C2 -163.42(13) . .
C4 Fe1 C3 C2 119.2(2) . .
C9 Fe1 C3 C2 -84.69(16) . .
C5 Fe1 C3 C2 81.48(15) . .
C7 Fe1 C3 C2 -177.2(3) . .
C1 Fe1 C3 C2 37.76(14) . .
C8 Fe1 C3 C2 -60.8(2) . .
C10 Fe1 C3 C4 115.87(15) . .
C6 Fe1 C3 C4 77.42(16) . .
C2 Fe1 C3 C4 -119.2(2) . .
C9 Fe1 C3 C4 156.15(14) . .
C5 Fe1 C3 C4 -37.68(14) . .
C7 Fe1 C3 C4 63.6(4) . .
C1 Fe1 C3 C4 -81.39(15) . .
C8 Fe1 C3 C4 -180(9) . .
C2 C3 C4 C5 -0.2(3) . .
Fe1 C3 C4 C5 59.74(16) . .
C2 C3 C4 Fe1 -59.96(17) . .
C10 Fe1 C4 C3 -77.28(16) . .
C6 Fe1 C4 C3 -120.57(14) . .
C2 Fe1 C4 C3 37.55(14) . .
C9 Fe1 C4 C3 -45.2(2) . .
C5 Fe1 C4 C3 119.0(2) . .
C7 Fe1 C4 C3 -159.23(14) . .
C1 Fe1 C4 C3 81.62(15) . .
C8 Fe1 C4 C3 180(100) . .
C10 Fe1 C4 C5 163.74(13) . .
C3 Fe1 C4 C5 -119.0(2) . .
C6 Fe1 C4 C5 120.44(14) . .
C2 Fe1 C4 C5 -81.44(14) . .
C9 Fe1 C4 C5 -164.14(16) . .
C7 Fe1 C4 C5 81.79(16) . .
C1 Fe1 C4 C5 -37.37(13) . .
C8 Fe1 C4 C5 60.9(5) . .
C3 C4 C5 C1 0.1(3) . .
Fe1 C4 C5 C1 59.48(15) . .
C3 C4 C5 Fe1 -59.33(17) . .
C2 C1 C5 C4 0.0(2) . .
P1 C1 C5 C4 164.28(16) . .
Fe1 C1 C5 C4 -59.19(15) . .
C2 C1 C5 Fe1 59.17(15) . .
P1 C1 C5 Fe1 -136.53(16) . .
C10 Fe1 C5 C4 -33.3(3) . .
C3 Fe1 C5 C4 37.79(15) . .
C6 Fe1 C5 C4 -77.46(16) . .
C2 Fe1 C5 C4 81.43(15) . .
C9 Fe1 C5 C4 140.5(4) . .
C7 Fe1 C5 C4 -123.01(14) . .
C1 Fe1 C5 C4 119.66(19) . .
C8 Fe1 C5 C4 -166.37(14) . .
C10 Fe1 C5 C1 -152.93(18) . .
C3 Fe1 C5 C1 -81.87(13) . .
C6 Fe1 C5 C1 162.88(11) . .
C2 Fe1 C5 C1 -38.23(12) . .
C4 Fe1 C5 C1 -119.66(19) . .
C9 Fe1 C5 C1 20.9(5) . .
C7 Fe1 C5 C1 117.33(12) . .
C8 Fe1 C5 C1 73.97(15) . .
C11 P2 C6 C7 26.2(2) . .
C37 P2 C6 C7 -86.2(2) . .
S2 P2 C6 C7 151.32(17) . .
C11 P2 C6 C10 -163.01(19) . .
C37 P2 C6 C10 84.5(2) . .
S2 P2 C6 C10 -37.9(2) . .
C11 P2 C6 Fe1 -71.64(16) . .
C37 P2 C6 Fe1 175.90(13) . .
S2 P2 C6 Fe1 53.46(15) . .
C10 Fe1 C6 C7 118.43(18) . .
C3 Fe1 C6 C7 -173.57(13) . .
C2 Fe1 C6 C7 155.9(2) . .
C4 Fe1 C6 C7 -132.16(12) . .
C9 Fe1 C6 C7 80.62(13) . .
C5 Fe1 C6 C7 -90.87(13) . .
C1 Fe1 C6 C7 -59.6(3) . .
C8 Fe1 C6 C7 37.30(12) . .
C3 Fe1 C6 C10 68.00(16) . .
C2 Fe1 C6 C10 37.5(3) . .
C4 Fe1 C6 C10 109.40(14) . .
C9 Fe1 C6 C10 -37.81(14) . .
C5 Fe1 C6 C10 150.70(13) . .
C7 Fe1 C6 C10 -118.43(18) . .
C1 Fe1 C6 C10 -178.0(2) . .
C8 Fe1 C6 C10 -81.14(14) . .
C10 Fe1 C6 P2 -117.1(2) . .
C3 Fe1 C6 P2 -49.13(18) . .
C2 Fe1 C6 P2 -79.7(3) . .
C4 Fe1 C6 P2 -7.72(17) . .
C9 Fe1 C6 P2 -154.94(17) . .
C5 Fe1 C6 P2 33.57(18) . .
C7 Fe1 C6 P2 124.4(2) . .
C1 Fe1 C6 P2 64.9(3) . .
C8 Fe1 C6 P2 161.74(17) . .
C10 C6 C7 C8 -0.4(2) . .
P2 C6 C7 C8 171.58(16) . .
Fe1 C6 C7 C8 -59.81(14) . .
C10 C6 C7 Fe1 59.43(15) . .
P2 C6 C7 Fe1 -128.61(18) . .
C10 Fe1 C7 C8 80.79(13) . .
C3 Fe1 C7 C8 137.3(3) . .
C6 Fe1 C7 C8 119.28(17) . .
C2 Fe1 C7 C8 -38.0(3) . .
C4 Fe1 C7 C8 -173.74(13) . .
C9 Fe1 C7 C8 37.12(12) . .
C5 Fe1 C7 C8 -129.00(12) . .
C1 Fe1 C7 C8 -83.72(14) . .
C10 Fe1 C7 C6 -38.49(12) . .
C3 Fe1 C7 C6 18.1(4) . .
C2 Fe1 C7 C6 -157.2(2) . .
C4 Fe1 C7 C6 66.98(15) . .
C9 Fe1 C7 C6 -82.16(13) . .
C5 Fe1 C7 C6 111.72(12) . .
C1 Fe1 C7 C6 157.00(12) . .
C8 Fe1 C7 C6 -119.28(17) . .
C6 C7 C8 C9 0.3(2) . .
Fe1 C7 C8 C9 -58.66(15) . .
C6 C7 C8 Fe1 58.97(14) . .
C10 Fe1 C8 C9 37.48(13) . .
C3 Fe1 C8 C9 -35.0(2) . .
C6 Fe1 C8 C9 82.07(13) . .
C2 Fe1 C8 C9 -76.13(15) . .
C4 Fe1 C8 C9 145.2(4) . .
C5 Fe1 C8 C9 -163.88(13) . .
C7 Fe1 C8 C9 119.82(18) . .
C1 Fe1 C8 C9 -121.27(13) . .
C10 Fe1 C8 C7 -82.34(13) . .
C3 Fe1 C8 C7 -154.85(18) . .
C6 Fe1 C8 C7 -37.75(11) . .
C2 Fe1 C8 C7 164.06(12) . .
C4 Fe1 C8 C7 25.4(5) . .
C9 Fe1 C8 C7 -119.82(18) . .
C5 Fe1 C8 C7 76.30(15) . .
C1 Fe1 C8 C7 118.91(12) . .
C7 C8 C9 C10 -0.1(3) . .
Fe1 C8 C9 C10 -58.97(17) . .
C7 C8 C9 Fe1 58.84(15) . .
C3 Fe1 C9 C10 -78.32(16) . .
C6 Fe1 C9 C10 38.52(13) . .
C2 Fe1 C9 C10 -120.15(14) . .
C4 Fe1 C9 C10 -48.0(2) . .
C5 Fe1 C9 C10 -175.6(4) . .
C7 Fe1 C9 C10 82.42(14) . .
C1 Fe1 C9 C10 -158.69(13) . .
C8 Fe1 C9 C10 119.54(19) . .
C10 Fe1 C9 C8 -119.54(19) . .
C3 Fe1 C9 C8 162.13(13) . .
C6 Fe1 C9 C8 -81.02(13) . .
C2 Fe1 C9 C8 120.31(13) . .
C4 Fe1 C9 C8 -167.53(17) . .
C5 Fe1 C9 C8 64.9(4) . .
C7 Fe1 C9 C8 -37.12(12) . .
C1 Fe1 C9 C8 81.76(15) . .
C8 C9 C10 C6 -0.1(3) . .
Fe1 C9 C10 C6 -60.07(16) . .
C8 C9 C10 Fe1 59.96(16) . .
C7 C6 C10 C9 0.3(3) . .
P2 C6 C10 C9 -172.12(17) . .
Fe1 C6 C10 C9 60.55(16) . .
C7 C6 C10 Fe1 -60.26(14) . .
P2 C6 C10 Fe1 127.32(17) . .
C3 Fe1 C10 C9 114.55(15) . .
C6 Fe1 C10 C9 -118.45(19) . .
C2 Fe1 C10 C9 76.45(16) . .
C4 Fe1 C10 C9 154.74(14) . .
C5 Fe1 C10 C9 177.86(18) . .
C7 Fe1 C10 C9 -80.51(14) . .
C1 Fe1 C10 C9 59.3(3) . .
C8 Fe1 C10 C9 -37.19(14) . .
C3 Fe1 C10 C6 -127.00(14) . .
C2 Fe1 C10 C6 -165.10(12) . .
C4 Fe1 C10 C6 -86.80(15) . .
C9 Fe1 C10 C6 118.45(19) . .
C5 Fe1 C10 C6 -63.7(2) . .
C7 Fe1 C10 C6 37.95(12) . .
C1 Fe1 C10 C6 177.8(2) . .
C8 Fe1 C10 C6 81.26(13) . .
C6 P2 C11 C15 58.6(2) . .
C37 P2 C11 C15 171.00(17) . .
S2 P2 C11 C15 -66.65(18) . .
C6 P2 C11 C12 -143.22(18) . .
C37 P2 C11 C12 -30.8(2) . .
S2 P2 C11 C12 91.53(19) . .
C6 P2 C11 Fe2 -43.3(2) . .
C37 P2 C11 Fe2 69.1(2) . .
S2 P2 C11 Fe2 -168.56(16) . .
C20 Fe2 C11 C15 137.5(3) . .
C13 Fe2 C11 C15 81.31(15) . .
C16 Fe2 C11 C15 -43.9(3) . .
C14 Fe2 C11 C15 37.54(14) . .
C12 Fe2 C11 C15 118.85(18) . .
C19 Fe2 C11 C15 -176.03(13) . .
C17 Fe2 C11 C15 -87.95(14) . .
C18 Fe2 C11 C15 -132.39(13) . .
C20 Fe2 C11 C12 18.7(3) . .
C13 Fe2 C11 C12 -37.54(15) . .
C16 Fe2 C11 C12 -162.76(19) . .
C14 Fe2 C11 C12 -81.30(15) . .
C19 Fe2 C11 C12 65.12(17) . .
C17 Fe2 C11 C12 153.20(13) . .
C15 Fe2 C11 C12 -118.85(18) . .
C18 Fe2 C11 C12 108.76(14) . .
C20 Fe2 C11 P2 -101.0(3) . .
C13 Fe2 C11 P2 -157.2(2) . .
C16 Fe2 C11 P2 77.6(3) . .
C14 Fe2 C11 P2 159.0(2) . .
C12 Fe2 C11 P2 -119.7(3) . .
C19 Fe2 C11 P2 -54.6(2) . .
C17 Fe2 C11 P2 33.5(2) . .
C15 Fe2 C11 P2 121.5(2) . .
C18 Fe2 C11 P2 -10.9(2) . .
C15 C11 C12 C13 0.4(2) . .
P2 C11 C12 C13 -161.13(17) . .
Fe2 C11 C12 C13 59.39(16) . .
C15 C11 C12 Fe2 -59.02(14) . .
P2 C11 C12 Fe2 139.47(16) . .
C20 Fe2 C12 C13 67.43(19) . .
C16 Fe2 C12 C13 40.5(3) . .
C14 Fe2 C12 C13 -37.60(16) . .
C19 Fe2 C12 C13 107.83(17) . .
C17 Fe2 C12 C13 176.8(2) . .
C15 Fe2 C12 C13 -81.47(17) . .
C18 Fe2 C12 C13 148.50(16) . .
C11 Fe2 C12 C13 -119.2(2) . .
C20 Fe2 C12 C11 -173.38(12) . .
C13 Fe2 C12 C11 119.2(2) . .
C16 Fe2 C12 C11 159.7(2) . .
C14 Fe2 C12 C11 81.59(14) . .
C19 Fe2 C12 C11 -132.98(13) . .
C17 Fe2 C12 C11 -64.0(3) . .
C15 Fe2 C12 C11 37.73(13) . .
C18 Fe2 C12 C11 -92.31(15) . .
C11 C12 C13 C14 -0.3(3) . .
Fe2 C12 C13 C14 59.64(17) . .
C11 C12 C13 Fe2 -59.96(15) . .
C20 Fe2 C13 C12 -127.14(15) . .
C16 Fe2 C13 C12 -164.82(14) . .
C14 Fe2 C13 C12 119.4(2) . .
C19 Fe2 C13 C12 -86.52(16) . .
C17 Fe2 C13 C12 -175.3(3) . .
C15 Fe2 C13 C12 81.59(16) . .
C18 Fe2 C13 C12 -61.7(2) . .
C11 Fe2 C13 C12 37.89(14) . .
C20 Fe2 C13 C14 113.51(14) . .
C16 Fe2 C13 C14 75.82(16) . .
C12 Fe2 C13 C14 -119.4(2) . .
C19 Fe2 C13 C14 154.13(14) . .
C17 Fe2 C13 C14 65.3(4) . .
C15 Fe2 C13 C14 -37.77(14) . .
C18 Fe2 C13 C14 178.99(16) . .
