# Supplementary Material (ESI) for Journal of Materials Chemistry # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 1145/233 data_(BEDO-TTF)4[Fe(CN)5NO] _audit_creation_method SHELXL-97 _chemical_formula_sum 'C16.875 H12 Fe0.375 N2.25 O6.375 S6' _chemical_formula_weight 561.59 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Fe' 'Fe' 0.3463 0.8444 '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' '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' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 4.0251(3) _cell_length_b 15.266(2) _cell_length_c 19.259(2) _cell_angle_alpha 97.020(10) _cell_angle_beta 93.230(10) _cell_angle_gamma 96.040(10) _cell_volume 1165.1(2) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.601 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 572 _exptl_absorpt_coefficient_mu 0.850 _exptl_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_reflns_number 3143 _diffrn_reflns_av_R_equivalents 0.0123 _diffrn_reflns_av_sigmaI/netI 0.0213 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 4 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.14 _diffrn_reflns_theta_max 25.03 _reflns_number_total 2735 _reflns_number_gt 2514 _reflns_threshold_expression >2sigma(I) _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.1919P)^2^+1.8526P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 2735 _refine_ls_number_parameters 302 _refine_ls_number_restraints 38 _refine_ls_R_factor_all 0.0753 _refine_ls_R_factor_gt 0.0707 _refine_ls_wR_factor_ref 0.2383 _refine_ls_wR_factor_gt 0.2303 _refine_ls_goodness_of_fit_ref 0.999 _refine_ls_restrained_S_all 1.146 _refine_ls_shift/su_max 2.220 _refine_ls_shift/su_mean 0.056 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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group S1 S -0.1220(4) 0.10724(11) 0.07583(9) 0.0329(5) Uani 1 d . . . S2 S 0.1814(4) -0.05822(12) 0.09104(9) 0.0334(5) Uani 1 d . . . O1 O -0.0827(13) 0.1454(3) 0.2140(3) 0.0423(13) Uani 1 d . . . O2 O 0.2145(13) -0.0170(4) 0.2287(3) 0.0450(13) Uani 1 d . . . C1 C 0.0104(15) 0.0104(4) 0.0356(3) 0.0273(14) Uani 1 d . . . C2 C -0.0216(16) 0.0850(4) 0.1607(4) 0.0310(15) Uani 1 d . . . C3 C 0.1218(16) 0.0100(5) 0.1667(4) 0.0337(16) Uani 1 d . . . C4 C 0.098(2) 0.1305(5) 0.2774(4) 0.048(2) Uani 1 d . . . H4A H 0.0108 0.1632 0.3175 0.058 Uiso 1 calc R . . H4B H 0.3326 0.1525 0.2762 0.058 Uiso 1 calc R . . C5 C 0.067(2) 0.0339(6) 0.2854(4) 0.052(2) Uani 1 d . . . H5A H 0.1788 0.0260 0.3299 0.062 Uiso 1 calc R . . H5B H -0.1674 0.0118 0.2859 0.062 Uiso 1 calc R . . S3 S 0.1719(4) 0.40851(11) -0.03631(9) 0.0332(5) Uani 1 d . . . S4 S 0.4693(4) 0.24152(11) -0.02319(9) 0.0327(5) Uani 1 d . . . S5 S 0.2309(5) 0.45580(12) 0.13055(10) 0.0358(5) Uani 1 d . . . S6 S 0.5344(5) 0.28959(12) 0.14378(10) 0.0356(5) Uani 1 d . . . O3 O 0.1213(13) 0.3661(3) -0.1756(3) 0.0417(13) Uani 1 d . . . O4 O 0.4108(13) 0.2033(3) -0.1626(3) 0.0424(13) Uani 1 d . . . O5 O 0.2832(15) 0.4933(4) 0.2692(3) 0.0538(15) Uani 1 d . . . O6 O 0.5798(15) 0.3310(4) 0.2822(3) 0.0547(15) Uani 1 d . . . C6 C 0.3389(15) 0.3383(4) 0.0173(4) 0.0287(15) Uani 1 d . . . C7 C 0.3648(16) 0.3584(4) 0.0891(4) 0.0314(15) Uani 1 d . . . C8 C 0.2196(16) 0.3396(4) -0.1133(4) 0.0336(16) Uani 1 d . . . C9 C 0.3603(16) 0.2638(4) -0.1077(4) 0.0324(16) Uani 1 d . . . C10 C 0.3433(18) 0.4334(5) 0.2145(4) 0.0409(18) Uani 1 d . . . C11 C 0.4842(18) 0.3574(5) 0.2203(4) 0.0403(18) Uani 1 d . . . C12 C 0.262(2) 0.3162(5) -0.2328(4) 0.049(2) Uani 1 d . . . H12A H 0.4974 0.3373 -0.2337 0.059 Uiso 1 calc R . . H12B H 0.1490 0.3248 -0.2768 0.059 Uiso 1 calc R . . C13 C 0.2252(19) 0.2194(5) -0.2248(4) 0.0452(19) Uani 1 d . . . H13A H -0.0097 0.1988 -0.2223 0.054 Uiso 1 calc R . . H13B H 0.3052 0.1861 -0.2654 0.054 Uiso 1 calc R . . C14 C 0.470(2) 0.4764(7) 0.3320(4) 0.064(3) Uani 1 d . . . H14A H 0.3869 0.5087 0.3727 0.077 Uiso 1 calc R . . H14B H 0.7041 0.4984 0.3300 0.077 Uiso 1 calc R . . C15 C 0.444(3) 0.3815(7) 0.3398(5) 0.067(3) Uani 1 d . . . H15A H 0.5630 0.3737 0.3834 0.080 Uiso 1 calc R . . H15B H 0.2101 0.3594 0.3421 0.080 Uiso 1 calc R . . Fe Fe 0.1391(12) 0.1810(6) 0.5253(2) 0.151(4) Uani 0.375 d PD . . C20 C -0.245(8) 0.159(3) 0.4570(19) 0.157(18) Uiso 0.375 d PD . . N20 N -0.431(7) 0.161(2) 0.4110(15) 0.106(10) Uiso 0.375 d PD . . C21 C -0.175(13) 0.187(4) 0.602(2) 0.34(5) Uiso 0.375 d PD . . N21 N -0.357(11) 0.161(3) 0.639(2) 0.197(19) Uiso 0.375 d PD . . C22 C 0.439(8) 0.180(2) 0.4489(17) 0.113(12) Uiso 0.375 d PD . . N22 N 0.673(9) 0.201(3) 0.418(2) 0.143(15) Uiso 0.375 d PD . . C23 C 0.514(11) 0.199(4) 0.594(2) 0.97(14) Uiso 0.375 d PD . . N23 N 0.698(10) 0.249(3) 0.633(2) 0.195(19) Uiso 0.375 d PD . . C24 C 0.127(12) 0.2910(16) 0.525(3) 0.28(4) Uiso 0.375 d PD . . N24 N 0.105(14) 0.3756(19) 0.520(3) 0.30(3) Uiso 0.375 d PD . . N25 N 0.085(13) 0.0758(16) 0.519(2) 0.28(3) Uiso 0.375 d PD . . O25 O 0.107(14) -0.0082(18) 0.510(3) 0.29(3) Uiso 0.375 d PD . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S1 0.0336(10) 0.0309(10) 0.0357(10) 0.0033(8) 0.0021(7) 0.0112(8) S2 0.0327(10) 0.0331(10) 0.0357(10) 0.0061(7) -0.0003(7) 0.0098(8) O1 0.051(3) 0.041(3) 0.035(3) -0.003(2) 0.006(2) 0.015(2) O2 0.048(3) 0.051(3) 0.039(3) 0.012(2) -0.001(2) 0.011(3) C1 0.019(3) 0.031(3) 0.033(3) 0.006(3) 0.001(3) 0.006(3) C2 0.027(3) 0.032(3) 0.035(4) 0.004(3) 0.005(3) 0.003(3) C3 0.029(4) 0.039(4) 0.032(4) 0.006(3) -0.002(3) 0.000(3) C4 0.052(5) 0.055(5) 0.036(4) -0.003(4) 0.005(4) 0.006(4) C5 0.046(5) 0.073(6) 0.037(4) 0.010(4) 0.002(4) 0.005(4) S3 0.0328(11) 0.0329(10) 0.0353(11) 0.0037(8) 0.0007(8) 0.0116(8) S4 0.0341(11) 0.0312(10) 0.0353(11) 0.0053(8) 0.0038(8) 0.0128(8) S5 0.0347(10) 0.0335(10) 0.0398(11) 0.0019(8) 0.0052(8) 0.0082(8) S6 0.0350(10) 0.0338(10) 0.0392(11) 0.0058(8) 0.0003(8) 0.0088(8) O3 0.043(3) 0.040(3) 0.043(3) 0.009(2) -0.001(2) 0.009(2) O4 0.048(3) 0.037(3) 0.044(3) 0.002(2) 0.007(2) 0.015(2) O5 0.061(4) 0.054(3) 0.045(3) -0.006(3) 0.008(3) 0.013(3) O6 0.063(4) 0.062(4) 0.041(3) 0.013(3) -0.006(3) 0.015(3) C6 0.022(3) 0.029(3) 0.036(4) 0.004(3) 0.002(3) 0.007(3) C7 0.024(3) 0.028(3) 0.042(4) 0.004(3) 0.003(3) 0.006(3) C8 0.028(4) 0.035(4) 0.038(4) 0.001(3) 0.001(3) 0.005(3) C9 0.029(4) 0.033(4) 0.034(4) 0.000(3) 0.005(3) 0.005(3) C10 0.039(4) 0.044(4) 0.039(4) 0.004(4) 0.007(3) 0.001(3) C11 0.036(4) 0.044(4) 0.042(4) 0.009(3) 0.000(3) 0.001(3) C12 0.046(5) 0.060(5) 0.043(5) 0.007(4) -0.003(4) 0.006(4) C13 0.041(4) 0.055(5) 0.039(4) 0.002(4) 0.004(3) 0.006(4) C14 0.068(6) 0.087(7) 0.033(5) -0.009(4) 0.001(4) 0.005(5) C15 0.064(6) 0.097(8) 0.041(5) 0.012(5) 0.002(4) 0.015(5) Fe 0.077(3) 0.337(12) 0.038(2) 0.010(4) 0.007(2) 0.041(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag S1 C1 1.733(7) . ? S1 C2 1.744(7) . ? S1 C3 2.642(7) . ? S1 O1 2.646(5) . ? S1 C1 2.714(7) 2 ? S1 S2 2.958(3) . ? S1 S2 3.199(2) 2 ? S1 S6 3.391(2) 1_455 ? S1 S4 3.443(2) 1_455 ? S1 S2 3.621(3) 1_455 ? S1 C1 3.648(6) 1_455 ? S1 S6 3.690(2) . ? S1 S4 3.734(2) . ? S2 C3 1.729(7) . ? S2 C1 1.748(6) . ? S2 C2 2.652(7) . ? S2 O2 2.642(6) . ? S2 C1 2.723(7) 2 ? S2 S1 3.199(2) 2 ? S2 O4 3.280(5) 2_655 ? S2 S4 3.414(2) 2_655 ? S2 O4 3.535(5) 2 ? S2 S1 3.621(3) 1_655 ? S2 C1 3.649(6) 1_655 ? S2 S4 3.684(2) 2 ? S2 C9 3.687(7) 2 ? S2 C2 3.768(7) 1_655 ? O1 C2 1.345(8) . ? O1 C4 1.441(9) . ? O1 C3 2.400(9) . ? O1 C5 2.418(10) . ? O1 O2 2.901(7) . ? O1 S6 3.203(5) 1_455 ? O1 O6 3.420(7) 1_455 ? O1 C4 3.574(10) 1_455 ? O1 S6 3.578(5) . ? O1 O2 3.607(7) 1_455 ? O1 C3 3.629(8) 1_455 ? O1 O6 3.738(8) . ? O1 C11 3.744(9) . ? O2 C3 1.356(8) . ? O2 C5 1.452(9) . ? O2 C2 2.391(9) . ? O2 C4 2.434(10) . ? O2 C13 3.385(9) 2 ? O2 O4 3.496(7) 2_655 ? O2 C5 3.520(10) 1_655 ? O2 O1 3.607(7) 1_655 ? O2 N21 3.62(5) 2_556 ? O2 O4 3.646(7) 2 ? O2 C2 3.680(8) 1_655 ? C1 C1 1.363(13) 2 ? C1 C3 2.541(9) . ? C1 C2 2.553(9) . ? C1 S1 2.714(7) 2 ? C1 S2 2.723(7) 2 ? C1 S1 3.648(6) 1_655 ? C1 S2 3.649(6) 1_455 ? C2 C3 1.349(10) . ? C2 C4 2.279(10) . ? C2 C5 2.632(10) . ? C2 C3 3.530(10) 1_455 ? C2 O2 3.680(8) 1_455 ? C2 S6 3.705(7) . ? C2 S2 3.768(7) 1_455 ? C3 C5 2.297(10) . ? C3 C4 2.653(10) . ? C3 C2 3.530(10) 1_655 ? C3 O1 3.629(8) 1_655 ? C3 O4 3.696(8) 2 ? C4 C5 1.495(11) . ? C4 N20 3.07(2) 1_655 ? C4 N22 3.42(3) 1_455 ? C4 N22 3.46(5) . ? C4 O6 3.434(10) . ? C4 C22 3.47(4) . ? C4 N20 3.45(4) . ? C4 O1 3.574(10) 1_655 ? C4 C20 3.79(4) . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? C5 N20 3.34(3) 1_655 ? C5 O2 3.520(10) 1_455 ? C5 N20 3.72(3) . ? C5 N21 3.73(5) 2_556 ? C5 C22 3.76(4) . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? S3 C6 1.736(7) . ? S3 C8 1.743(7) . ? S3 C9 2.659(7) . ? S3 O3 2.673(6) . ? S3 C7 2.719(7) . ? S3 S4 2.960(2) . ? S3 S5 3.196(3) . ? S3 S5 3.392(3) 2_565 ? S3 S3 3.428(3) 2_565 ? S3 S4 3.644(2) 1_455 ? S3 C6 3.656(6) 1_455 ? S3 S5 3.705(3) 2_665 ? S3 S3 3.716(3) 2_665 ? S4 C6 1.730(6) . ? S4 C9 1.745(7) . ? S4 C8 2.650(7) . ? S4 O4 2.668(5) . ? S4 C7 2.712(7) . ? S4 S6 3.199(2) . ? S4 S2 3.414(2) 2_655 ? S4 S1 3.443(2) 1_655 ? S4 S3 3.644(2) 1_655 ? S4 C6 3.656(6) 1_655 ? S4 S2 3.684(2) 2 ? S5 C10 1.738(8) . ? S5 C7 1.751(7) . ? S5 C11 2.654(8) . ? S5 O5 2.653(6) . ? S5 C6 2.734(7) . ? S5 S6 2.962(2) . ? S5 O3 3.245(5) 2_565 ? S5 S3 3.392(3) 2_565 ? S5 O3 3.553(5) 2_665 ? S5 S6 3.620(3) 1_455 ? S5 C7 3.648(7) 1_455 ? S5 C8 3.693(7) 2_665 ? S5 S3 3.705(3) 2_665 ? S6 C11 1.729(8) . ? S6 C7 1.737(7) . ? S6 C10 2.648(8) . ? S6 O6 2.655(6) . ? S6 C6 2.730(7) . ? S6 O1 3.203(5) 1_655 ? S6 S1 3.391(2) 1_655 ? S6 S5 3.620(3) 1_655 ? S6 C7 3.648(7) 1_655 ? O3 C8 1.363(8) . ? O3 C12 1.438(9) . ? O3 C9 2.397(9) . ? O3 C13 2.410(9) . ? O3 O4 2.884(7) . ? O3 S5 3.245(5) 2_565 ? O3 O5 3.443(7) 2_565 ? O3 S5 3.553(5) 2_665 ? O3 C12 3.545(10) 1_455 ? O3 O4 3.627(7) 1_455 ? O3 C9 3.671(8) 1_455 ? O3 C10 3.732(9) 2_665 ? O3 O5 3.735(7) 2_665 ? O4 C9 1.355(8) . ? O4 C13 1.436(9) . ? O4 C8 2.399(8) . ? O4 C12 2.418(9) . ? O4 S2 3.280(5) 2_655 ? O4 O2 3.496(7) 2_655 ? O4 C13 3.548(9) 1_655 ? O4 S2 3.535(5) 2 ? O4 O3 3.627(7) 1_655 ? O4 O2 3.646(7) 2 ? O4 C8 3.684(8) 1_655 ? O4 C3 3.696(8) 2 ? O5 C10 1.358(9) . ? O5 C14 1.453(10) . ? O5 C11 2.410(9) . ? O5 C15 2.425(12) . ? O5 O6 2.893(8) . ? O5 O3 3.443(7) 2_565 ? O5 C12 3.439(10) 2_665 ? O5 C14 3.547(12) 1_455 ? O5 O6 3.602(8) 1_455 ? O5 C11 3.649(9) 1_455 ? O5 O3 3.735(7) 2_665 ? O6 C11 1.352(9) . ? O6 C15 1.441(11) . ? O6 C10 2.393(10) . ? O6 C14 2.403(11) . ? O6 O1 3.420(7) 1_655 ? O6 N22 3.50(4) . ? O6 C15 3.564(12) 1_655 ? O6 O5 3.602(8) 1_655 ? O6 C10 3.678(9) 1_655 ? C6 C7 1.375(10) . ? C6 C8 2.538(9) . ? C6 C9 2.544(9) . ? C6 S3 3.656(6) 1_655 ? C6 S4 3.656(6) 1_455 ? C7 C10 2.553(10) . ? C7 C11 2.547(10) . ? C7 S5 3.648(7) 1_655 ? C7 S6 3.648(7) 1_455 ? C8 C9 1.354(10) . ? C8 C12 2.303(10) . ? C8 C13 2.651(10) . ? C8 C9 3.542(9) 1_455 ? C8 O4 3.684(8) 1_455 ? C8 S5 3.693(7) 2_665 ? C9 C13 2.291(10) . ? C9 C12 2.650(10) . ? C9 C8 3.542(9) 1_655 ? C9 O3 3.671(8) 1_655 ? C9 S2 3.687(7) 2 ? C10 C11 1.359(10) . ? C10 C14 2.291(11) . ? C10 C15 2.654(12) . ? C10 C11 3.542(10) 1_455 ? C10 O6 3.678(9) 1_455 ? C10 O3 3.732(9) 2_665 ? C11 C15 2.304(11) . ? C11 C14 2.647(11) . ? C11 C10 3.542(10) 1_655 ? C11 O5 3.649(9) 1_655 ? C12 C13 1.497(10) . ? C12 N23 3.33(3) 1_454 ? C12 N23 3.33(5) 1_554 ? C12 O5 3.439(10) 2_665 ? C12 O3 3.545(10) 1_655 ? C12 N21 3.71(4) 1_654 ? C12 C21 3.76(5) 1_554 ? C12 N21 3.81(5) 1_554 ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 N21 3.27(3) 1_654 ? C13 N21 3.38(5) 1_554 ? C13 O2 3.385(9) 2 ? C13 N23 3.48(3) 1_454 ? C13 N23 3.48(5) 1_554 ? C13 O4 3.548(9) 1_455 ? C13 C21 3.57(6) 1_554 ? C13 C23 3.73(6) 1_554 ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 C15 1.467(12) . ? C14 O5 3.547(12) 1_655 ? C14 N24 3.63(5) 2_666 ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 N22 3.48(4) . ? C15 O6 3.564(12) 1_455 ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? Fe N25 1.59(2) . ? Fe C24 1.69(2) . ? Fe C23 1.92(3) . ? Fe C20 1.94(2) . ? Fe C22 1.95(2) . ? Fe C21 2.01(2) . ? Fe O25 2.71(4) 2_556 ? Fe N22 2.77(4) 1_455 ? Fe N20 2.88(3) 1_655 ? Fe O25 2.86(3) . ? Fe N23 2.97(5) 1_455 ? Fe C20 2.90(4) 1_655 ? Fe N24 3.00(3) . ? Fe C23 2.93(6) 1_455 ? Fe N21 2.97(6) 1_655 ? C20 N22 1.11(5) 1_455 ? C20 N20 1.13(3) . ? C20 C22 1.35(4) 1_455 ? C20 N25 2.31(6) . ? C20 C24 2.55(3) . ? C20 O25 2.56(6) 2_556 ? C20 C22 2.75(3) . ? C20 C21 2.78(3) . ? C20 Fe 2.90(4) 1_455 ? C20 