C11 Fe2 C13 C14 -81.46(15) . .
C12 C13 C14 C15 0.1(3) . .
Fe2 C13 C14 C15 59.86(16) . .
C12 C13 C14 Fe2 -59.73(17) . .
C20 Fe2 C14 C13 -79.20(15) . .
C16 Fe2 C14 C13 -122.37(14) . .
C12 Fe2 C14 C13 37.53(14) . .
C19 Fe2 C14 C13 -46.9(2) . .
C17 Fe2 C14 C13 -160.39(13) . .
C15 Fe2 C14 C13 119.1(2) . .
C18 Fe2 C14 C13 -176.8(5) . .
C11 Fe2 C14 C13 81.66(15) . .
C20 Fe2 C14 C15 161.72(13) . .
C13 Fe2 C14 C15 -119.1(2) . .
C16 Fe2 C14 C15 118.55(13) . .
C12 Fe2 C14 C15 -81.56(14) . .
C19 Fe2 C14 C15 -165.95(15) . .
C17 Fe2 C14 C15 80.53(16) . .
C18 Fe2 C14 C15 64.1(6) . .
C11 Fe2 C14 C15 -37.42(13) . .
C13 C14 C15 C11 0.1(3) . .
Fe2 C14 C15 C11 59.56(15) . .
C13 C14 C15 Fe2 -59.45(17) . .
C12 C11 C15 C14 -0.3(2) . .
P2 C11 C15 C14 161.06(16) . .
Fe2 C11 C15 C14 -58.95(15) . .
C12 C11 C15 Fe2 58.66(14) . .
P2 C11 C15 Fe2 -139.99(16) . .
C20 Fe2 C15 C14 -35.7(2) . .
C13 Fe2 C15 C14 37.72(15) . .
C16 Fe2 C15 C14 -79.10(16) . .
C12 Fe2 C15 C14 81.43(15) . .
C19 Fe2 C15 C14 135.8(5) . .
C17 Fe2 C15 C14 -124.88(14) . .
C18 Fe2 C15 C14 -168.04(14) . .
C11 Fe2 C15 C14 119.52(19) . .
C20 Fe2 C15 C11 -155.25(17) . .
C13 Fe2 C15 C11 -81.80(14) . .
C16 Fe2 C15 C11 161.38(11) . .
C14 Fe2 C15 C11 -119.52(19) . .
C12 Fe2 C15 C11 -38.09(12) . .
C19 Fe2 C15 C11 16.3(5) . .
C17 Fe2 C15 C11 115.60(12) . .
C18 Fe2 C15 C11 72.44(16) . .
C21 P3 C16 C17 24.4(2) . .
C43 P3 C16 C17 -86.54(19) . .
S3 P3 C16 C17 149.42(16) . .
C21 P3 C16 C20 -165.22(18) . .
C43 P3 C16 C20 83.82(19) . .
S3 P3 C16 C20 -40.2(2) . .
C21 P3 C16 Fe2 -73.05(16) . .
C43 P3 C16 Fe2 175.99(13) . .
S3 P3 C16 Fe2 51.95(15) . .
C20 Fe2 C16 C17 118.36(17) . .
C13 Fe2 C16 C17 -175.53(14) . .
C14 Fe2 C16 C17 -134.43(13) . .
C12 Fe2 C16 C17 154.2(3) . .
C19 Fe2 C16 C17 80.58(13) . .
C15 Fe2 C16 C17 -92.63(13) . .
C18 Fe2 C16 C17 37.31(12) . .
C11 Fe2 C16 C17 -61.0(2) . .
C13 Fe2 C16 C20 66.11(17) . .
C14 Fe2 C16 C20 107.21(14) . .
C12 Fe2 C16 C20 35.8(3) . .
C19 Fe2 C16 C20 -37.78(14) . .
C17 Fe2 C16 C20 -118.36(17) . .
C15 Fe2 C16 C20 149.01(13) . .
C18 Fe2 C16 C20 -81.05(14) . .
C11 Fe2 C16 C20 -179.34(19) . .
C20 Fe2 C16 P3 -117.8(2) . .
C13 Fe2 C16 P3 -51.71(19) . .
C14 Fe2 C16 P3 -10.61(17) . .
C12 Fe2 C16 P3 -82.0(3) . .
C19 Fe2 C16 P3 -155.60(17) . .
C17 Fe2 C16 P3 123.8(2) . .
C15 Fe2 C16 P3 31.20(18) . .
C18 Fe2 C16 P3 161.13(17) . .
C11 Fe2 C16 P3 62.8(3) . .
C20 C16 C17 C18 -0.3(2) . .
P3 C16 C17 C18 171.35(15) . .
Fe2 C16 C17 C18 -59.74(14) . .
C20 C16 C17 Fe2 59.42(14) . .
P3 C16 C17 Fe2 -128.91(17) . .
C20 Fe2 C17 C18 80.94(13) . .
C13 Fe2 C17 C18 132.8(4) . .
C16 Fe2 C17 C18 119.33(17) . .
C14 Fe2 C17 C18 -175.88(13) . .
C12 Fe2 C17 C18 -39.8(3) . .
C19 Fe2 C17 C18 37.19(13) . .
C15 Fe2 C17 C18 -131.01(13) . .
C11 Fe2 C17 C18 -85.54(14) . .
C20 Fe2 C17 C16 -38.39(12) . .
C13 Fe2 C17 C16 13.5(4) . .
C14 Fe2 C17 C16 64.79(16) . .
C12 Fe2 C17 C16 -159.1(2) . .
C19 Fe2 C17 C16 -82.14(13) . .
C15 Fe2 C17 C16 109.67(12) . .
C18 Fe2 C17 C16 -119.33(17) . .
C11 Fe2 C17 C16 155.13(12) . .
C16 C17 C18 C19 0.3(2) . .
Fe2 C17 C18 C19 -58.73(15) . .
C16 C17 C18 Fe2 59.01(13) . .
C20 Fe2 C18 C19 37.44(13) . .
C13 Fe2 C18 C19 -37.0(2) . .
C16 Fe2 C18 C19 81.82(13) . .
C14 Fe2 C18 C19 139.0(5) . .
C12 Fe2 C18 C19 -77.99(15) . .
C17 Fe2 C18 C19 119.63(17) . .
C15 Fe2 C18 C19 -165.67(13) . .
C11 Fe2 C18 C19 -123.34(13) . .
C20 Fe2 C18 C17 -82.19(13) . .
C13 Fe2 C18 C17 -156.63(17) . .
C16 Fe2 C18 C17 -37.81(11) . .
C14 Fe2 C18 C17 19.4(6) . .
C12 Fe2 C18 C17 162.37(12) . .
C19 Fe2 C18 C17 -119.63(17) . .
C15 Fe2 C18 C17 74.70(16) . .
C11 Fe2 C18 C17 117.02(12) . .
C17 C18 C19 C20 -0.1(3) . .
Fe2 C18 C19 C20 -59.02(16) . .
C17 C18 C19 Fe2 58.89(14) . .
C20 Fe2 C19 C18 -119.70(19) . .
C13 Fe2 C19 C18 160.26(13) . .
C16 Fe2 C19 C18 -81.40(13) . .
C14 Fe2 C19 C18 -168.74(16) . .
C12 Fe2 C19 C18 118.14(13) . .
C17 Fe2 C19 C18 -37.31(12) . .
C15 Fe2 C19 C18 66.7(5) . .
C11 Fe2 C19 C18 80.23(15) . .
C13 Fe2 C19 C20 -80.04(15) . .
C16 Fe2 C19 C20 38.30(13) . .
C14 Fe2 C19 C20 -49.0(2) . .
C12 Fe2 C19 C20 -122.16(14) . .
C17 Fe2 C19 C20 82.39(14) . .
C15 Fe2 C19 C20 -173.6(4) . .
C18 Fe2 C19 C20 119.70(19) . .
C11 Fe2 C19 C20 -160.08(13) . .
C18 C19 C20 C16 -0.1(3) . .
Fe2 C19 C20 C16 -60.00(15) . .
C18 C19 C20 Fe2 59.93(16) . .
C17 C16 C20 C19 0.2(2) . .
P3 C16 C20 C19 -171.82(16) . .
Fe2 C16 C20 C19 60.30(16) . .
C17 C16 C20 Fe2 -60.06(14) . .
P3 C16 C20 Fe2 127.88(16) . .
C13 Fe2 C20 C19 112.42(15) . .
C16 Fe2 C20 C19 -118.66(19) . .
C14 Fe2 C20 C19 153.01(15) . .
C12 Fe2 C20 C19 74.79(17) . .
C17 Fe2 C20 C19 -80.52(14) . .
C15 Fe2 C20 C19 177.52(17) . .
C18 Fe2 C20 C19 -37.09(14) . .
C11 Fe2 C20 C19 60.5(3) . .
C13 Fe2 C20 C16 -128.92(14) . .
C14 Fe2 C20 C16 -88.33(15) . .
C12 Fe2 C20 C16 -166.55(12) . .
C19 Fe2 C20 C16 118.66(19) . .
C17 Fe2 C20 C16 38.14(12) . .
C15 Fe2 C20 C16 -63.8(2) . .
C18 Fe2 C20 C16 81.57(13) . .
C11 Fe2 C20 C16 179(17) . .
C16 P3 C21 C25 56.5(2) . .
C43 P3 C21 C25 168.15(17) . .
S3 P3 C21 C25 -69.61(18) . .
C16 P3 C21 C22 -143.82(18) . .
C43 P3 C21 C22 -32.2(2) . .
S3 P3 C21 C22 90.07(19) . .
C16 P3 C21 Fe3 -44.5(2) . .
C43 P3 C21 Fe3 67.16(19) . .
S3 P3 C21 Fe3 -170.59(14) . .
C23 Fe3 C21 C25 81.13(14) . .
C30 Fe3 C21 C25 140.8(2) . .
C26 Fe3 C21 C25 -40.8(3) . .
C22 Fe3 C21 C25 118.88(18) . .
C24 Fe3 C21 C25 37.14(13) . .
C27 Fe3 C21 C25 -85.70(14) . .
C29 Fe3 C21 C25 -173.94(13) . .
C28 Fe3 C21 C25 -129.92(12) . .
C23 Fe3 C21 C22 -37.74(14) . .
C30 Fe3 C21 C22 22.0(3) . .
C26 Fe3 C21 C22 -159.7(2) . .
C24 Fe3 C21 C22 -81.74(15) . .
C27 Fe3 C21 C22 155.43(13) . .
C29 Fe3 C21 C22 67.18(16) . .
C25 Fe3 C21 C22 -118.88(18) . .
C28 Fe3 C21 C22 111.21(14) . .
C23 Fe3 C21 P3 -157.8(2) . .
C30 Fe3 C21 P3 -98.1(3) . .
C26 Fe3 C21 P3 80.2(3) . .
C22 Fe3 C21 P3 -120.1(2) . .
C24 Fe3 C21 P3 158.2(2) . .
C27 Fe3 C21 P3 35.4(2) . .
C29 Fe3 C21 P3 -52.9(2) . .
C25 Fe3 C21 P3 121.1(2) . .
C28 Fe3 C21 P3 -8.9(2) . .
C25 C21 C22 C23 -0.3(2) . .
P3 C21 C22 C23 -162.91(16) . .
Fe3 C21 C22 C23 59.26(16) . .
C25 C21 C22 Fe3 -59.52(14) . .
P3 C21 C22 Fe3 137.83(16) . .
C30 Fe3 C22 C23 69.43(17) . .
C26 Fe3 C22 C23 40.8(3) . .
C24 Fe3 C22 C23 -37.87(15) . .
C27 Fe3 C22 C23 179(9) . .
C29 Fe3 C22 C23 110.17(16) . .
C21 Fe3 C22 C23 -119.0(2) . .
C25 Fe3 C22 C23 -81.35(16) . .
C28 Fe3 C22 C23 150.68(15) . .
C23 Fe3 C22 C21 119.0(2) . .
C30 Fe3 C22 C21 -171.59(12) . .
C26 Fe3 C22 C21 159.8(2) . .
C24 Fe3 C22 C21 81.10(14) . .
C27 Fe3 C22 C21 -62.4(3) . .
C29 Fe3 C22 C21 -130.86(13) . .
C25 Fe3 C22 C21 37.62(12) . .
C28 Fe3 C22 C21 -90.35(14) . .
C21 C22 C23 C24 0.2(3) . .
Fe3 C22 C23 C24 60.19(16) . .
C21 C22 C23 Fe3 -59.95(15) . .
C30 Fe3 C23 C22 -124.84(14) . .
C26 Fe3 C23 C22 -163.57(13) . .
C24 Fe3 C23 C22 119.0(2) . .
C27 Fe3 C23 C22 -178(9) . .
C29 Fe3 C23 C22 -84.80(16) . .
C21 Fe3 C23 C22 37.94(13) . .
C25 Fe3 C23 C22 81.49(15) . .
C28 Fe3 C23 C22 -61.0(2) . .
C30 Fe3 C23 C24 116.15(14) . .
C26 Fe3 C23 C24 77.42(16) . .
C22 Fe3 C23 C24 -119.0(2) . .
C27 Fe3 C23 C24 62.7(3) . .
C29 Fe3 C23 C24 156.19(13) . .
C21 Fe3 C23 C24 -81.07(14) . .
C25 Fe3 C23 C24 -37.52(13) . .
C28 Fe3 C23 C24 180(9) . .
C22 C23 C24 C25 -0.1(3) . .
Fe3 C23 C24 C25 60.03(15) . .
C22 C23 C24 Fe3 -60.15(16) . .
C23 Fe3 C24 C25 -119.01(19) . .
C30 Fe3 C24 C25 164.01(12) . .
C26 Fe3 C24 C25 120.82(13) . .
C22 Fe3 C24 C25 -81.28(14) . .
C27 Fe3 C24 C25 81.84(15) . .
C29 Fe3 C24 C25 -164.57(16) . .
C21 Fe3 C24 C25 -37.19(12) . .
C28 Fe3 C24 C25 61.0(5) . .
C30 Fe3 C24 C23 -76.98(15) . .
C26 Fe3 C24 C23 -120.17(14) . .
C22 Fe3 C24 C23 37.74(14) . .
C27 Fe3 C24 C23 -159.15(13) . .
C29 Fe3 C24 C23 -45.6(2) . .
C21 Fe3 C24 C23 81.82(14) . .
C25 Fe3 C24 C23 119.01(19) . .
C28 Fe3 C24 C23 180(100) . .
C23 C24 C25 C21 0.0(2) . .
Fe3 C24 C25 C21 59.06(14) . .
C23 C24 C25 Fe3 -59.10(16) . .
C22 C21 C25 C24 0.2(2) . .
P3 C21 C25 C24 162.86(15) . .
Fe3 C21 C25 C24 -58.72(15) . .
C22 C21 C25 Fe3 58.90(14) . .
P3 C21 C25 Fe3 -138.43(16) . .
C23 Fe3 C25 C24 37.95(14) . .
C30 Fe3 C25 C24 -32.7(2) . .
C26 Fe3 C25 C24 -76.58(15) . .
C22 Fe3 C25 C24 81.83(15) . .
C27 Fe3 C25 C24 -122.39(14) . .
C29 Fe3 C25 C24 142.0(4) . .
C21 Fe3 C25 C24 119.89(18) . .
C28 Fe3 C25 C24 -165.60(13) . .
C23 Fe3 C25 C21 -81.94(13) . .
C30 Fe3 C25 C21 -152.57(17) . .
C26 Fe3 C25 C21 163.53(11) . .
C22 Fe3 C25 C21 -38.06(12) . .
C24 Fe3 C25 C21 -119.89(18) . .
C27 Fe3 C25 C21 117.72(12) . .
C29 Fe3 C25 C21 22.1(5) . .
C28 Fe3 C25 C21 74.51(15) . .
C1 P1 C26 C27 24.8(2) . .
C31 P1 C26 C27 -86.89(19) . .
S1 P1 C26 C27 151.69(16) . .
C1 P1 C26 C30 -159.51(17) . .
C31 P1 C26 C30 88.77(18) . .
S1 P1 C26 C30 -32.64(19) . .
C1 P1 C26 Fe3 -70.40(15) . .
C31 P1 C26 Fe3 177.89(12) . .
S1 P1 C26 Fe3 56.47(14) . .
C23 Fe3 C26 C27 -173.02(13) . .
C30 Fe3 C26 C27 118.31(16) . .
C22 Fe3 C26 C27 157.0(2) . .
C24 Fe3 C26 C27 -131.55(12) . .
C29 Fe3 C26 C27 80.70(12) . .
C21 Fe3 C26 C27 -60.8(2) . .
C25 Fe3 C26 C27 -90.73(13) . .
C28 Fe3 C26 C27 37.28(11) . .
C23 Fe3 C26 C30 68.67(15) . .
C22 Fe3 C26 C30 38.7(3) . .
C24 Fe3 C26 C30 110.14(13) . .
C27 Fe3 C26 C30 -118.31(16) . .
C29 Fe3 C26 C30 -37.61(13) . .
C21 Fe3 C26 C30 -179.1(2) . .
C25 Fe3 C26 C30 150.96(12) . .
C28 Fe3 C26 C30 -81.03(13) . .
C23 Fe3 C26 P1 -48.14(17) . .
C30 Fe3 C26 P1 -116.81(18) . .
C22 Fe3 C26 P1 -78.1(3) . .
C24 Fe3 C26 P1 -6.67(15) . .
C27 Fe3 C26 P1 124.88(18) . .
C29 Fe3 C26 P1 -154.42(16) . .
C21 Fe3 C26 P1 64.0(3) . .
C25 Fe3 C26 P1 34.15(17) . .
C28 Fe3 C26 P1 162.16(15) . .
C30 C26 C27 C28 -0.4(2) . .
P1 C26 C27 C28 175.83(15) . .
Fe3 C26 C27 C28 -60.02(14) . .
C30 C26 C27 Fe3 59.65(14) . .
P1 C26 C27 Fe3 -124.15(17) . .
C23 Fe3 C27 C28 138.6(3) . .
C30 Fe3 C27 C28 80.71(13) . .
C26 Fe3 C27 C28 119.25(16) . .
C22 Fe3 C27 C28 -38.6(3) . .
C24 Fe3 C27 C28 -173.40(13) . .
C29 Fe3 C27 C28 37.20(12) . .
C21 Fe3 C27 C28 -84.09(14) . .
C25 Fe3 C27 C28 -128.99(12) . .
C23 Fe3 C27 C26 19.3(3) . .
C30 Fe3 C27 C26 -38.54(11) . .
C22 Fe3 C27 C26 -157.8(2) . .
C24 Fe3 C27 C26 67.35(15) . .
C29 Fe3 C27 C26 -82.05(12) . .
C21 Fe3 C27 C26 156.66(11) . .
C25 Fe3 C27 C26 111.76(12) . .
C28 Fe3 C27 C26 -119.25(16) . .
C26 C27 C28 C29 0.4(2) . .
Fe3 C27 C28 C29 -58.55(15) . .
C26 C27 C28 Fe3 58.91(13) . .
C23 Fe3 C28 C27 -154.51(17) . .
C30 Fe3 C28 C27 -82.61(12) . .
C26 Fe3 C28 C27 -37.99(11) . .
C22 Fe3 C28 C27 163.93(12) . .
C24 Fe3 C28 C27 25.5(5) . .
C29 Fe3 C28 C27 -119.83(17) . .
C21 Fe3 C28 C27 118.67(12) . .
C25 Fe3 C28 C27 76.00(15) . .
C23 Fe3 C28 C29 -34.7(2) . .
C30 Fe3 C28 C29 37.21(12) . .
C26 Fe3 C28 C29 81.84(13) . .
C22 Fe3 C28 C29 -76.24(15) . .
C24 Fe3 C28 C29 145.3(4) . .
C27 Fe3 C28 C29 119.83(17) . .
C21 Fe3 C28 C29 -121.50(13) . .
C25 Fe3 C28 C29 -164.17(13) . .
C27 C28 C29 C30 -0.2(2) . .
Fe3 C28 C29 C30 -58.73(16) . .
C27 C28 C29 Fe3 58.52(14) . .
C23 Fe3 C29 C30 -77.60(15) . .
C26 Fe3 C29 C30 38.48(12) . .
C22 Fe3 C29 C30 -119.73(13) . .
C24 Fe3 C29 C30 -46.8(2) . .
C27 Fe3 C29 C30 82.74(13) . .
C21 Fe3 C29 C30 -158.31(12) . .
C25 Fe3 C29 C30 -176.2(4) . .
C28 Fe3 C29 C30 119.87(18) . .
C23 Fe3 C29 C28 162.53(13) . .
C30 Fe3 C29 C28 -119.87(18) . .
C26 Fe3 C29 C28 -81.39(13) . .
C22 Fe3 C29 C28 120.40(13) . .
C24 Fe3 C29 C28 -166.69(16) . .
C27 Fe3 C29 C28 -37.13(12) . .
C21 Fe3 C29 C28 81.82(14) . .
C25 Fe3 C29 C28 63.9(4) . .
C28 C29 C30 C26 0.0(2) . .
Fe3 C29 C30 C26 -59.67(14) . .
C28 C29 C30 Fe3 59.64(15) . .
C27 C26 C30 C29 0.2(2) . .
P1 C26 C30 C29 -176.24(15) . .
Fe3 C26 C30 C29 60.44(15) . .
C27 C26 C30 Fe3 -60.20(13) . .
P1 C26 C30 Fe3 123.32(15) . .
C23 Fe3 C30 C29 115.18(14) . .
C26 Fe3 C30 C29 -118.68(18) . .
C22 Fe3 C30 C29 76.87(16) . .
C24 Fe3 C30 C29 155.50(14) . .
C27 Fe3 C30 C29 -80.45(13) . .
C21 Fe3 C30 C29 60.4(3) . .
C25 Fe3 C30 C29 178.17(17) . .
C28 Fe3 C30 C29 -37.13(13) . .
C23 Fe3 C30 C26 -126.14(13) . .
C22 Fe3 C30 C26 -164.45(12) . .
C24 Fe3 C30 C26 -85.82(14) . .
C27 Fe3 C30 C26 38.24(11) . .
C29 Fe3 C30 C26 118.68(18) . .
C21 Fe3 C30 C26 179(9) . .
C25 Fe3 C30 C26 -63.1(2) . .
C28 Fe3 C30 C26 81.55(12) . .
C26 P1 C31 C36 33.9(2) . .
C1 P1 C31 C36 -81.8(2) . .
S1 P1 C31 C36 155.19(17) . .
C26 P1 C31 C32 -143.39(18) . .
C1 P1 C31 C32 100.94(19) . .
S1 P1 C31 C32 -22.1(2) . .
C36 C31 C32 C33 -1.3(4) . .
P1 C31 C32 C33 176.01(19) . .
C31 C32 C33 C34 1.3(4) . .
C32 C33 C34 C35 -0.1(4) . .
C33 C34 C35 C36 -1.1(5) . .
C34 C35 C36 C31 1.1(4) . .
C32 C31 C36 C35 0.1(4) . .
P1 C31 C36 C35 -177.2(2) . .
C6 P2 C37 C42 43.4(2) . .
C11 P2 C37 C42 -72.2(2) . .
S2 P2 C37 C42 165.72(18) . .
C6 P2 C37 C38 -136.09(18) . .
C11 P2 C37 C38 108.25(19) . .
S2 P2 C37 C38 -13.8(2) . .
C42 C37 C38 C39 0.6(4) . .
P2 C37 C38 C39 -179.88(19) . .
C37 C38 C39 C40 -0.7(4) . .
C38 C39 C40 C41 0.6(4) . .
C39 C40 C41 C42 -0.4(5) . .
C40 C41 C42 C37 0.3(4) . .
C38 C37 C42 C41 -0.4(4) . .
P2 C37 C42 C41 -179.9(2) . .
C21 P3 C43 C44 -82.24(19) . .
C16 P3 C43 C44 32.9(2) . .
S3 P3 C43 C44 156.87(16) . .
C21 P3 C43 C48 95.19(19) . .
C16 P3 C43 C48 -149.68(19) . .
S3 P3 C43 C48 -25.7(2) . .
C48 C43 C44 C45 0.0(3) . .
P3 C43 C44 C45 177.36(17) . .
C43 C44 C45 C46 -0.1(3) . .
C44 C45 C46 C47 0.1(4) . .
C45 C46 C47 C48 0.1(4) . .
C46 C47 C48 C43 -0.3(4) . .
C44 C43 C48 C47 0.2(4) . .
P3 C43 C48 C47 -177.2(2) . .
C74 P4 C49 C53 51.0(2) . .
C79 P4 C49 C53 162.89(19) . .
S4 P4 C49 C53 -74.56(19) . .
C74 P4 C49 C50 -147.39(18) . .
C79 P4 C49 C50 -35.6(2) . .
S4 P4 C49 C50 87.00(19) . .
C74 P4 C49 Fe4 -50.0(2) . .
C79 P4 C49 Fe4 61.9(2) . .
S4 P4 C49 Fe4 -175.60(14) . .
C58 Fe4 C49 C53 145.0(3) . .
C51 Fe4 C49 C53 81.27(14) . .
C54 Fe4 C49 C53 -44.7(3) . .
C50 Fe4 C49 C53 118.57(19) . .
C52 Fe4 C49 C53 37.23(13) . .
C55 Fe4 C49 C53 -86.10(14) . .
C57 Fe4 C49 C53 -173.27(13) . .
C56 Fe4 C49 C53 -129.88(13) . .
C58 Fe4 C49 C50 26.4(3) . .
C51 Fe4 C49 C50 -37.30(15) . .
C54 Fe4 C49 C50 -163.3(2) . .
C52 Fe4 C49 C50 -81.34(15) . .
C55 Fe4 C49 C50 155.33(14) . .
C57 Fe4 C49 C50 68.16(17) . .
C53 Fe4 C49 C50 -118.57(19) . .
C56 Fe4 C49 C50 111.55(15) . .
C58 Fe4 C49 P4 -92.3(3) . .
C51 Fe4 C49 P4 -156.1(2) . .
C54 Fe4 C49 P4 78.0(3) . .
C50 Fe4 C49 P4 -118.8(2) . .
C52 Fe4 C49 P4 159.9(2) . .
C55 Fe4 C49 P4 36.5(2) . .
C57 Fe4 C49 P4 -50.6(2) . .
C53 Fe4 C49 P4 122.6(2) . .
C56 Fe4 C49 P4 -7.2(2) . .
C53 C49 C50 C51 -0.1(3) . .
P4 C49 C50 C51 -164.64(17) . .
Fe4 C49 C50 C51 59.45(17) . .
C53 C49 C50 Fe4 -59.54(15) . .
P4 C49 C50 Fe4 135.91(17) . .
C58 Fe4 C50 C51 70.59(17) . .
C54 Fe4 C50 C51 42.8(3) . .
C52 Fe4 C50 C51 -37.79(15) . .
C55 Fe4 C50 C51 -180(10) . .
C57 Fe4 C50 C51 111.07(16) . .
C53 Fe4 C50 C51 -81.43(16) . .
C49 Fe4 C50 C51 -119.4(2) . .
C56 Fe4 C50 C51 151.90(15) . .
C58 Fe4 C50 C49 -170.06(13) . .
C51 Fe4 C50 C49 119.4(2) . .
C54 Fe4 C50 C49 162.2(2) . .
C52 Fe4 C50 C49 81.56(15) . .
C55 Fe4 C50 C49 -60.3(3) . .
C57 Fe4 C50 C49 -129.58(14) . .
C53 Fe4 C50 C49 37.92(13) . .
C56 Fe4 C50 C49 -88.75(15) . .
C49 C50 C51 C52 -0.1(3) . .
Fe4 C50 C51 C52 59.59(17) . .
C49 C50 C51 Fe4 -59.65(16) . .
C58 Fe4 C51 C50 -124.47(15) . .
C54 Fe4 C51 C50 -163.39(13) . .
C52 Fe4 C51 C50 119.4(2) . .
C55 Fe4 C51 C50 180(10) . .