C23 2.88(8) 1_455 ? C20 N25 3.22(6) 1_455 ? C20 O25 3.28(6) . ? C20 N20 3.44(5) 1_655 ? C20 N24 3.50(6) . ? N20 N22 0.71(4) 1_455 ? N20 C22 0.96(4) 1_455 ? N20 Fe 2.88(3) 1_455 ? N20 C4 3.07(2) 1_455 ? N20 N25 3.23(6) 1_455 ? N20 O25 3.27(5) 2_556 ? N20 N25 3.33(6) . ? N20 C5 3.34(3) 1_455 ? N20 C24 3.35(6) . ? N20 C20 3.44(5) 1_455 ? N20 C24 3.47(5) 1_455 ? N20 C23 3.52(6) 1_455 ? C21 N23 1.23(6) 1_455 ? C21 N21 1.12(3) . ? C21 C23 1.29(4) 1_455 ? C21 N25 2.54(3) . ? C21 C24 2.57(3) . ? C21 C23 2.78(3) . ? C21 Fe 3.05(6) 1_455 ? C21 C22 3.25(8) 1_455 ? C21 O25 3.32(7) 2_556 ? C21 N21 3.40(8) 1_655 ? C21 N24 3.56(6) . ? C21 N25 3.47(7) 1_455 ? C21 N22 3.60(6) 1_455 ? N21 C23 1.22(7) 1_455 ? N21 N23 1.36(5) 1_455 ? N21 Fe 2.97(6) 1_455 ? N21 N25 3.22(6) . ? N21 N25 3.18(7) 1_455 ? N21 C13 3.27(3) 1_456 ? N21 C13 3.38(5) 1_556 ? N21 C21 3.40(8) 1_455 ? N21 C23 3.66(7) . ? N21 O2 3.62(5) 2_556 ? N21 C24 3.65(5) . ? N21 C12 3.71(4) 1_456 ? C22 N20 0.96(4) 1_655 ? C22 N22 1.18(3) . ? C22 C20 1.35(3) 1_655 ? C22 N25 2.58(3) . ? C22 C24 2.58(3) . ? C22 C23 2.77(3) . ? C22 Fe 3.10(4) 1_655 ? C22 C21 3.25(8) 1_655 ? C22 N22 3.16(5) 1_455 ? C22 C24 3.26(6) 1_655 ? C22 O25 3.40(5) . ? C22 N25 3.48(7) 1_655 ? C22 O25 3.44(5) 2_556 ? N22 N20 0.71(4) 1_655 ? N22 C20 1.11(5) 1_655 ? N22 Fe 2.77(4) 1_655 ? N22 C24 2.79(7) 1_655 ? N22 C22 3.16(5) 1_655 ? N22 N25 3.38(6) 1_655 ? N22 C24 3.37(5) . ? N22 C4 3.42(3) 1_655 ? N22 N24 3.37(6) 1_655 ? N22 C23 3.48(7) . ? C23 N23 1.17(3) . ? C23 N21 1.22(7) 1_655 ? C23 C21 1.29(4) 1_655 ? C23 C24 2.62(3) . ? C23 N25 2.64(3) . ? C23 C20 2.88(8) 1_655 ? C23 Fe 2.93(6) 1_655 ? C23 C24 3.15(7) 1_655 ? C23 N25 3.39(7) 1_655 ? C23 N23 3.55(7) 1_455 ? C23 N20 3.52(6) 1_655 ? N23 C21 1.23(6) 1_655 ? N23 N21 1.36(5) 1_655 ? N23 Fe 2.97(5) 1_655 ? N23 C24 2.87(7) 1_655 ? N23 C24 3.18(6) . ? N23 C12 3.33(3) 1_656 ? N23 C12 3.33(5) 1_556 ? N23 C13 3.48(3) 1_656 ? N23 C23 3.55(7) 1_655 ? N23 N24 3.44(7) 1_655 ? N23 C20 3.53(6) 1_655 ? N23 C13 3.48(5) 1_556 ? C24 N24 1.32(3) . ? C24 N22 2.79(7) 1_455 ? C24 N23 2.87(7) 1_455 ? C24 C23 3.15(7) 1_455 ? C24 N25 3.26(2) . ? C24 C22 3.26(6) 1_455 ? C24 N20 3.47(5) 1_655 ? N24 N22 3.37(6) 1_455 ? N24 N23 3.44(7) 1_455 ? N24 C14 3.63(5) 2_666 ? N25 O25 1.27(6) 2_556 ? N25 O25 1.29(3) . ? N25 N25 2.36(5) 2_556 ? N25 N20 3.23(6) 1_655 ? N25 N21 3.18(7) 1_655 ? N25 C20 3.22(6) 1_655 ? N25 N22 3.38(6) 1_455 ? O25 O25 0.99(10) 2_556 ? O25 N25 1.27(6) 2_556 ? O25 C20 2.56(6) 2_556 ? O25 Fe 2.71(4) 2_556 ? O25 O25 3.19(11) 2_656 ? O25 N20 3.27(5) 2_556 ? O25 C22 3.44(5) 2_556 ? O25 C21 3.32(7) 2_556 ? O25 C22 3.49(5) 2_656 ? O25 N22 3.58(6) 2_656 ? 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 _geom_angle_publ_flag C1 S1 C2 94.5(3) . . ? C1 S1 C3 67.4(3) . . ? C2 S1 C3 27.2(3) . . ? C1 S1 O1 121.3(2) . . ? C2 S1 O1 26.8(2) . . ? C3 S1 O1 53.98(19) . . ? C1 S1 C1 25.2(3) . 2 ? C2 S1 C1 119.7(3) . 2 ? C3 S1 C1 92.6(2) . 2 ? O1 S1 C1 146.57(18) . 2 ? C1 S1 S2 32.0(2) . . ? C2 S1 S2 62.5(2) . . ? C3 S1 S2 35.39(16) . . ? O1 S1 S2 89.38(12) . . ? C1 S1 S2 57.20(14) 2 . ? C1 S1 S2 58.3(2) . 2 ? C2 S1 S2 152.8(2) . 2 ? C3 S1 S2 125.70(17) . 2 ? O1 S1 S2 178.88(13) . 2 ? C1 S1 S2 33.11(14) 2 2 ? S2 S1 S2 90.31(6) . 2 ? C1 S1 S6 173.5(2) . 1_455 ? C2 S1 S6 89.4(2) . 1_455 ? C3 S1 S6 116.49(17) . 1_455 ? O1 S1 S6 62.66(12) . 1_455 ? C1 S1 S6 150.43(15) 2 1_455 ? S2 S1 S6 151.64(8) . 1_455 ? S2 S1 S6 117.55(6) 2 1_455 ? C1 S1 S4 119.8(2) . 1_455 ? C2 S1 S4 145.0(2) . 1_455 ? C3 S1 S4 170.86(17) . 1_455 ? O1 S1 S4 118.47(12) . 1_455 ? C1 S1 S4 94.72(14) 2 1_455 ? S2 S1 S4 151.50(8) . 1_455 ? S2 S1 S4 61.73(5) 2 1_455 ? S6 S1 S4 55.82(5) 1_455 1_455 ? C1 S1 S2 77.1(2) . 1_455 ? C2 S1 S2 81.1(2) . 1_455 ? C3 S1 S2 76.78(15) . 1_455 ? O1 S1 S2 88.21(12) . 1_455 ? C1 S1 S2 82.44(14) 2 1_455 ? S2 S1 S2 74.69(6) . 1_455 ? S2 S1 S2 90.67(6) 2 1_455 ? S6 S1 S2 98.35(6) 1_455 1_455 ? S4 S1 S2 98.73(6) 1_455 1_455 ? C1 S1 C1 89.5(2) . 1_455 ? C2 S1 C1 104.9(2) . 1_455 ? C3 S1 C1 104.54(18) . 1_455 ? O1 S1 C1 103.00(16) . 1_455 ? C1 S1 C1 83.04(17) 2 1_455 ? S2 S1 C1 98.37(12) . 