C57 Fe4 C51 C50 -83.69(16) . .
C53 Fe4 C51 C50 81.62(15) . .
C49 Fe4 C51 C50 37.83(14) . .
C56 Fe4 C51 C50 -57.5(3) . .
C58 Fe4 C51 C52 116.17(15) . .
C54 Fe4 C51 C52 77.24(17) . .
C50 Fe4 C51 C52 -119.4(2) . .
C55 Fe4 C51 C52 60.2(4) . .
C57 Fe4 C51 C52 156.95(14) . .
C53 Fe4 C51 C52 -37.74(14) . .
C49 Fe4 C51 C52 -81.53(15) . .
C56 Fe4 C51 C52 -176.87(18) . .
C50 C51 C52 C53 0.2(3) . .
Fe4 C51 C52 C53 59.88(16) . .
C50 C51 C52 Fe4 -59.70(17) . .
C58 Fe4 C52 C53 163.24(13) . .
C51 Fe4 C52 C53 -118.8(2) . .
C54 Fe4 C52 C53 119.85(14) . .
C50 Fe4 C52 C53 -81.45(15) . .
C55 Fe4 C52 C53 80.21(17) . .
C57 Fe4 C52 C53 -163.51(17) . .
C49 Fe4 C52 C53 -37.35(13) . .
C56 Fe4 C52 C53 53.9(5) . .
C58 Fe4 C52 C51 -78.00(17) . .
C54 Fe4 C52 C51 -121.40(15) . .
C50 Fe4 C52 C51 37.31(15) . .
C55 Fe4 C52 C51 -161.03(14) . .
C57 Fe4 C52 C51 -44.8(3) . .
C53 Fe4 C52 C51 118.8(2) . .
C49 Fe4 C52 C51 81.41(16) . .
C56 Fe4 C52 C51 172.7(4) . .
C51 C52 C53 C49 -0.2(3) . .
Fe4 C52 C53 C49 59.20(15) . .
C51 C52 C53 Fe4 -59.44(16) . .
C50 C49 C53 C52 0.2(2) . .
P4 C49 C53 C52 164.33(16) . .
Fe4 C49 C53 C52 -59.02(15) . .
C50 C49 C53 Fe4 59.22(15) . .
P4 C49 C53 Fe4 -136.65(17) . .
C58 Fe4 C53 C52 -35.2(3) . .
C51 Fe4 C53 C52 38.09(15) . .
C54 Fe4 C53 C52 -78.32(16) . .
C50 Fe4 C53 C52 81.59(16) . .
C55 Fe4 C53 C52 -123.64(15) . .
C57 Fe4 C53 C52 143.0(4) . .
C49 Fe4 C53 C52 119.79(19) . .
C56 Fe4 C53 C52 -166.99(14) . .
C58 Fe4 C53 C49 -154.97(18) . .
C51 Fe4 C53 C49 -81.70(14) . .
C54 Fe4 C53 C49 161.89(12) . .
C50 Fe4 C53 C49 -38.20(13) . .
C52 Fe4 C53 C49 -119.79(19) . .
C55 Fe4 C53 C49 116.58(13) . .
C57 Fe4 C53 C49 23.3(4) . .
C56 Fe4 C53 C49 73.22(16) . .
C59 P5 C54 C55 26.1(2) . .
C85 P5 C54 C55 -86.0(2) . .
S5 P5 C54 C55 152.22(17) . .
C59 P5 C54 C58 -161.21(17) . .
C85 P5 C54 C58 86.70(19) . .
S5 P5 C54 C58 -35.1(2) . .
C59 P5 C54 Fe4 -70.70(16) . .
C85 P5 C54 Fe4 177.21(13) . .
S5 P5 C54 Fe4 55.43(15) . .
C58 Fe4 C54 C55 118.64(17) . .
C51 Fe4 C54 C55 -172.50(13) . .
C50 Fe4 C54 C55 155.9(2) . .
C52 Fe4 C54 C55 -130.72(13) . .
C57 Fe4 C54 C55 81.11(13) . .
C53 Fe4 C54 C55 -89.15(14) . .
C49 Fe4 C54 C55 -56.5(3) . .
C56 Fe4 C54 C55 37.51(12) . .
C51 Fe4 C54 C58 68.87(16) . .
C50 Fe4 C54 C58 37.2(3) . .
C52 Fe4 C54 C58 110.64(14) . .
C55 Fe4 C54 C58 -118.64(17) . .
C57 Fe4 C54 C58 -37.52(13) . .
C53 Fe4 C54 C58 152.22(13) . .
C49 Fe4 C54 C58 -175.1(2) . .
C56 Fe4 C54 C58 -81.13(14) . .
C58 Fe4 C54 P5 -116.6(2) . .
C51 Fe4 C54 P5 -47.74(18) . .
C50 Fe4 C54 P5 -79.4(3) . .
C52 Fe4 C54 P5 -5.96(17) . .
C55 Fe4 C54 P5 124.8(2) . .
C57 Fe4 C54 P5 -154.13(17) . .
C53 Fe4 C54 P5 35.61(18) . .
C49 Fe4 C54 P5 68.3(3) . .
C56 Fe4 C54 P5 162.27(17) . .
C58 C54 C55 C56 -0.2(2) . .
P5 C54 C55 C56 173.41(16) . .
Fe4 C54 C55 C56 -59.59(14) . .
C58 C54 C55 Fe4 59.40(15) . .
P5 C54 C55 Fe4 -127.00(18) . .
C58 Fe4 C55 C56 80.92(14) . .
C51 Fe4 C55 C56 141.3(3) . .
C54 Fe4 C55 C56 119.24(17) . .
C50 Fe4 C55 C56 -39.4(3) . .
C52 Fe4 C55 C56 -171.86(13) . .
C57 Fe4 C55 C56 37.30(13) . .
C53 Fe4 C55 C56 -127.86(13) . .
C49 Fe4 C55 C56 -83.02(15) . .
C58 Fe4 C55 C54 -38.32(12) . .
C51 Fe4 C55 C54 22.1(4) . .
C50 Fe4 C55 C54 -158.7(2) . .
C52 Fe4 C55 C54 68.91(15) . .
C57 Fe4 C55 C54 -81.93(13) . .
C53 Fe4 C55 C54 112.90(13) . .
C49 Fe4 C55 C54 157.74(12) . .
C56 Fe4 C55 C54 -119.24(17) . .
C54 C55 C56 C57 0.2(2) . .
Fe4 C55 C56 C57 -58.93(15) . .
C54 C55 C56 Fe4 59.08(14) . .
C58 Fe4 C56 C57 37.45(13) . .
C51 Fe4 C56 C57 -38.1(3) . .
C54 Fe4 C56 C57 81.92(14) . .
C50 Fe4 C56 C57 -77.13(16) . .
C52 Fe4 C56 C57 151.7(4) . .
C55 Fe4 C56 C57 119.76(19) . .
C53 Fe4 C56 C57 -163.66(14) . .
C49 Fe4 C56 C57 -121.73(14) . .
C58 Fe4 C56 C55 -82.30(13) . .
C51 Fe4 C56 C55 -157.89(19) . .
C54 Fe4 C56 C55 -37.84(12) . .
C50 Fe4 C56 C55 163.12(12) . .
C52 Fe4 C56 C55 32.0(5) . .
C57 Fe4 C56 C55 -119.76(19) . .
C53 Fe4 C56 C55 76.58(16) . .
C49 Fe4 C56 C55 118.51(13) . .
C55 C56 C57 C58 -0.1(3) . .
Fe4 C56 C57 C58 -58.97(16) . .
C55 C56 C57 Fe4 58.91(15) . .
C51 Fe4 C57 C58 -79.69(16) . .
C54 Fe4 C57 C58 38.17(13) . .
C50 Fe4 C57 C58 -121.28(14) . .
C52 Fe4 C57 C58 -49.3(2) . .
C55 Fe4 C57 C58 82.20(14) . .
C53 Fe4 C57 C58 -179(10) . .
C49 Fe4 C57 C58 -160.14(13) . .
C56 Fe4 C57 C58 119.51(19) . .
C58 Fe4 C57 C56 -119.51(19) . .
C51 Fe4 C57 C56 160.80(14) . .
C54 Fe4 C57 C56 -81.34(14) . .
C50 Fe4 C57 C56 119.21(14) . .
C52 Fe4 C57 C56 -168.77(18) . .
C55 Fe4 C57 C56 -37.31(13) . .
C53 Fe4 C57 C56 61.7(4) . .
C49 Fe4 C57 C56 80.35(16) . .
C56 C57 C58 C54 -0.1(3) . .
Fe4 C57 C58 C54 -59.50(15) . .
C56 C57 C58 Fe4 59.44(15) . .
C55 C54 C58 C57 0.2(2) . .
P5 C54 C58 C57 -173.90(16) . .
Fe4 C54 C58 C57 59.97(15) . .
C55 C54 C58 Fe4 -59.81(14) . .
P5 C54 C58 Fe4 126.14(16) . .
C51 Fe4 C58 C57 113.93(15) . .
C54 Fe4 C58 C57 -119.07(19) . .
C50 Fe4 C58 C57 75.37(16) . .
C52 Fe4 C58 C57 154.75(14) . .
C55 Fe4 C58 C57 -81.07(14) . .
C53 Fe4 C58 C57 179(10) . .
C49 Fe4 C58 C57 55.4(3) . .
C56 Fe4 C58 C57 -37.44(13) . .
C51 Fe4 C58 C54 -127.00(14) . .
C50 Fe4 C58 C54 -165.57(13) . .
C52 Fe4 C58 C54 -86.19(15) . .
C55 Fe4 C58 C54 38.00(12) . .
C57 Fe4 C58 C54 119.07(19) . .
C53 Fe4 C58 C54 -61.6(2) . .
C49 Fe4 C58 C54 174.5(2) . .
C56 Fe4 C58 C54 81.63(13) . .
C54 P5 C59 C63 57.1(2) . .
C85 P5 C59 C63 169.63(19) . .
S5 P5 C59 C63 -69.23(19) . .
C54 P5 C59 C60 -142.67(18) . .
C85 P5 C59 C60 -30.1(2) . .
S5 P5 C59 C60 91.01(19) . .
C54 P5 C59 Fe5 -45.2(2) . .
C85 P5 C59 Fe5 67.4(2) . .
S5 P5 C59 Fe5 -171.50(15) . .
C64 Fe5 C59 C63 -45.7(3) . .
C61 Fe5 C59 C63 81.03(15) . .
C60 Fe5 C59 C63 118.92(18) . .
C68 Fe5 C59 C63 142.0(3) . .
C65 Fe5 C59 C63 -87.77(14) . .
C62 Fe5 C59 C63 37.45(14) . .
C66 Fe5 C59 C63 -131.75(13) . .
C67 Fe5 C59 C63 -174.75(13) . .
C64 Fe5 C59 C60 -164.6(2) . .
C61 Fe5 C59 C60 -37.89(15) . .
C68 Fe5 C59 C60 23.1(3) . .
C65 Fe5 C59 C60 153.31(13) . .
C62 Fe5 C59 C60 -81.47(15) . .
C66 Fe5 C59 C60 109.33(14) . .
C63 Fe5 C59 C60 -118.92(18) . .
C67 Fe5 C59 C60 66.33(17) . .
C64 Fe5 C59 P5 77.3(3) . .
C61 Fe5 C59 P5 -155.9(2) . .
C60 Fe5 C59 P5 -118.0(2) . .
C68 Fe5 C59 P5 -94.9(3) . .
C65 Fe5 C59 P5 35.3(2) . .
C62 Fe5 C59 P5 160.5(2) . .
C66 Fe5 C59 P5 -8.7(2) . .
C63 Fe5 C59 P5 123.1(2) . .
C67 Fe5 C59 P5 -51.7(2) . .
C63 C59 C60 C61 0.2(3) . .
P5 C59 C60 C61 -163.22(17) . .
Fe5 C59 C60 C61 59.61(16) . .
C63 C59 C60 Fe5 -59.39(15) . .
P5 C59 C60 Fe5 137.18(16) . .
C64 Fe5 C60 C61 42.3(4) . .
C68 Fe5 C60 C61 69.34(19) . .
C65 Fe5 C60 C61 179(10) . .
C62 Fe5 C60 C61 -37.30(16) . .
C66 Fe5 C60 C61 150.52(16) . .
C63 Fe5 C60 C61 -81.02(17) . .
C59 Fe5 C60 C61 -118.8(2) . .
C67 Fe5 C60 C61 109.46(17) . .
C64 Fe5 C60 C59 161.1(3) . .
C61 Fe5 C60 C59 118.8(2) . .
C68 Fe5 C60 C59 -171.86(13) . .
C65 Fe5 C60 C59 -61.8(3) . .
C62 Fe5 C60 C59 81.50(15) . .
C66 Fe5 C60 C59 -90.68(15) . .
C63 Fe5 C60 C59 37.78(13) . .
C67 Fe5 C60 C59 -131.74(13) . .
C59 C60 C61 C62 -0.3(3) . .
Fe5 C60 C61 C62 59.66(17) . .
C59 C60 C61 Fe5 -59.99(16) . .
C64 Fe5 C61 C62 75.74(17) . .
C60 Fe5 C61 C62 -119.6(2) . .
C68 Fe5 C61 C62 114.19(15) . .
C65 Fe5 C61 C62 61.3(4) . .
C66 Fe5 C61 C62 -178.07(17) . .
C63 Fe5 C61 C62 -37.73(14) . .
C59 Fe5 C61 C62 -81.59(15) . .
C67 Fe5 C61 C62 155.01(14) . .
C64 Fe5 C61 C60 -164.66(14) . .
C68 Fe5 C61 C60 -126.21(16) . .
C65 Fe5 C61 C60 -179(72) . .
C62 Fe5 C61 C60 119.6(2) . .
C66 Fe5 C61 C60 -58.5(3) . .
C63 Fe5 C61 C60 81.86(16) . .
C59 Fe5 C61 C60 38.01(15) . .
C67 Fe5 C61 C60 -85.39(17) . .
C60 C61 C62 C63 0.3(3) . .
Fe5 C61 C62 C63 59.77(16) . .