1_455 ? S2 S1 C1 75.98(11) 2 1_455 ? S6 S1 C1 84.42(11) 1_455 1_455 ? S4 S1 C1 70.99(11) 1_455 1_455 ? S2 S1 C1 27.82(10) 1_455 1_455 ? C1 S1 S6 116.9(2) . . ? C2 S1 S6 76.8(2) . . ? C3 S1 S6 88.91(15) . . ? O1 S1 S6 66.41(12) . . ? C1 S1 S6 119.62(14) 2 . ? S2 S1 S6 105.44(7) . . ? S2 S1 S6 114.71(6) 2 . ? S6 S1 S6 69.14(4) 1_455 . ? S4 S1 S6 92.24(5) 1_455 . ? S2 S1 S6 154.56(7) 1_455 . ? C1 S1 S6 153.53(11) 1_455 . ? C1 S1 S4 90.1(2) . . ? C2 S1 S4 122.7(2) . . ? C3 S1 S4 119.11(16) . . ? O1 S1 S4 117.46(13) . . ? C1 S1 S4 76.96(14) 2 . ? S2 S1 S4 105.93(7) . . ? S2 S1 S4 63.66(5) 2 . ? S6 S1 S4 92.19(5) 1_455 . ? S4 S1 S4 68.08(4) 1_455 . ? S2 S1 S4 154.22(7) 1_455 . ? C1 S1 S4 132.26(12) 1_455 . ? S6 S1 S4 51.05(4) . . ? C3 S2 C1 93.9(3) . . ? C3 S2 C2 26.6(3) . . ? C1 S2 C2 67.4(3) . . ? C3 S2 O2 27.1(3) . . ? C1 S2 O2 121.1(2) . . ? C2 S2 O2 53.7(2) . . ? C3 S2 C1 119.2(3) . 2 ? C1 S2 C1 25.2(3) . 2 ? C2 S2 C1 92.6(2) . 2 ? O2 S2 C1 146.26(19) . 2 ? C3 S2 S1 62.3(2) . . ? C1 S2 S1 31.7(2) . . ? C2 S2 S1 35.70(16) . . ? O2 S2 S1 89.38(13) . . ? C1 S2 S1 56.89(14) 2 . ? C3 S2 S1 152.0(2) . 2 ? C1 S2 S1 58.0(2) . 2 ? C2 S2 S1 125.37(16) . 2 ? O2 S2 S1 178.56(13) . 2 ? C1 S2 S1 32.80(14) 2 2 ? S1 S2 S1 89.69(6) . 2 ? C3 S2 O4 98.4(3) . 2_655 ? C1 S2 O4 166.6(2) . 2_655 ? C2 S2 O4 124.86(19) . 2_655 ? O2 S2 O4 71.45(15) . 2_655 ? C1 S2 O4 142.11(18) 2 2_655 ? S1 S2 O4 159.87(12) . 2_655 ? S1 S2 O4 109.59(11) 2 2_655 ? C3 S2 S4 145.3(2) . 2_655 ? C1 S2 S4 120.4(2) . 2_655 ? C2 S2 S4 171.06(17) . 2_655 ? O2 S2 S4 118.37(13) . 2_655 ? C1 S2 S4 95.31(15) 2 2_655 ? S1 S2 S4 151.80(8) . 2_655 ? S1 S2 S4 62.66(5) 2 2_655 ? O4 S2 S4 46.93(10) 2_655 2_655 ? C3 S2 O4 81.4(2) . 2 ? C1 S2 O4 115.0(2) . 2 ? C2 S2 O4 92.77(17) . 2 ? O2 S2 O4 70.68(15) . 2 ? C1 S2 O4 115.77(16) 2 2 ? S1 S2 O4 107.76(10) . 2 ? S1 S2 O4 108.57(10) 2 2 ? O4 S2 O4 72.30(11) 2_655 2 ? S4 S2 O4 87.60(9) 2_655 2 ? C3 S2 S1 84.1(2) . 1_655 ? C1 S2 S1 77.0(2) . 1_655 ? C2 S2 S1 78.89(14) . 1_655 ? O2 S2 S1 91.49(13) . 1_655 ? C1 S2 S1 81.04(14) 2 1_655 ? S1 S2 S1 74.69(6) . 1_655 ? S1 S2 S1 89.33(6) 2 1_655 ? O4 S2 S1 99.09(11) 2_655 1_655 ? S4 S2 S1 98.18(6) 2_655 1_655 ? O4 S2 S1 161.80(11) 2 1_655 ? C3 S2 C1 108.0(3) . 1_655 ? C1 S2 C1 89.2(2) . 1_655 ? C2 S2 C1 106.42(18) . 1_655 ? O2 S2 C1 106.35(16) . 1_655 ? C1 S2 C1 81.66(17) 2 1_655 ? S1 S2 C1 98.10(12) . 1_655 ? S1 S2 C1 74.88(11) 2 1_655 ? O4 S2 C1 82.05(14) 2_655 1_655 ? S4 S2 C1 70.70(11) 2_655 1_655 ? O4 S2 C1 153.82(14) 2 1_655 ? S1 S2 C1 27.58(10) 1_655 1_655 ? C3 S2 S4 119.3(2) . 2 ? C1 S2 S4 90.5(2) . 2 ? C2 S2 S4 116.93(15) . 2 ? O2 S2 S4 113.96(13) . 2 ? C1 S2 S4 78.47(14) 2 2 ? S1 S2 S4 105.87(7) . 2 ? S1 S2 S4 65.26(5) 2 2 ? O4 S2 S4 88.04(10) 2_655 2 ? S4 S2 S4 68.97(4) 2_655 2 ? O4 S2 S4 43.32(9) 2 2 ? S1 S2 S4 154.49(7) 1_655 2 ? C1 S2 S4 132.68(12) 1_655 2 ? C3 S2 C9 102.8(3) . 2 ? C1 S2 C9 114.6(2) . 2 ? C2 S2 C9 112.94(18) . 2 ? O2 S2 C9 89.47(16) . 2 ? C1 S2 C9 105.77(17) 2 2 ? S1 S2 C9 119.73(12) . 2 ? S1 S2 C9 90.03(12) 2 2 ? O4 S2 C9 67.61(14) 2_655 2 ? S4 S2 C9 68.85(11) 2_655 2 ? O4 S2 C9 21.49(13) 2 2 ? S1 S2 C9 165.56(12) 1_655 2 ? C1 S2 C9 139.35(15) 1_655 2 ? S4 S2 C9 27.38(11) 2 2 ? C3 S2 C2 68.7(2) . 1_655 ? C1 S2 C2 100.4(2) . 1_655 ? C2 S2 C2 75.43(16) . 1_655 ? O2 S2 C2 67.46(16) . 1_655 ? C1 S2 C2 108.11(17) 2 1_655 ? S1 S2 C2 87.69(11) . 1_655 ? S1 S2 C2 113.61(12) 2 1_655 ? O4 S2 C2 79.45(14) 2_655 1_655 ? S4 S2 C2 98.05(11) 2_655 1_655 ? O4 S2 C2 135.02(15) 2 1_655 ? S1 S2 C2 27.21(11) 1_655 1_655 ? C1 S2 C2 40.23(14) 1_655 1_655 ? S4 S2 C2 166.27(12) 2 1_655 ? C9 S2 C2 144.66(16) 2 1_655 ? C2 O1 C4 109.8(5) . . ? C2 O1 C3 27.1(4) . . ? C4 O1 C3 83.4(4) . . ? C2 O1 C5 83.6(4) . . ? C4 O1 C5 35.3(4) . . ? C3 O1 C5 57.0(3) . . ? C2 O1 S1 35.8(3) . . ? C4 O1 S1 143.4(4) . . ? C3 O1 S1 62.9(2) . . ? C5 O1 S1 119.1(3) . . ? C2 O1 O2 54.7(4) . . ? C4 O1 O2 56.9(4) . . ? C3 O1 O2 27.6(2) . . ? C5 O1 O2 30.0(2) . . ? S1 O1 O2 90.54(17) . . ? C2 O1 S6 105.8(4) . 1_455 ? C4 O1 S6 143.0(4) . 1_455 ? C3 O1 S6 132.8(3) . 1_455 ? C5 O1 S6 163.9(3) . 1_455 ? S1 O1 S6 70.12(13) . 1_455 ? O2 O1 S6 160.1(2) . 1_455 ? C2 O1 O6 152.8(4) . 1_455 ? C4 O1 O6 97.3(4) . 1_455 ? C3 O1 O6 176.5(3) . 1_455 ? C5 O1 O6 122.2(3) . 1_455 ? S1 O1 O6 117.23(19) . 1_455 ? O2 O1 O6 151.9(2) . 1_455 ? S6 O1 O6 47.12(12) 1_455 1_455 ? C2 O1 C4 118.2(4) . 1_455 ? C4 O1 C4 97.5(4) . 1_455 ? C3 O1 C4 117.8(3) . 1_455 ? C5 O1 C4 90.0(3) . 1_455 ? S1 O1 C4 110.2(2) . 1_455 ? O2 O1 C4 109.8(2) . 1_455 ? S6 O1 C4 74.05(17) 1_455 1_455 ? O6 O1 C4 58.76(18) 1_455 1_455 ? C2 O1 S6 84.7(4) . . ? C4 O1 S6 100.4(4) . . ? C3 O1 S6 95.5(2) . . ? C5 O1 S6 122.1(3) . . ? S1 O1 S6 70.92(13) . . ? O2 O1 S6 106.41(18) . . ? S6 O1 S6 72.58(11) 1_455 . ? O6 O1 S6 87.70(15) 1_455 . ? C4 O1 S6 143.7(2) 1_455 . ? C2 O1 O2 82.4(4) . 1_455 ? C4 O1 O2 95.2(4) . 1_455 ? C3 O1 O2 78.2(2) . 1_455 ? C5 O1 O2 68.2(2) . 1_455 ? S1 O1 O2 91.72(16) . 1_455 ? O2 O1 O2 75.54(16) . 1_455 ? S6 O1 O2 99.49(16) 1_455 1_455 ? O6 O1 O2 98.35(18) 1_455 1_455 ? C4 O1 O2 39.62(16) 1_455 1_455 ? S6 O1 O2 162.43(18) . 1_455 ? C2 O1 C3 75.1(4) . 1_455 ? C4 O1 C3 116.8(4) . 1_455 ? C3 O1 C3 81.0(2) . 1_455 ? C5 O1 C3 87.9(3) . 1_455 ? S1 O1 C3 73.81(17) . 1_455 ? O2 O1 C3 88.01(19) . 1_455 ? S6 O1 C3 82.06(16) 1_455 1_455 ? O6 O1 C3 95.68(19) 1_455 1_455 ? C4 O1 C3 43.22(18) 1_455 1_455 ? S6 O1 C3 141.77(19) . 1_455 ? O2 O1 C3 21.60(14) 1_455 1_455 ? C2 O1 O6 119.5(4) . . ? C4 O1 O6 66.7(4) . . ? C3 O1 O6 115.1(2) . . ? C5 O1 O6 100.0(3) . . ? S1 O1 O6 113.40(18) . . ? O2 O1 O6 105.81(19) . . ? S6 O1 O6 87.00(14) 1_455 . ? O6 O1 O6 68.26(13) 1_455 . ? C4 O1 O6 122.2(2) 1_455 . ? S6 O1 O6 42.48(11) . . ? O2 O1 O6 154.71(19) 1_455 . ? C3 O1 O6 163.9(2) 1_455 . ? C2 O1 C11 111.6(4) . . ? C4 O1 C11 87.4(4) . . ? C3 O1 C11 117.9(3) . . ? C5 O1 C11 119.5(3) . . ? S1 O1 C11 95.62(19) . . ? O2 O1 C11 118.6(2) . . ? S6 O1 C11 69.86(15) 1_455 . ? O6 O1 C11 65.59(18) 1_455 . ? C4 O1 C11 124.3(2) 1_455 . ? S6 O1 C11 27.20(13) . . ? O2 O1 C11 163.9(2) 1_455 . ? C3 O1 C11 151.9(2) 1_455 . ? O6 O1 C11 20.83(14) . . ? C3 O2 C5 109.7(6) . . ? C3 O2 C2 27.8(4) . . ? C5 O2 C2 82.6(4) . . ? C3 O2 C4 83.7(4) . . ? C5 O2 C4 34.9(4) . . ? C2 O2 C4 56.4(3) . . ? C3 O2 S2 35.5(3) . . ? C5 O2 S2 143.4(4) . . ? C2 O2 S2 63.4(2) . . ? C4 O2 S2 118.8(3) . . ? C3 O2 O1 55.2(4) . . ? C5 O2 O1 56.3(4) . . ? C2 O2 O1 27.3(2) . . ? C4 O2 O1 29.7(2) . . ? S2 O2 O1 90.70(17) . . ? C3 O2 C13 104.3(4) . 2 ? C5 O2 C13 101.2(4) . 2 ? C2 O2 C13 116.9(3) . 2 ? C4 O2 C13 131.6(3) . 2 ? S2 O2 C13 83.91(19) . 2 ? O1 O2 C13 124.5(2) . 2 ? C3 O2 O4 98.1(4) . 2_655 ? C5 O2 O4 150.7(4) . 2_655 ? C2 O2 O4 125.9(3) . 2_655 ? C4 O2 O4 165.5(3) . 2_655 ? S2 O2 O4 62.79(14) . 2_655 ? O1 O2 O4 152.8(2) . 2_655 ? C13 O2 O4 62.04(18) 2 2_655 ? C3 O2 C5 115.7(4) . 1_655 ? C5 O2 C5 99.6(4) . 1_655 ? C2 O2 C5 116.4(3) . 1_655 ? C4 O2 C5 91.0(3) . 1_655 ? S2 O2 C5 107.2(2) . 1_655 ? O1 O2 C5 109.8(2) . 1_655 ? C13 O2 C5 124.5(2) 2 1_655 ? O4 O2 C5 75.24(19) 2_655 1_655 ? C3 O2 O1 80.1(4) . 1_655 ? C5 O2 O1 96.8(4) . 1_655 ? C2 O2 O1 76.8(2) . 1_655 ? C4 O2 O1 69.5(2) . 1_655 ? S2 O2 O1 88.56(16) . 1_655 ? O1 O2 O1 75.54(16) . 1_655 ? C13 O2 O1 158.5(2) 2 1_655 ? O4 O2 O1 96.63(16) 2_655 1_655 ? C5 O2 O1 39.64(17) 1_655 1_655 ? C3 O2 N21 160.5(9) . 2_556 ? C5 O2 N21 82.9(7) . 2_556 ? C2 O2 N21 163.0(7) . 2_556 ? C4 O2 N21 113.3(7) . 2_556 ? S2 O2 N21 127.6(7) . 2_556 ? O1 O2 N21 139.2(6) . 2_556 ? C13 O2 N21 57.6(8) 2 2_556 ? O4 O2 N21 67.9(6) 2_655 2_556 ? C5 O2 N21 74.9(7) 1_655 2_556 ? O1 O2 N21 113.9(7) 1_655 2_556 ? C3 O2 O4 81.4(4) . 2 ? C5 O2 O4 106.1(4) . 2 ? C2 O2 O4 94.7(2) . 2 ? C4 O2 O4 125.8(3) . 2 ? S2 O2 O4 66.18(14) . 2 ? O1 O2 O4 107.73(19) . 2 ? C13 O2 O4 23.18(15) 2 2 ? O4 O2 O4 68.57(12) 2_655 2 ? C5 O2 O4 141.9(2) 1_655 2 ? O1 O2 O4 154.34(19) 1_655 2 ? N21 O2 O4 80.8(8) 2_556 2 ? C3 O2 C2 73.0(4) . 1_655 ? C5 O2 C2 118.0(4) . 1_655 ? C2 O2 C2 80.0(2) . 1_655 ? C4 O2 C2 88.9(3) . 1_655 ? S2 O2 C2 71.01(16) . 1_655 ? O1 O2 C2 88.07(19) . 1_655 ? C13 O2 C2 139.4(2) 2 1_655 ? O4 O2 C2 78.03(17) 2_655 1_655 ? C5 O2 C2 42.81(18) 1_655 1_655 ? O1 O2 C2 21.24(13) 1_655 1_655 ? N21 O2 C2 114.9(7) 2_556 1_655 ? O4 O2 C2 134.1(2) 2 1_655 ? C1 C1 S1 122.0(7) 2 . ? C1 C1 S2 121.7(7) 2 . ? S1 C1 S2 116.3(4) . . ? C1 C1 C3 164.4(7) 2 . ? S1 C1 C3 73.6(3) . . ? S2 C1 C3 42.7(2) . . ? C1 C1 C2 164.9(7) 2 . ? S1 C1 C2 42.9(2) . . ? S2 C1 C2 73.5(3) . . ? C3 C1 C2 30.7(2) . . ? C1 C1 S1 32.8(4) 2 2 ? S1 C1 S1 154.8(3) . 