C60 C61 C62 Fe5 -59.45(17) . .
C64 Fe5 C62 C61 -122.88(14) . .
C60 Fe5 C62 C61 37.55(14) . .
C68 Fe5 C62 C61 -79.50(16) . .
C65 Fe5 C62 C61 -161.97(14) . .
C66 Fe5 C62 C61 174.4(5) . .
C63 Fe5 C62 C61 119.1(2) . .
C59 Fe5 C62 C61 81.56(15) . .
C67 Fe5 C62 C61 -46.5(2) . .
C64 Fe5 C62 C63 118.04(14) . .
C61 Fe5 C62 C63 -119.1(2) . .
C60 Fe5 C62 C63 -81.54(15) . .
C68 Fe5 C62 C63 161.41(13) . .
C65 Fe5 C62 C63 78.95(16) . .
C66 Fe5 C62 C63 55.3(6) . .
C59 Fe5 C62 C63 -37.52(13) . .
C67 Fe5 C62 C63 -165.55(17) . .
C61 C62 C63 C59 -0.2(3) . .
Fe5 C62 C63 C59 59.21(15) . .
C61 C62 C63 Fe5 -59.39(17) . .
C60 C59 C63 C62 0.0(2) . .
P5 C59 C63 C62 162.83(16) . .
Fe5 C59 C63 C62 -59.01(15) . .
C60 C59 C63 Fe5 58.99(15) . .
P5 C59 C63 Fe5 -138.15(17) . .
C64 Fe5 C63 C62 -79.93(16) . .
C61 Fe5 C63 C62 37.62(15) . .
C60 Fe5 C63 C62 81.55(15) . .
C68 Fe5 C63 C62 -37.4(3) . .
C65 Fe5 C63 C62 -125.60(14) . .
C66 Fe5 C63 C62 -168.67(14) . .
C59 Fe5 C63 C62 119.51(19) . .
C67 Fe5 C63 C62 139.9(4) . .
C64 Fe5 C63 C59 160.56(12) . .
C61 Fe5 C63 C59 -81.89(14) . .
C60 Fe5 C63 C59 -37.95(12) . .
C68 Fe5 C63 C59 -156.87(18) . .
C65 Fe5 C63 C59 114.89(13) . .
C62 Fe5 C63 C59 -119.51(19) . .
C66 Fe5 C63 C59 71.82(17) . .
C67 Fe5 C63 C59 20.4(5) . .
C69 P6 C64 C65 26.3(2) . .
C91 P6 C64 C65 -85.5(2) . .
S6 P6 C64 C65 151.13(17) . .
C69 P6 C64 C68 -165.68(19) . .
C91 P6 C64 C68 82.5(2) . .
S6 P6 C64 C68 -40.8(2) . .
C69 P6 C64 Fe5 -71.95(17) . .
C91 P6 C64 Fe5 176.25(15) . .
S6 P6 C64 Fe5 52.89(17) . .
C61 Fe5 C64 C65 -174.16(14) . .
C60 Fe5 C64 C65 153.9(3) . .
C68 Fe5 C64 C65 118.23(18) . .
C62 Fe5 C64 C65 -133.10(14) . .
C66 Fe5 C64 C65 37.32(12) . .
C63 Fe5 C64 C65 -91.12(14) . .
C59 Fe5 C64 C65 -58.2(3) . .
C67 Fe5 C64 C65 80.71(14) . .
C61 Fe5 C64 C68 67.62(18) . .
C60 Fe5 C64 C68 35.7(3) . .
C65 Fe5 C64 C68 -118.23(18) . .
C62 Fe5 C64 C68 108.67(15) . .
C66 Fe5 C64 C68 -80.91(14) . .
C63 Fe5 C64 C68 150.66(14) . .
C59 Fe5 C64 C68 -176.42(19) . .
C67 Fe5 C64 C68 -37.52(14) . .
C61 Fe5 C64 P6 -50.4(2) . .
C60 Fe5 C64 P6 -82.3(3) . .
C68 Fe5 C64 P6 -118.0(2) . .
C65 Fe5 C64 P6 123.8(2) . .
C62 Fe5 C64 P6 -9.30(19) . .
C66 Fe5 C64 P6 161.12(18) . .
C63 Fe5 C64 P6 32.68(19) . .
C59 Fe5 C64 P6 65.6(3) . .
C67 Fe5 C64 P6 -155.49(18) . .
C68 C64 C65 C66 0.4(2) . .
P6 C64 C65 C66 170.00(16) . .
Fe5 C64 C65 C66 -59.54(15) . .
C68 C64 C65 Fe5 59.93(15) . .
P6 C64 C65 Fe5 -130.46(18) . .
C64 Fe5 C65 C66 119.41(18) . .
C61 Fe5 C65 C66 137.8(4) . .
C60 Fe5 C65 C66 -40.8(3) . .
C68 Fe5 C65 C66 80.97(14) . .
C62 Fe5 C65 C66 -173.81(14) . .
C63 Fe5 C65 C66 -129.75(13) . .
C59 Fe5 C65 C66 -84.59(15) . .
C67 Fe5 C65 C66 37.42(13) . .
C61 Fe5 C65 C64 18.3(4) . .
C60 Fe5 C65 C64 -160.3(2) . .
C68 Fe5 C65 C64 -38.44(13) . .
C62 Fe5 C65 C64 66.78(17) . .
C66 Fe5 C65 C64 -119.41(18) . .
C63 Fe5 C65 C64 110.83(13) . .
C59 Fe5 C65 C64 155.99(12) . .
C67 Fe5 C65 C64 -81.99(14) . .
C64 C65 C66 C67 -0.7(2) . .
Fe5 C65 C66 C67 -59.61(16) . .
C64 C65 C66 Fe5 58.95(14) . .
C64 Fe5 C66 C67 81.46(15) . .
C61 Fe5 C66 C67 -39.8(2) . .
C60 Fe5 C66 C67 -79.13(16) . .
C68 Fe5 C66 C67 37.12(14) . .
C65 Fe5 C66 C67 119.33(19) . .
C62 Fe5 C66 C67 147.4(5) . .
C63 Fe5 C66 C67 -165.54(14) . .
C59 Fe5 C66 C67 -123.82(14) . .
C64 Fe5 C66 C65 -37.87(12) . .
C61 Fe5 C66 C65 -159.14(17) . .
C60 Fe5 C66 C65 161.54(12) . .
C68 Fe5 C66 C65 -82.21(14) . .
C62 Fe5 C66 C65 28.1(6) . .
C63 Fe5 C66 C65 75.13(16) . .
C59 Fe5 C66 C65 116.85(13) . .
C67 Fe5 C66 C65 -119.33(19) . .
C65 C66 C67 C68 0.7(3) . .
Fe5 C66 C67 C68 -58.60(17) . .
C65 C66 C67 Fe5 59.28(15) . .
C64 Fe5 C67 C68 38.20(13) . .
C61 Fe5 C67 C68 -80.72(16) . .
C60 Fe5 C67 C68 -122.97(14) . .
C65 Fe5 C67 C68 82.51(14) . .
C62 Fe5 C67 C68 -49.8(2) . .
C66 Fe5 C67 C68 120.1(2) . .
C63 Fe5 C67 C68 -178(10) . .
C59 Fe5 C67 C68 -161.24(13) . .
C64 Fe5 C67 C66 -81.86(14) . .
C61 Fe5 C67 C66 159.23(14) . .
C60 Fe5 C67 C66 116.98(14) . .
C68 Fe5 C67 C66 -120.1(2) . .
C65 Fe5 C67 C66 -37.55(13) . .
C62 Fe5 C67 C66 -169.84(17) . .
C63 Fe5 C67 C66 61.9(5) . .
C59 Fe5 C67 C66 78.70(16) . .
C66 C67 C68 C64 -0.4(3) . .
Fe5 C67 C68 C64 -59.33(16) . .
C66 C67 C68 Fe5 58.89(17) . .
C65 C64 C68 C67 0.0(3) . .
P6 C64 C68 C67 -170.11(17) . .
Fe5 C64 C68 C67 60.07(17) . .
C65 C64 C68 Fe5 -60.04(14) . .
P6 C64 C68 Fe5 129.82(17) . .
C64 Fe5 C68 C67 -119.0(2) . .
C61 Fe5 C68 C67 112.67(16) . .
C60 Fe5 C68 C67 74.07(17) . .
C65 Fe5 C68 C67 -80.59(15) . .
C62 Fe5 C68 C67 153.36(15) . .
C66 Fe5 C68 C67 -37.03(14) . .
C63 Fe5 C68 C67 179(10) . .
C59 Fe5 C68 C67 56.4(3) . .
C61 Fe5 C68 C64 -128.38(14) . .
C60 Fe5 C68 C64 -166.98(13) . .
C65 Fe5 C68 C64 38.36(12) . .
C62 Fe5 C68 C64 -87.69(15) . .
C66 Fe5 C68 C64 81.92(14) . .
C63 Fe5 C68 C64 -61.9(2) . .
C59 Fe5 C68 C64 175.3(3) . .
C67 Fe5 C68 C64 119.0(2) . .
C64 P6 C69 C73 53.5(2) . .
C91 P6 C69 C73 164.14(18) . .
S6 P6 C69 C73 -72.89(19) . .
C64 P6 C69 C70 -146.7(2) . .
C91 P6 C69 C70 -36.1(2) . .
S6 P6 C69 C70 86.9(2) . .
C64 P6 C69 Fe6 -46.8(2) . .
C91 P6 C69 Fe6 63.9(2) . .
S6 P6 C69 Fe6 -173.16(15) . .
C74 Fe6 C69 C73 -44.9(3) . .
C71 Fe6 C69 C73 81.21(15) . .
C78 Fe6 C69 C73 144.4(3) . .
C70 Fe6 C69 C73 118.6(2) . .
C72 Fe6 C69 C73 37.39(14) . .
C75 Fe6 C69 C73 -86.69(15) . .
C77 Fe6 C69 C73 -173.66(14) . .
C76 Fe6 C69 C73 -130.43(14) . .
C74 Fe6 C69 C70 -163.5(2) . .
C71 Fe6 C69 C70 -37.43(16) . .
C78 Fe6 C69 C70 25.8(4) . .
C72 Fe6 C69 C70 -81.25(16) . .
C75 Fe6 C69 C70 154.67(15) . .
C77 Fe6 C69 C70 67.70(19) . .
C76 Fe6 C69 C70 110.93(16) . .
C73 Fe6 C69 C70 -118.6(2) . .
C74 Fe6 C69 P6 75.6(3) . .
C71 Fe6 C69 P6 -158.2(2) . .
C78 Fe6 C69 P6 -95.1(3) . .
C70 Fe6 C69 P6 -120.8(3) . .
C72 Fe6 C69 P6 157.9(2) . .
C75 Fe6 C69 P6 33.9(2) . .
C77 Fe6 C69 P6 -53.1(2) . .
C76 Fe6 C69 P6 -9.9(2) . .
C73 Fe6 C69 P6 120.6(2) . .
C73 C69 C70 C71 -0.3(3) . .
P6 C69 C70 C71 -162.99(18) . .
Fe6 C69 C70 C71 59.28(18) . .
C73 C69 C70 Fe6 -59.59(15) . .
P6 C69 C70 Fe6 137.72(18) . .
C74 Fe6 C70 C71 42.4(4) . .
C78 Fe6 C70 C71 70.2(2) . .
C72 Fe6 C70 C71 -37.57(17) . .
C75 Fe6 C70 C71 179.6(2) . .
C77 Fe6 C70 C71 110.46(18) . .
C76 Fe6 C70 C71 151.37(17) . .
C69 Fe6 C70 C71 -119.4(2) . .
C73 Fe6 C70 C71 -81.41(18) . .
C74 Fe6 C70 C69 161.8(2) . .
C71 Fe6 C70 C69 119.4(2) . .
C78 Fe6 C70 C69 -170.46(14) . .
C72 Fe6 C70 C69 81.82(16) . .
C75 Fe6 C70 C69 -61.0(3) . .
C77 Fe6 C70 C69 -130.15(15) . .
C76 Fe6 C70 C69 -89.25(16) . .
C73 Fe6 C70 C69 37.98(13) . .
C69 C70 C71 C72 0.0(3) . .
Fe6 C70 C71 C72 59.53(18) . .
C69 C70 C71 Fe6 -59.57(17) . .
C74 Fe6 C71 C70 -163.80(15) . .
C78 Fe6 C71 C70 -124.97(17) . .
C72 Fe6 C71 C70 119.5(2) . .
C75 Fe6 C71 C70 -180(10) . .
C77 Fe6 C71 C70 -84.33(18) . .
C76 Fe6 C71 C70 -58.1(3) . .
C69 Fe6 C71 C70 37.78(15) . .
C73 Fe6 C71 C70 81.68(17) . .
C74 Fe6 C71 C72 76.68(18) . .
C78 Fe6 C71 C72 115.51(16) . .
C70 Fe6 C71 C72 -119.5(2) . .
C75 Fe6 C71 C72 61.0(4) . .
C77 Fe6 C71 C72 156.14(15) . .
C76 Fe6 C71 C72 -177.60(18) . .
C69 Fe6 C71 C72 -81.74(16) . .
C73 Fe6 C71 C72 -37.84(15) . .
C70 C71 C72 C73 0.4(3) . .
Fe6 C71 C72 C73 59.94(16) . .
C70 C71 C72 Fe6 -59.57(18) . .
C74 Fe6 C72 C71 -121.75(15) . .
C78 Fe6 C72 C71 -78.36(17) . .
C70 Fe6 C72 C71 37.40(15) . .
C75 Fe6 C72 C71 -161.08(15) . .
C77 Fe6 C72 C71 -45.5(3) . .
C76 Fe6 C72 C71 174.0(5) . .
C69 Fe6 C72 C71 81.47(16) . .
C73 Fe6 C72 C71 118.9(2) . .
C74 Fe6 C72 C73 119.33(14) . .
C71 Fe6 C72 C73 -118.9(2) . .
C78 Fe6 C72 C73 162.73(13) . .
C70 Fe6 C72 C73 -81.51(15) . .