2 ? S2 C1 S1 88.9(3) . 2 ? C3 C1 S1 131.6(3) . 2 ? C2 C1 S1 162.3(3) . 2 ? C1 C1 S2 33.1(4) 2 2 ? S1 C1 S2 88.9(3) . 2 ? S2 C1 S2 154.8(3) . 2 ? C3 C1 S2 162.5(3) . 2 ? C2 C1 S2 131.8(3) . 2 ? S1 C1 S2 65.91(16) 2 2 ? C1 C1 S1 103.3(5) 2 1_655 ? S1 C1 S1 89.5(2) . 1_655 ? S2 C1 S1 75.2(2) . 1_655 ? C3 C1 S1 74.5(2) . 1_655 ? C2 C1 S1 79.5(2) . 1_655 ? S1 C1 S1 96.96(17) 2 1_655 ? S2 C1 S1 106.20(19) 2 1_655 ? C1 C1 S2 105.8(5) 2 1_455 ? S1 C1 S2 75.3(2) . 1_455 ? S2 C1 S2 89.2(2) . 1_455 ? C3 C1 S2 77.4(2) . 1_455 ? C2 C1 S2 72.4(2) . 1_455 ? S1 C1 S2 107.40(19) 2 1_455 ? S2 C1 S2 98.34(17) 2 1_455 ? S1 C1 S2 150.9(2) 1_655 1_455 ? C3 C2 O1 125.9(7) . . ? C3 C2 S1 116.7(6) . . ? O1 C2 S1 117.3(5) . . ? C3 C2 C4 90.2(5) . . ? O1 C2 C4 36.5(4) . . ? S1 C2 C4 151.1(4) . . ? C3 C2 O2 28.0(4) . . ? O1 C2 O2 98.0(4) . . ? S1 C2 O2 144.7(4) . . ? C4 C2 O2 62.8(3) . . ? C3 C2 C1 74.1(4) . . ? O1 C2 C1 159.9(5) . . ? S1 C2 C1 42.6(2) . . ? C4 C2 C1 161.9(4) . . ? O2 C2 C1 102.1(3) . . ? C3 C2 C5 60.7(5) . . ? O1 C2 C5 65.9(4) . . ? S1 C2 C5 172.5(4) . . ? C4 C2 C5 34.5(3) . . ? O2 C2 C5 33.2(2) . . ? C1 C2 C5 134.0(4) . . ? C3 C2 S2 35.0(4) . . ? O1 C2 S2 160.9(5) . . ? S1 C2 S2 81.8(3) . . ? C4 C2 S2 124.7(3) . . ? O2 C2 S2 62.9(2) . . ? C1 C2 S2 39.18(17) . . ? C5 C2 S2 95.3(3) . . ? C3 C2 C3 101.6(5) . 1_455 ? O1 C2 C3 83.4(4) . 1_455 ? S1 C2 C3 86.8(3) . 1_455 ? C4 C2 C3 98.2(3) . 1_455 ? O2 C2 C3 99.1(3) . 1_455 ? C1 C2 C3 93.9(3) . 1_455 ? C5 C2 C3 86.9(3) . 1_455 ? S2 C2 C3 99.8(2) . 1_455 ? C3 C2 O2 89.2(4) . 1_455 ? O1 C2 O2 76.3(4) . 1_455 ? S1 C2 O2 108.2(3) . 1_455 ? C4 C2 O2 80.7(3) . 1_455 ? O2 C2 O2 80.0(2) . 1_455 ? C1 C2 O2 107.5(3) . 1_455 ? C5 C2 O2 65.3(2) . 1_455 ? S2 C2 O2 99.6(2) . 1_455 ? C3 C2 O2 21.55(14) 1_455 1_455 ? C3 C2 S6 117.9(4) . . ? O1 C2 S6 74.1(4) . . ? S1 C2 S6 75.9(2) . . ? C4 C2 S6 82.6(3) . . ? O2 C2 S6 115.6(3) . . ? C1 C2 S6 96.5(2) . . ? C5 C2 S6 111.7(3) . . ? S2 C2 S6 112.2(2) . . ? C3 C2 S6 140.5(2) 1_455 . ? O2 C2 S6 148.1(2) 1_455 . ? C3 C2 S2 88.3(4) . 1_455 ? O1 C2 S2 110.3(4) . 1_455 ? S1 C2 S2 71.7(2) . 1_455 ? C4 C2 S2 122.2(3) . 1_455 ? O2 C2 S2 98.3(2) . 1_455 ? C1 C2 S2 67.4(2) . 1_455 ? C5 C2 S2 100.9(3) . 1_455 ? S2 C2 S2 75.43(16) . 1_455 ? C3 C2 S2 27.15(13) 1_455 1_455 ? O2 C2 S2 41.53(11) 1_455 1_455 ? S6 C2 S2 145.2(2) . 1_455 ? C2 C3 O2 124.2(7) . . ? C2 C3 S2 118.5(6) . . ? O2 C3 S2 117.4(5) . . ? C2 C3 C5 88.4(5) . . ? O2 C3 C5 36.5(4) . . ? S2 C3 C5 151.5(4) . . ? C2 C3 O1 27.0(4) . . ? O2 C3 O1 97.2(5) . . ? S2 C3 O1 145.4(4) . . ? C5 C3 O1 61.9(3) . . ? C2 C3 C1 75.1(5) . . ? O2 C3 C1 160.6(5) . . ? S2 C3 C1 43.3(2) . . ? C5 C3 C1 161.0(4) . . ? O1 C3 C1 102.1(3) . . ? C2 C3 S1 36.1(4) . . ? O2 C3 S1 160.3(5) . . ? S2 C3 S1 82.3(3) . . ? C5 C3 S1 124.2(4) . . ? O1 C3 S1 63.1(2) . . ? C1 C3 S1 39.02(18) . . ? C2 C3 C4 59.2(5) . . ? O2 C3 C4 65.8(4) . . ? S2 C3 C4 171.9(4) . . ? C5 C3 C4 34.2(3) . . ? O1 C3 C4 32.6(2) . . ? C1 C3 C4 133.5(4) . . ? S1 C3 C4 94.8(3) . . ? C2 C3 C2 101.6(5) . 1_655 ? O2 C3 C2 85.5(4) . 1_655 ? S2 C3 C2 84.1(3) . 1_655 ? C5 C3 C2 100.4(3) . 1_655 ? O1 C3 C2 100.3(3) . 1_655 ? C1 C3 C2 92.3(3) . 1_655 ? S1 C3 C2 98.0(2) . 1_655 ? C4 C3 C2 88.8(3) . 1_655 ? C2 C3 O1 88.8(4) . 1_655 ? O2 C3 O1 78.3(4) . 1_655 ? S2 C3 O1 105.5(3) . 1_655 ? C5 C3 O1 82.8(3) . 1_655 ? O1 C3 O1 81.0(2) . 1_655 ? C1 C3 O1 105.8(3) . 1_655 ? S1 C3 O1 97.9(2) . 1_655 ? C4 C3 O1 67.3(2) . 1_655 ? C2 C3 O1 21.60(14) 1_655 1_655 ? C2 C3 O4 119.8(5) . 2 ? O2 C3 O4 77.3(4) . 2 ? S2 C3 O4 71.0(2) . 2 ? C5 C3 O4 88.0(3) . 2 ? O1 C3 O4 119.5(3) . 2 ? C1 C3 O4 92.0(2) . 2 ? S1 C3 O4 111.0(2) . 2 ? C4 C3 O4 117.0(3) . 2 ? C2 C3 O4 138.1(3) 1_655 2 ? O1 C3 O4 149.8(2) 1_655 2 ? O1 C4 C5 110.9(6) . . ? O1 C4 C2 33.7(3) . . ? C5 C4 C2 85.8(5) . . ? O1 C4 O2 93.4(4) . . ? C5 C4 O2 33.8(4) . . ? C2 C4 O2 60.8(3) . . ? O1 C4 C3 64.0(4) . . ? C5 C4 C3 59.8(4) . . ? C2 C4 C3 30.6(2) . . ? O2 C4 C3 30.5(2) . . ? O1 C4 N20 161.8(8) . 