C75 Fe6 C72 C73 80.00(17) . .
C77 Fe6 C72 C73 -164.45(17) . .
C76 Fe6 C72 C73 55.1(5) . .
C69 Fe6 C72 C73 -37.45(13) . .
C71 C72 C73 C69 -0.6(3) . .
Fe6 C72 C73 C69 58.90(15) . .
C71 C72 C73 Fe6 -59.46(18) . .
C70 C69 C73 C72 0.5(2) . .
P6 C69 C73 C72 163.36(16) . .
Fe6 C69 C73 C72 -58.66(16) . .
C70 C69 C73 Fe6 59.19(16) . .
P6 C69 C73 Fe6 -137.99(17) . .
C74 Fe6 C73 C72 -78.71(16) . .
C71 Fe6 C73 C72 37.87(15) . .
C78 Fe6 C73 C72 -35.8(3) . .
C70 Fe6 C73 C72 81.56(16) . .
C75 Fe6 C73 C72 -124.21(14) . .
C77 Fe6 C73 C72 142.5(4) . .
C76 Fe6 C73 C72 -167.45(15) . .
C69 Fe6 C73 C72 119.71(19) . .
C74 Fe6 C73 C69 161.58(12) . .
C71 Fe6 C73 C69 -81.84(15) . .
C78 Fe6 C73 C69 -155.54(19) . .
C70 Fe6 C73 C69 -38.14(13) . .
C72 Fe6 C73 C69 -119.71(19) . .
C75 Fe6 C73 C69 116.08(13) . .
C77 Fe6 C73 C69 22.8(5) . .
C76 Fe6 C73 C69 72.84(16) . .
C49 P4 C74 C75 28.3(2) . .
C79 P4 C74 C75 -84.1(2) . .
S4 P4 C74 C75 153.18(18) . .
C49 P4 C74 C78 -160.20(19) . .
C79 P4 C74 C78 87.3(2) . .
S4 P4 C74 C78 -35.4(2) . .
C49 P4 C74 Fe6 -68.82(17) . .
C79 P4 C74 Fe6 178.72(14) . .
S4 P4 C74 Fe6 56.02(16) . .
C71 Fe6 C74 C75 -173.22(14) . .
C78 Fe6 C74 C75 118.24(19) . .
C70 Fe6 C74 C75 155.2(3) . .
C72 Fe6 C74 C75 -131.75(14) . .
C77 Fe6 C74 C75 80.82(14) . .
C76 Fe6 C74 C75 37.29(13) . .
C69 Fe6 C74 C75 -57.2(3) . .
C73 Fe6 C74 C75 -89.92(14) . .
C71 Fe6 C74 C78 68.54(18) . .
C70 Fe6 C74 C78 37.0(3) . .
C72 Fe6 C74 C78 110.01(15) . .
C75 Fe6 C74 C78 -118.24(19) . .
C77 Fe6 C74 C78 -37.42(15) . .
C76 Fe6 C74 C78 -80.95(15) . .
C69 Fe6 C74 C78 -175.4(2) . .
C73 Fe6 C74 C78 151.84(14) . .
C71 Fe6 C74 P4 -48.5(2) . .
C78 Fe6 C74 P4 -117.1(2) . .
C70 Fe6 C74 P4 -80.1(3) . .
C72 Fe6 C74 P4 -7.07(18) . .
C75 Fe6 C74 P4 124.7(2) . .
C77 Fe6 C74 P4 -154.51(19) . .
C76 Fe6 C74 P4 161.97(18) . .
C69 Fe6 C74 P4 67.5(3) . .
C73 Fe6 C74 P4 34.75(19) . .
C78 C74 C75 C76 0.4(2) . .
P4 C74 C75 C76 172.96(17) . .
Fe6 C74 C75 C76 -59.40(15) . .
C78 C74 C75 Fe6 59.81(15) . .
P4 C74 C75 Fe6 -127.64(19) . .
C74 Fe6 C75 C76 119.51(19) . .
C71 Fe6 C75 C76 139.7(4) . .
C78 Fe6 C75 C76 80.97(15) . .
C70 Fe6 C75 C76 -39.5(3) . .
C72 Fe6 C75 C76 -172.66(15) . .
C77 Fe6 C75 C76 37.45(14) . .
C69 Fe6 C75 C76 -83.28(16) . .
C73 Fe6 C75 C76 -128.39(14) . .
C71 Fe6 C75 C74 20.2(4) . .
C78 Fe6 C75 C74 -38.54(13) . .
C70 Fe6 C75 C74 -159.0(2) . .
C72 Fe6 C75 C74 67.83(17) . .
C77 Fe6 C75 C74 -82.06(14) . .
C76 Fe6 C75 C74 -119.51(19) . .
C69 Fe6 C75 C74 157.21(12) . .
C73 Fe6 C75 C74 112.10(13) . .
C74 C75 C76 C77 -0.4(3) . .
Fe6 C75 C76 C77 -59.18(17) . .
C74 C75 C76 Fe6 58.80(14) . .
C74 Fe6 C76 C75 -37.77(13) . .
C71 Fe6 C76 C75 -157.88(19) . .
C78 Fe6 C76 C75 -82.26(14) . .
C70 Fe6 C76 C75 162.81(13) . .
C72 Fe6 C76 C75 30.1(6) . .
C77 Fe6 C76 C75 -119.45(19) . .
C69 Fe6 C76 C75 118.15(13) . .
C73 Fe6 C76 C75 76.15(16) . .
C74 Fe6 C76 C77 81.68(15) . .
C71 Fe6 C76 C77 -38.4(3) . .
C78 Fe6 C76 C77 37.19(14) . .
C70 Fe6 C76 C77 -77.75(16) . .
C72 Fe6 C76 C77 149.6(5) . .
C75 Fe6 C76 C77 119.45(19) . .
C69 Fe6 C76 C77 -122.40(14) . .
C73 Fe6 C76 C77 -164.40(14) . .
C75 C76 C77 C78 0.2(3) . .
Fe6 C76 C77 C78 -58.94(18) . .
C75 C76 C77 Fe6 59.14(15) . .
C74 Fe6 C77 C78 38.22(14) . .
C71 Fe6 C77 C78 -79.71(17) . .
C70 Fe6 C77 C78 -121.63(16) . .
C72 Fe6 C77 C78 -49.0(3) . .
C75 Fe6 C77 C78 82.41(15) . .
C76 Fe6 C77 C78 119.9(2) . .
C69 Fe6 C77 C78 -160.39(14) . .
C73 Fe6 C77 C78 -179(10) . .
C74 Fe6 C77 C76 -81.66(14) . .
C71 Fe6 C77 C76 160.41(14) . .
C78 Fe6 C77 C76 -119.9(2) . .
C70 Fe6 C77 C76 118.50(14) . .
C72 Fe6 C77 C76 -168.87(18) . .
C75 Fe6 C77 C76 -37.46(13) . .
C69 Fe6 C77 C76 79.74(16) . .
C73 Fe6 C77 C76 61.3(5) . .
C76 C77 C78 C74 0.1(3) . .
Fe6 C77 C78 C74 -59.22(16) . .
C76 C77 C78 Fe6 59.28(17) . .
C75 C74 C78 C77 -0.3(3) . .
P4 C74 C78 C77 -173.34(17) . .
Fe6 C74 C78 C77 59.82(17) . .
C75 C74 C78 Fe6 -60.11(15) . .
P4 C74 C78 Fe6 126.85(17) . .
C74 Fe6 C78 C77 -119.1(2) . .
C71 Fe6 C78 C77 113.68(17) . .
C70 Fe6 C78 C77 75.05(19) . .
C72 Fe6 C78 C77 154.40(16) . .
C75 Fe6 C78 C77 -80.80(16) . .
C76 Fe6 C78 C77 -37.23(15) . .
C69 Fe6 C78 C77 55.6(4) . .
C73 Fe6 C78 C77 179(10) . .
C71 Fe6 C78 C74 -127.24(15) . .
C70 Fe6 C78 C74 -165.87(14) . .
C72 Fe6 C78 C74 -86.52(16) . .
C75 Fe6 C78 C74 38.28(13) . .
C77 Fe6 C78 C74 119.1(2) . .
C76 Fe6 C78 C74 81.85(14) . .
C69 Fe6 C78 C74 174.6(2) . .
C73 Fe6 C78 C74 -61.5(3) . .
C74 P4 C79 C84 25.2(2) . .
C49 P4 C79 C84 -90.6(2) . .
S4 P4 C79 C84 147.81(19) . .
C74 P4 C79 C80 -153.8(2) . .
C49 P4 C79 C80 90.4(2) . .
S4 P4 C79 C80 -31.2(2) . .
C84 C79 C80 C81 -0.4(5) . .
P4 C79 C80 C81 178.6(3) . .
C79 C80 C81 C82 1.2(6) . .
C80 C81 C82 C83 -1.3(6) . .
C81 C82 C83 C84 0.8(6) . .
C80 C79 C84 C83 -0.1(4) . .
P4 C79 C84 C83 -179.1(2) . .
C82 C83 C84 C79 0.0(5) . .
C54 P5 C85 C90 26.4(2) . .
C59 P5 C85 C90 -90.1(2) . .
S5 P5 C85 C90 148.6(2) . .
C54 P5 C85 C86 -151.5(2) . .
C59 P5 C85 C86 92.0(2) . .
S5 P5 C85 C86 -29.3(2) . .
C90 C85 C86 C87 -0.8(4) . .
P5 C85 C86 C87 177.2(2) . .
C85 C86 C87 C88 0.0(5) . .
C86 C87 C88 C89 1.0(6) . .
C87 C88 C89 C90 -1.2(6) . .
C86 C85 C90 C89 0.5(5) . .
P5 C85 C90 C89 -177.4(3) . .
C88 C89 C90 C85 0.5(6) . .
C69 P6 C91 C96 91.9(2) . .
C64 P6 C91 C96 -152.8(2) . .
S6 P6 C91 C96 -29.4(3) . .
C69 P6 C91 C92 -88.9(2) . .
C64 P6 C91 C92 26.4(2) . .
S6 P6 C91 C92 149.82(19) . .
C96 C91 C92 C93 -0.3(4) . .
P6 C91 C92 C93 -179.5(2) . .
C91 C92 C93 C94 0.5(4) . .
C92 C93 C94 C95 -0.4(5) . .
C93 C94 C95 C96 0.1(6) . .
C92 C91 C96 C95 -0.1(5) . .
P6 C91 C96 C95 179.2(3) . .
C94 C95 C96 C91 0.1(6) . .
C102 P7 C97 C101 -25.4(2) 2 .
C107 P7 C97 C101 86.4(2) . .
S7 P7 C97 C101 -150.81(19) . .
C102 P7 C97 C98 161.0(2) 2 .
C107 P7 C97 C98 -87.2(2) . .
S7 P7 C97 C98 35.6(2) . .
C102 P7 C97 Fe7 71.06(17) 2 .
C107 P7 C97 Fe7 -177.19(14) . .
S7 P7 C97 Fe7 -54.36(16) . .
C98 Fe7 C97 C101 -118.48(19) . .
C106 Fe7 C97 C101 -155.6(3) . .
C105 Fe7 C97 C101 172.69(15) . .
C99 Fe7 C97 C101 -80.94(14) . .
C100 Fe7 C97 C101 -37.32(13) . .
C104 Fe7 C97 C101 131.57(14) . .
C103 Fe7 C97 C101 90.13(14) . .
C102 Fe7 C97 C101 57.2(3) . .
C106 Fe7 C97 C98 -37.1(4) . .
C105 Fe7 C97 C98 -68.83(19) . .
C99 Fe7 C97 C98 37.54(15) . .
C100 Fe7 C97 C98 81.16(15) . .
C104 Fe7 C97 C98 -109.95(16) . .
C101 Fe7 C97 C98 118.48(19) . .
C103 Fe7 C97 C98 -151.39(14) . .
C102 Fe7 C97 C98 175.7(2) . .
C98 Fe7 C97 P7 116.5(2) . .
C106 Fe7 C97 P7 79.4(3) . .
C105 Fe7 C97 P7 47.7(2) . .
C99 Fe7 C97 P7 154.06(18) . .
C100 Fe7 C97 P7 -162.32(18) . .
C104 Fe7 C97 P7 6.57(18) . .
C101 Fe7 C97 P7 -125.0(2) . .
C103 Fe7 C97 P7 -34.87(19) . .
C102 Fe7 C97 P7 -67.8(3) . .
C101 C97 C98 C99 -0.2(3) . .
P7 C97 C98 C99 174.59(19) . .
Fe7 C97 C98 C99 -60.19(19) . .
C101 C97 C98 Fe7 59.98(16) . .
P7 C97 C98 Fe7 -125.23(18) . .
C106 Fe7 C98 C99 -75.13(19) . .
C97 Fe7 C98 C99 118.9(2) . .
C105 Fe7 C98 C99 -113.87(18) . .
C100 Fe7 C98 C99 37.37(16) . .
C104 Fe7 C98 C99 -154.33(16) . .
C101 Fe7 C98 C99 80.85(16) . .
C103 Fe7 C98 C99 -179(10) . .
C102 Fe7 C98 C99 -55.8(4) . .
C106 Fe7 C98 C97 165.93(14) . .
C105 Fe7 C98 C97 127.20(15) . .
C99 Fe7 C98 C97 -118.9(2) . .
C100 Fe7 C98 C97 -81.56(15) . .
C104 Fe7 C98 C97 86.73(16) . .
C101 Fe7 C98 C97 -38.08(13) . .
C103 Fe7 C98 C97 62.0(3) . .
C102 Fe7 C98 C97 -174.7(3) . .
C97 C98 C99 C100 0.5(3) . .
Fe7 C98 C99 C100 -59.19(19) . .
C97 C98 C99 Fe7 59.72(18) . .
C106 Fe7 C99 C98 121.84(16) . .
C97 Fe7 C99 C98 -38.18(15) . .
C105 Fe7 C99 C98 79.89(18) . .
C100 Fe7 C99 C98 -119.6(2) . .
C104 Fe7 C99 C98 49.3(3) . .
C101 Fe7 C99 C98 -82.25(16) . .
C103 Fe7 C99 C98 178(10) . .
C102 Fe7 C99 C98 160.71(14) . .
C98 Fe7 C99 C100 119.6(2) . .
C106 Fe7 C99 C100 -118.51(15) . .
C97 Fe7 C99 C100 81.46(15) . .
C105 Fe7 C99 C100 -160.46(15) . .
C104 Fe7 C99 C100 168.9(2) . .
C101 Fe7 C99 C100 37.39(14) . .
C103 Fe7 C99 C100 -62.3(5) . .
C102 Fe7 C99 C100 -79.64(18) . .
C98 C99 C100 C101 -0.7(3) . .
Fe7 C99 C100 C101 -59.50(17) . .
C98 C99 C100 Fe7 58.8(2) . .
C98 Fe7 C100 C101 82.12(15) . .
C106 Fe7 C100 C101 -162.57(14) . .
C97 Fe7 C100 C101 37.77(13) . .
C105 Fe7 C100 C101 158.2(2) . .
C99 Fe7 C100 C101 119.4(2) . .
C104 Fe7 C100 C101 -30.7(6) . .
C103 Fe7 C100 C101 -76.13(18) . .
C102 Fe7 C100 C101 -117.81(14) . .
C98 Fe7 C100 C99 -37.30(15) . .
C106 Fe7 C100 C99 78.01(18) . .
C97 Fe7 C100 C99 -81.65(16) . .
C105 Fe7 C100 C99 38.8(3) . .
C104 Fe7 C100 C99 -150.1(5) . .
C101 Fe7 C100 C99 -119.4(2) . .
C103 Fe7 C100 C99 164.45(15) . .
C102 Fe7 C100 C99 122.77(15) . .
C99 C100 C101 C97 0.5(3) . .
Fe7 C100 C101 C97 -58.90(16) . .
C99 C100 C101 Fe7 59.43(19) . .
C98 C97 C101 C100 -0.2(3) . .
P7 C97 C101 C100 -174.57(18) . .
Fe7 C97 C101 C100 59.31(17) . .
C98 C97 C101 Fe7 -59.51(17) . .
P7 C97 C101 Fe7 126.1(2) . .
C98 Fe7 C101 C100 -81.06(15) . .
C106 Fe7 C101 C100 40.1(3) . .
C97 Fe7 C101 C100 -119.39(19) . .
C105 Fe7 C101 C100 -141.2(4) . .
C99 Fe7 C101 C100 -37.50(14) . .
C104 Fe7 C101 C100 172.47(15) . .
C103 Fe7 C101 C100 128.60(14) . .
C102 Fe7 C101 C100 83.68(16) . .
C98 Fe7 C101 C97 38.33(13) . .
C106 Fe7 C101 C97 159.5(2) . .
C105 Fe7 C101 C97 -21.8(4) . .
C99 Fe7 C101 C97 81.88(14) . .
C100 Fe7 C101 C97 119.39(19) . .
C104 Fe7 C101 C97 -68.15(17) . .
C103 Fe7 C101 C97 -112.01(13) . .
C102 Fe7 C101 C97 -156.94(13) . .
C98 Fe7 C102 C103 -143.5(3) . .
C106 Fe7 C102 C103 -118.1(2) . .
C97 Fe7 C102 C103 45.5(3) . .
C105 Fe7 C102 C103 -80.41(16) . .
C99 Fe7 C102 C103 174.11(14) . .
C100 Fe7 C102 C103 130.79(14) . .
C104 Fe7 C102 C103 -36.91(15) . .
C101 Fe7 C102 C103 87.05(15) . .
C98 Fe7 C102 C106 -25.4(4) . .
C97 Fe7 C102 C106 163.6(2) . .
C105 Fe7 C102 C106 37.70(17) . .
C99 Fe7 C102 C106 -67.77(19) . .
C100 Fe7 C102 C106 -111.10(16) . .
C104 Fe7 C102 C106 81.20(17) . .
C101 Fe7 C102 C106 -154.84(15) . .
C103 Fe7 C102 C106 118.1(2) . .
C98 Fe7 C102 P7 94.4(3) . 3
C106 Fe7 C102 P7 119.8(3) . 3
C97 Fe7 C102 P7 -76.6(3) . 3
C105 Fe7 C102 P7 157.5(2) . 3
C99 Fe7 C102 P7 52.1(2) . 3
C100 Fe7 C102 P7 8.7(2) . 3
C104 Fe7 C102 P7 -159.0(2) . 3
C101 Fe7 C102 P7 -35.0(2) . 3
C103 Fe7 C102 P7 -122.0(3) . 3
C106 C102 C103 C104 -0.2(3) . .
P7 C102 C103 C104 -162.41(18) 3 .
Fe7 C102 C103 C104 59.06(18) . .
C106 C102 C103 Fe7 -59.28(17) . .
P7 C102 C103 Fe7 138.54(18) 3 .
C98 Fe7 C103 C104 35.7(3) . .
C106 Fe7 C103 C104 -81.64(17) . .
C97 Fe7 C103 C104 78.71(18) . .
C105 Fe7 C103 C104 -37.82(17) . .
C99 Fe7 C103 C104 -141.6(5) . .
C100 Fe7 C103 C104 167.37(16) . .
C101 Fe7 C103 C104 124.15(16) . .
C102 Fe7 C103 C104 -120.2(2) . .
C98 Fe7 C103 C102 155.8(2) . .
C106 Fe7 C103 C102 38.52(13) . .
C97 Fe7 C103 C102 -161.13(12) . .
C105 Fe7 C103 C102 82.34(15) . .
C99 Fe7 C103 C102 -21.4(5) . .
C100 Fe7 C103 C102 -72.47(17) . .
C104 Fe7 C103 C102 120.2(2) . .
C101 Fe7 C103 C102 -115.69(13) . .
C102 C103 C104 C105 0.4(3) . .
Fe7 C103 C104 C105 59.5(2) . .
C102 C103 C104 Fe7 -59.11(17) . .
C98 Fe7 C104 C105 78.63(19) . .
C106 Fe7 C104 C105 -37.43(17) . .
C97 Fe7 C104 C105 121.94(17) . .
C99 Fe7 C104 C105 45.6(3) . .
C100 Fe7 C104 C105 -173.3(5) . .
C101 Fe7 C104 C105 161.30(16) . .
C103 Fe7 C104 C105 -118.7(2) . .
C102 Fe7 C104 C105 -81.63(17) . .
C98 Fe7 C104 C103 -162.63(15) . .
C106 Fe7 C104 C103 81.31(16) . .
C97 Fe7 C104 C103 -119.32(15) . .
C105 Fe7 C104 C103 118.7(2) . .
C99 Fe7 C104 C103 164.33(19) . .
C100 Fe7 C104 C103 -54.6(6) . .
C101 Fe7 C104 C103 -79.95(18) . .
C102 Fe7 C104 C103 37.12(14) . .
C103 C104 C105 C106 -0.5(3) . .
Fe7 C104 C105 C106 59.4(2) . .
C103 C104 C105 Fe7 -59.91(18) . .
C98 Fe7 C105 C104 -115.37(17) . .
C106 Fe7 C105 C104 119.6(3) . .
C97 Fe7 C105 C104 -76.53(19) . .
C99 Fe7 C105 C104 -156.11(16) . .
C100 Fe7 C105 C104 177.3(2) . .
C101 Fe7 C105 C104 -59.6(5) . .
C103 Fe7 C105 C104 37.73(16) . .
C102 Fe7 C105 C104 81.47(17) . .
C98 Fe7 C105 C106 125.04(18) . .
C97 Fe7 C105 C106 163.89(16) . .
C99 Fe7 C105 C106 84.31(19) . .
C100 Fe7 C105 C106 57.7(3) . .
C104 Fe7 C105 C106 -119.6(3) . .
C101 Fe7 C105 C106 -179(10) . .
C103 Fe7 C105 C106 -81.86(18) . .
C102 Fe7 C105 C106 -38.11(17) . .
C104 C105 C106 C102 0.3(3) . .
Fe7 C105 C106 C102 60.09(18) . .
C104 C105 C106 Fe7 -59.7(2) . .
C103 C102 C106 C105 -0.1(3) . .
P7 C102 C106 C105 162.3(2) 3 .
Fe7 C102 C106 C105 -59.87(19) . .
C103 C102 C106 Fe7 59.80(16) . .
P7 C102 C106 Fe7 -137.85(19) 3 .
C98 Fe7 C106 C105 -70.4(2) . .
C97 Fe7 C106 C105 -42.6(4) . .
C99 Fe7 C106 C105 -110.80(19) . .
C100 Fe7 C106 C105 -151.85(18) . .
C104 Fe7 C106 C105 37.29(19) . .
C101 Fe7 C106 C105 179.5(2) . .
C103 Fe7 C106 C105 80.75(19) . .
C102 Fe7 C106 C105 118.8(2) . .
C98 Fe7 C106 C102 170.77(14) . .
C97 Fe7 C106 C102 -161.4(3) . .
C105 Fe7 C106 C102 -118.8(2) . .
C99 Fe7 C106 C102 130.38(15) . .
C100 Fe7 C106 C102 89.32(17) . .
C104 Fe7 C106 C102 -81.54(16) . .
C101 Fe7 C106 C102 60.6(3) . .
C103 Fe7 C106 C102 -38.08(14) . .
C97 P7 C107 C112 -35.0(3) . .
C102 P7 C107 C112 81.3(3) 2 .
S7 P7 C107 C112 -157.3(2) . .
C97 P7 C107 C108 145.6(2) . .
C102 P7 C107 C108 -98.1(2) 2 .
S7 P7 C107 C108 23.3(3) . .
C112 C107 C108 C109 -2.3(5) . .
P7 C107 C108 C109 177.1(3) . .
C107 C108 C109 C110 2.4(6) . .
C108 C109 C110 C111 -2.0(7) . .
C109 C110 C111 C112 1.6(7) . .
C108 C107 C112 C111 1.8(5) . .
P7 C107 C112 C111 -177.5(3) . .
C110 C111 C112 C107 -1.5(7) . .
C116 O1 C113 C114 16.7(6) . .
O1 C113 C114 C115 0.3(6) . .
C113 C114 C115 C116 -16.1(5) . .
C113 O1 C116 C115 -26.9(5) . .
C114 C115 C116 O1 26.5(5) . .
C120 O2 C117 C118 4.3(7) . .
O2 C117 C118 C119 7.0(6) . .
C117 C118 C119 C120 -14.3(8) . .
C117 O2 C120 C119 -14.4(8) . .
C118 C119 C120 O2 18.2(9) . .
C124 O3 C121 C122 21.6(8) . .
O3 C121 C122 C123 -5.9(8) . .
C121 C122 C123 C124 -11.0(8) . .
C121 O3 C124 C123 -27.6(7) . .
C122 C123 C124 O3 24.2(7) . .
C128 O4 C125 C126 0.0 . .
C128 O4 C125 C128 -53.8(15) . 11_556
C128 O4 C125 C127 -119(2) . 11_556
O4 C125 C126 C128 -125.9(9) . 11_556
C127 C125 C126 C128 10.5(6) 11_556 11_556
O4 C125 C126 C127 0.0 . .
C128 C125 C126 C127 125.9(9) 11_556 .
C127 C125 C126 C127 136.4(5) 11_556 .
C128 C126 C127 C128 73(3) 11_556 .
C125 C126 C127 C128 0.0 . .
C128 C126 C127 C125 41(5) 11_556 12_556
C125 C126 C127 C125 -32(3) . 12_556
C125 O4 C128 C126 -179.6(10) . 12_556
C125 O4 C128 C127 0.0 . .
C125 O4 C128 C125 112(5) . 12_556
C126 C127 C128 C126 179.4(14) . 12_556
C125 C127 C128 C126 -18.9(7) 12_556 12_556
C126 C127 C128 O4 0.0 . .
C125 C127 C128 O4 161.7(8) 12_556 .
C126 C127 C128 C125 -161.7(8) . 12_556
C132 O5 C129 C130 0.0 . .
O5 C129 C130 C131 0.0 . .
C129 C130 C131 C132 0.0 . .
C129 O5 C132 C131 0.0 . .
C130 C131 C132 O5 0.0 . .
O6 O6 C133 C136 141(5) 2 3
O6 O6 C133 C136 176(6) 3 3
C133 O6 C133 C136 66(6) 2 3
C136 O6 C133 C136 81(5) . 3
O6 O6 C133 O6 -35.4(13) 2 3
C133 O6 C133 O6 -110.5(18) 2 3
C136 O6 C133 O6 -176(6) 3 3
C136 O6 C133 O6 -95(2) . 3
O6 O6 C133 C134 59.5(18) 2 .
O6 O6 C133 C134 95(2) 3 .
C133 O6 C133 C134 -16(3) 2 .
C136 O6 C133 C134 -81(5) 3 .
C136 O6 C133 C134 0.0 . .
O6 O6 C133 C135 82(3) 2 3
O6 O6 C133 C135 117(4) 3 3
C133 O6 C133 C135 7(4) 2 3
C136 O6 C133 C135 -59(3) 3 3
C136 O6 C133 C135 22(3) . 3
O6 O6 C133 C136 1.7(17) 2 2
O6 O6 C133 C136 37.1(11) 3 2
C133 O6 C133 C136 -73.4(14) 2 2
C136 O6 C133 C136 -139(5) 3 2
C136 O6 C133 C136 -57.9(19) . 2
O6 O6 C133 C135 42(2) 2 2
O6 O6 C133 C135 77.1(15) 3 2
C133 O6 C133 C135 -33(2) 2 2
C136 O6 C133 C135 -99(6) 3 2
C136 O6 C133 C135 -17.9(19) . 2
C136 C133 C134 C135 -120(13) 3 2
O6 C133 C134 C135 -4(9) 3 2
O6 C133 C134 C135 -61(10) . 2
C135 C133 C134 C135 -115(15) 3 2
C136 C133 C134 C135 3(7) 2 2
C136 C133 C134 C135 -5(4) 3 3
O6 C133 C134 C135 111(6) 3 3
O6 C133 C134 C135 54(6) . 3
C136 C133 C134 C135 118(8) 2 3
C135 C133 C134 C135 115(15) 2 3
C136 C133 C134 C135 62(19) 3 10
O6 C133 C134 C135 178(100) 3 10
O6 C133 C134 C135 121(22) . 10
C135 C133 C134 C135 67(17) 3 10
C136 C133 C134 C135 -175(24) 2 10
C135 C133 C134 C135 -178(100) 2 10
C136 C133 C134 C134 18(6) 3 12
O6 C133 C134 C134 134(3) 3 12
O6 C133 C134 C134 77(3) . 12
C135 C133 C134 C134 23(5) 3 12
C136 C133 C134 C134 141(5) 2 12
C135 C133 C134 C134 138(11) 2 12
C136 C133 C134 C134 -132(9) 3 11
O6 C133 C134 C134 -17(7) 3 11
O6 C133 C134 C134 -74(6) . 11
C135 C133 C134 C134 -128(10) 3 11
C136 C133 C134 C134 -10(7) 2 11
C135 C133 C134 C134 -13(11) 2 11
C136 C133 C134 C134 -90(6) 3 3
O6 C133 C134 C134 26(3) 3 3
O6 C133 C134 C134 -31(3) . 3
C135 C133 C134 C134 -85(7) 3 3
C136 C133 C134 C134 33(4) 2 3
C135 C133 C134 C134 30(9) 2 3
C136 C133 C134 C134 -30(6) 3 2
O6 C133 C134 C134 85(3) 3 2
O6 C133 C134 C134 28(2) . 2
C135 C133 C134 C134 -26(7) 3 2
C136 C133 C134 C134 92(4) 2 2
C135 C133 C134 C134 89(9) 2 2
C136 C133 C134 C135 -59(6) 3 .
O6 C133 C134 C135 56.7(16) 3 .
O6 C133 C134 C135 0.0 . .
C135 C133 C134 C135 -54(6) 3 .
C136 C133 C134 C135 64(4) 2 .
C135 C133 C134 C135 61(10) 2 .
C136 C133 C134 C135 -81(9) 3 12
O6 C133 C134 C135 35(5) 3 12
O6 C133 C134 C135 -22(5) . 12
C135 C133 C134 C135 -76(11) 3 12
C136 C133 C134 C135 42(4) 2 12
C135 C133 C134 C135 39(5) 2 12
C136 C133 C134 C135 -16(4) 3 11
O6 C133 C134 C135 99(4) 3 11
O6 C133 C134 C135 42(3) . 11
C135 C133 C134 C135 -12(3) 3 11
C136 C133 C134 C135 106(5) 2 11
C135 C133 C134 C135 103(12) 2 11
O6 C133 C134 C136 116(6) 3 3
O6 C133 C134 C136 59(6) . 3
C135 C133 C134 C136 5(4) 3 3
C136 C133 C134 C136 123(7) 2 3
C135 C133 C134 C136 120(13) 2 3
C135 C134 C135 C134 3.4(3) 2 3
C135 C134 C135 C134 -179.9(3) 3 3
C135 C134 C135 C134 92(7) 10 3
C134 C134 C135 C134 129(3) 12 3
C134 C134 C135 C134 55(3) 11 3
C134 C134 C135 C134 -176.6 2 3
C133 C134 C135 C134 -106.43(17) . 3
C135 C134 C135 C134 55(4) 12 3
C135 C134 C135 C134 129(3) 11 3
C136 C134 C135 C134 -118.8(17) 3 3
C135 C134 C135 C134 -180.0(3) 2 2
C135 C134 C135 C134 -3.3(3) 3 2
C135 C134 C135 C134 -91(7) 10 2
C134 C134 C135 C134 -55(3) 12 2
C134 C134 C135 C134 -129(3) 11 2
C134 C134 C135 C134 176.6 3 2
C133 C134 C135 C134 70.17(16) . 2
C135 C134 C135 C134 -128(4) 12 2
C135 C134 C135 C134 -55(3) 11 2
C136 C134 C135 C134 57.8(17) 3 2
C135 C134 C135 C134 -89(7) 2 10
C135 C134 C135 C134 88(7) 3 10
C135 C134 C135 C134 0(7) 10 10
C134 C134 C135 C134 37(6) 12 10
C134 C134 C135 C134 -38(7) 11 10
C134 C134 C135 C134 -92(7) 3 10
C134 C134 C135 C134 91(7) 2 10
C133 C134 C135 C134 161(7) . 10
C135 C134 C135 C134 -37(5) 12 10
C135 C134 C135 C134 36(6) 11 10
C136 C134 C135 C134 149(7) 3 10
C135 C134 C135 C135 -52(3) 2 12
C135 C134 C135 C135 125(3) 3 12
C135 C134 C135 C135 37(7) 10 12
C134 C134 C135 C135 74(3) 12 12
C134 C134 C135 C135 0(5) 11 12
C134 C134 C135 C135 -55(4) 3 12
C134 C134 C135 C135 128(4) 2 12
C133 C134 C135 C135 -161(4) . 12
C135 C134 C135 C135 74(5) 11 12
C136 C134 C135 C135 -174(3) 3 12
C135 C134 C135 C135 -125(3) 2 11
C135 C134 C135 C135 51(3) 3 11
C135 C134 C135 C135 -36(6) 10 11
C134 C134 C135 C135 0(4) 12 11
C134 C134 C135 C135 -74(3) 11 11
C134 C134 C135 C135 -129(3) 3 11
C134 C134 C135 C135 55(3) 2 11
C133 C134 C135 C135 125(3) . 11
C135 C134 C135 C135 -74(5) 12 11
C136 C134 C135 C135 113(3) 3 11
C135 C134 C135 C135 -176.6 2 3
C135 C134 C135 C135 -88(6) 10 3
C134 C134 C135 C135 -51(2) 12 3
C134 C134 C135 C135 -125(3) 11 3
C134 C134 C135 C135 179.9(3) 3 3
C134 C134 C135 C135 3.3(3) 2 3
C133 C134 C135 C135 73.52(18) . 3
C135 C134 C135 C135 -125(3) 12 3
C135 C134 C135 C135 -51(3) 11 3
C136 C134 C135 C135 61.2(18) 3 3
C135 C134 C135 C135 176.6 3 2
C135 C134 C135 C135 89(6) 10 2
C134 C134 C135 C135 125(2) 12 2
C134 C134 C135 C135 51(3) 11 2
C134 C134 C135 C135 -3.4(3) 3 2
C134 C134 C135 C135 180.0(3) 2 2
C133 C134 C135 C135 -109.88(19) . 2
C135 C134 C135 C135 52(3) 12 2
C135 C134 C135 C135 125(3) 11 2
C136 C134 C135 C135 -122.2(18) 3 2
C135 C134 C135 C136 109.87(18) 2 .
C135 C134 C135 C136 -73.52(17) 3 .
C135 C134 C135 C136 -161(6) 10 .
C134 C134 C135 C136 -125(2) 12 .
C134 C134 C135 C136 161(3) 11 .
C134 C134 C135 C136 106.42(18) 3 .
C134 C134 C135 C136 -70.18(17) 2 .
C133 C134 C135 C136 0.0 . .
C135 C134 C135 C136 161(4) 12 .
C135 C134 C135 C136 -125(3) 11 .
C136 C134 C135 C136 -12.3(16) 3 .
C135 C134 C135 C134 -51(3) 2 11
C135 C134 C135 C134 125(3) 3 11
C135 C134 C135 C134 38(5) 10 11
C134 C134 C135 C134 74(5) 12 11
C134 C134 C135 C134 -55(3) 3 11
C134 C134 C135 C134 129(3) 2 11
C133 C134 C135 C134 -161(3) . 11
C135 C134 C135 C134 0(5) 12 11
C135 C134 C135 C134 74(3) 11 11
C136 C134 C135 C134 -174(5) 3 11
C135 C134 C135 C134 -125(2) 2 12
C135 C134 C135 C134 51(2) 3 12
C135 C134 C135 C134 -36(6) 10 12
C134 C134 C135 C134 -74(5) 11 12
C134 C134 C135 C134 -129(3) 3 12
C134 C134 C135 C134 55(3) 2 12
C133 C134 C135 C134 125(2) . 12
C135 C134 C135 C134 -74(3) 12 12
C135 C134 C135 C134 0(4) 11 12
C136 C134 C135 C134 112(3) 3 12
C135 C134 C135 C133 120.7(17) 2 2
C135 C134 C135 C133 -62.7(17) 3 2
C135 C134 C135 C133 -150(6) 10 2
C134 C134 C135 C133 -114(3) 12 2
C134 C134 C135 C133 172(3) 11 2
C134 C134 C135 C133 117.3(16) 3 2
C134 C134 C135 C133 -59.3(16) 2 2
C133 C134 C135 C133 10.9(17) . 2
C135 C134 C135 C133 172(5) 12 2
C135 C134 C135 C133 -114(3) 11 2
C136 C134 C135 C133 -1(3) 3 2
O6 O6 C136 C133 176(6) 2 2
O6 O6 C136 C133 -147(5) 3 2
C136 O6 C136 C133 -74(6) 3 2
C133 O6 C136 C133 -90(5) . 2
O6 O6 C136 O6 36.6(12) 3 2
C133 O6 C136 O6 -176(6) 2 2
C136 O6 C136 O6 109.8(16) 3 2
C133 O6 C136 O6 94(2) . 2
O6 O6 C136 C135 -94(2) 2 .
O6 O6 C136 C135 -57.2(18) 3 .
C133 O6 C136 C135 90(5) 2 .
C136 O6 C136 C135 16(3) 3 .
C133 O6 C136 C135 0.0 . .
O6 O6 C136 C134 -118(4) 2 2
O6 O6 C136 C134 -81(3) 3 2
C133 O6 C136 C134 66(4) 2 2
C136 O6 C136 C134 -8(4) 3 2
C133 O6 C136 C134 -24(3) . 2
O6 O6 C136 C134 -74.1(16) 2 3
O6 O6 C136 C134 -37(3) 3 3
C133 O6 C136 C134 110(6) 2 3
C136 O6 C136 C134 35.7(19) 3 3
C133 O6 C136 C134 20(2) . 3
O6 O6 C136 C133 -34.9(11) 2 3
O6 O6 C136 C133 1.7(17) 3 3
C133 O6 C136 C133 149(5) 2 3
C136 O6 C136 C133 74.9(12) 3 3
C133 O6 C136 C133 59(2) . 3
C134 C135 C136 C133 119(13) 3 2
C134 C135 C136 C133 -5(4) 2 2
C134 C135 C136 C133 -82(15) 10 2
C135 C135 C136 C133 131(9) 12 2
C135 C135 C136 C133 -26(5) 11 2
C135 C135 C136 C133 24(6) 3 2
C135 C135 C136 C133 84(6) 2 2
C134 C135 C136 C133 53(5) . 2
C134 C135 C136 C133 78(10) 11 2
C134 C135 C136 C133 7(4) 12 2
C134 C135 C136 O6 11(9) 3 2
C134 C135 C136 O6 -114(6) 2 2
C134 C135 C136 O6 170(18) 10 2
C135 C135 C136 O6 23(7) 12 2
C135 C135 C136 O6 -135(3) 11 2
C135 C135 C136 O6 -85(3) 3 2
C135 C135 C136 O6 -25(3) 2 2
C134 C135 C136 O6 -55.6(15) . 2
C134 C135 C136 O6 -31(5) 11 2
C134 C135 C136 O6 -101(3) 12 2
C133 C135 C136 O6 -109(6) 2 2
C134 C135 C136 O6 66(9) 3 .
C134 C135 C136 O6 -58(6) 2 .
C134 C135 C136 O6 -135(18) 10 .
C135 C135 C136 O6 78(6) 12 .
C135 C135 C136 O6 -79(3) 11 .
C135 C135 C136 O6 -29(2) 3 .
C135 C135 C136 O6 30(3) 2 .
C134 C135 C136 O6 0.0 . .
C134 C135 C136 O6 25(5) 11 .
C134 C135 C136 O6 -46(3) 12 .
C133 C135 C136 O6 -53(5) 2 .
C134 C135 C136 C134 124(15) 3 2
C134 C135 C136 C134 -77(13) 10 2
C135 C135 C136 C134 136(11) 12 2
C135 C135 C136 C134 -21(6) 11 2
C135 C135 C136 C134 29(7) 3 2
C135 C135 C136 C134 88(7) 2 2
C134 C135 C136 C134 58(6) . 2
C134 C135 C136 C134 83(11) 11 2
C134 C135 C136 C134 12(3) 12 2
C133 C135 C136 C134 5(4) 2 2
C134 C135 C136 C134 -124(15) 2 3
C134 C135 C136 C134 159(24) 10 3
C135 C135 C136 C134 12(10) 12 3
C135 C135 C136 C134 -145(11) 11 3
C135 C135 C136 C134 -96(9) 3 3
C135 C135 C136 C134 -36(9) 2 3
C134 C135 C136 C134 -66(9) . 3
C134 C135 C136 C134 -42(4) 11 3
C134 C135 C136 C134 -112(12) 12 3
C133 C135 C136 C134 -119(13) 2 3
C134 C135 C136 C133 3(7) 3 3
C134 C135 C136 C133 -121(8) 2 3
C134 C135 C136 C133 162(19) 10 3
C135 C135 C136 C133 15(7) 12 3
C135 C135 C136 C133 -142(5) 11 3
C135 C135 C136 C133 -93(4) 3 3
C135 C135 C136 C133 -33(4) 2 3
C134 C135 C136 C133 -63(4) . 3
C134 C135 C136 C133 -39(4) 11 3
C134 C135 C136 C133 -109(5) 12 3
C133 C135 C136 C133 -116(7) 2 3
C140 O7 C137 C138 0.0 . .
O7 C137 C138 C139 0.0 . .
C137 C138 C139 C140 0.0 . .
C137 O7 C140 C139 0.0 . .
C138 C139 C140 O7 0.0 . .
C144 O8 C141 C142 0.0 . .
O8 C141 C142 C143 0.0 . .
C141 C142 C143 C144 0.0 . .
C141 O8 C144 C143 0.0 . .
C142 C143 C144 O8 0.0 . .