1_655 ? C5 C4 N20 87.0(8) . 1_655 ? C2 C4 N20 152.5(7) . 1_655 ? O2 C4 N20 100.3(7) . 1_655 ? C3 C4 N20 126.8(7) . 1_655 ? O1 C4 N22 109.2(8) . 1_455 ? C5 C4 N22 98.0(8) . 1_455 ? C2 C4 N22 137.2(8) . 1_455 ? O2 C4 N22 131.7(7) . 1_455 ? C3 C4 N22 147.1(7) . 1_455 ? N20 C4 N22 70.1(10) 1_655 1_455 ? O1 C4 N22 151.4(8) . . ? C5 C4 N22 96.9(8) . . ? C2 C4 N22 150.5(6) . . ? O2 C4 N22 107.2(7) . . ? C3 C4 N22 130.6(7) . . ? N20 C4 N22 10.4(9) 1_655 . ? N22 C4 N22 71.7(8) 1_455 . ? O1 C4 O6 90.6(4) . . ? C5 C4 O6 150.3(6) . . ? C2 C4 O6 103.8(3) . . ? O2 C4 O6 129.2(3) . . ? C3 C4 O6 117.8(3) . . ? N20 C4 O6 71.4(7) 1_655 . ? N22 C4 O6 93.6(7) 1_455 . ? N22 C4 O6 61.0(6) . . ? O1 C4 C22 156.7(8) . . ? C5 C4 C22 89.5(8) . . ? C2 C4 C22 167.7(6) . . ? O2 C4 C22 109.9(7) . . ? C3 C4 C22 139.1(7) . . ? N20 C4 C22 15.4(8) 1_655 . ? N22 C4 C22 54.7(9) 1_455 . ? N22 C4 C22 19.6(4) . . ? O6 C4 C22 75.1(6) . . ? O1 C4 N20 106.9(6) . . ? C5 C4 N20 88.3(7) . . ? C2 C4 N20 130.1(5) . . ? O2 C4 N20 121.5(7) . . ? C3 C4 N20 135.4(6) . . ? N20 C4 N20 76.1(7) 1_655 . ? N22 C4 N20 11.8(7) 1_455 . ? N22 C4 N20 79.4(6) . . ? O6 C4 N20 105.3(6) . . ? C22 C4 N20 61.0(6) . . ? O1 C4 O1 97.5(4) . 1_655 ? C5 C4 O1 97.3(5) . 1_655 ? C2 C4 O1 78.7(3) . 1_655 ? O2 C4 O1 70.9(2) . 1_655 ? C3 C4 O1 69.5(2) . 1_655 ? N20 C4 O1 76.0(7) 1_655 1_655 ? N22 C4 O1 141.7(7) 1_455 1_655 ? N22 C4 O1 71.7(5) . 1_655 ? O6 C4 O1 58.38(18) . 1_655 ? C22 C4 O1 90.6(5) . 1_655 ? N20 C4 O1 151.1(5) . 1_655 ? O1 C4 C20 123.8(7) . . ? C5 C4 C20 84.8(8) . . ? C2 C4 C20 146.0(5) . . ? O2 C4 C20 118.3(8) . . ? C3 C4 C20 141.5(7) . . ? N20 C4 C20 59.1(8) 1_655 . ? N22 C4 C20 16.7(8) 1_455 . ? N22 C4 C20 63.3(5) . . ? O6 C4 C20 100.4(7) . . ? C22 C4 C20 44.3(4) . . ? N20 C4 C20 17.2(5) . . ? O1 C4 C20 134.9(5) 1_655 . ? O1 C4 H4A 109.5 . . ? C5 C4 H4A 109.5 . . ? C2 C4 H4A 141.6 . . ? O2 C4 H4A 143.1 . . ? C3 C4 H4A 159.6 . . ? N20 C4 H4A 65.5 1_655 . ? N22 C4 H4A 13.1 1_455 . ? N22 C4 H4A 64.8 . . ? O6 C4 H4A 80.5 . . ? C22 C4 H4A 50.7 . . ? N20 C4 H4A 24.9 . . ? O1 C4 H4A 130.8 1_655 . ? C20 C4 H4A 24.9 . . ? O1 C4 H4B 109.5 . . ? C5 C4 H4B 109.4 . . ? C2 C4 H4B 98.9 . . ? O2 C4 H4B 90.0 . . ? C3 C4 H4B 92.3 . . ? N20 C4 H4B 59.0 1_655 . ? N22 C4 H4B 119.2 1_455 . ? N22 C4 H4B 52.4 . . ? O6 C4 H4B 41.8 . . ? C22 C4 H4B 72.0 . . ? N20 C4 H4B 129.5 . . ? O1 C4 H4B 22.8 1_655 . ? C20 C4 H4B 115.1 . . ? H4A C4 H4B 108.0 . . ? O2 C5 C4 111.4(6) . . ? O2 C5 C3 33.7(3) . . ? C4 C5 C3 86.0(5) . . ? O2 C5 O1 93.7(4) . . ? C4 C5 O1 33.8(4) . . ? C3 C5 O1 61.1(3) . . ? O2 C5 C2 64.2(4) . . ? C4 C5 C2 59.7(4) . . ? C3 C5 C2 30.8(2) . . ? O1 C5 C2 30.5(2) . . ? O2 C5 N20 119.3(7) . 1_655 ? C4 C5 N20 66.5(7) . 1_655 ? C3 C5 N20 129.5(7) . 1_655 ? O1 C5 N20 100.2(6) . 1_655 ? C2 C5 N20 120.5(7) . 1_655 ? O2 C5 O2 99.6(4) . 1_455 ? C4 C5 O2 97.7(5) . 1_455 ? C3 C5 O2 81.3(3) . 1_455 ? O1 C5 O2 72.1(2) . 1_455 ? C2 C5 O2 71.8(2) . 1_455 ? N20 C5 O2 141.0(6) 1_655 1_455 ? O2 C5 N20 170.8(6) . . ? C4 C5 N20 68.0(7) . . ? C3 C5 N20 138.9(5) . . ? O1 C5 N20 81.0(5) . . ? C2 C5 N20 109.3(5) . . ? N20 C5 N20 69.3(6) 1_655 . ? O2 C5 N20 71.7(4) 1_455 . ? O2 C5 N21 74.4(7) . 2_556 ? C4 C5 N21 152.1(9) . 2_556 ? C3 C5 N21 107.0(7) . 2_556 ? O1 C5 N21 168.0(6) . 2_556 ? C2 C5 N21 137.7(7) . 2_556 ? N20 C5 N21 86.7(10) 1_655 2_556 ? O2 C5 N21 108.5(7) 1_455 2_556 ? N20 C5 N21 110.7(7) . 2_556 ? O2 C5 C22 132.8(6) . . ? C4 C5 C22 67.1(7) . . ? C3 C5 C22 141.4(5) . . ? O1 C5 C22 100.3(6) . . ? C2 C5 C22 125.7(6) . . ? N20 C5 C22 13.9(7) 1_655 . ? O2 C5 C22 127.6(5) 1_455 . ? N20 C5 C22 55.9(6) . . ? N21 C5 C22 88.8(10) 2_556 . ? O2 C5 H5A 109.4 . . ? C4 C5 H5A 109.3 . . ? C3 C5 H5A 141.4 . . ? O1 C5 H5A 143.0 . . ? C2 C5 H5A 159.4 . . ? N20 C5 H5A 43.4 1_655 . ? O2 C5 H5A 128.6 1_455 . ? N20 C5 H5A 79.0 . . ? N21 C5 H5A 45.9 2_556 . ? C22 C5 H5A 42.9 . . ? O2 C5 H5B 109.4 . . ? C4 C5 H5B 109.4 . . ? C3 C5 H5B 99.0 . . ? O1 C5 H5B 90.0 . . ? C2 C5 H5B 92.5 . . ? N20 C5 H5B 129.2 1_655 . ? O2 C5 H5B 20.6 1_455 . ? N20 C5 H5B 63.4 . . ? N21 C5 H5B 93.2 2_556 . ? C22 C5 H5B 115.4 . . ? H5A C5 H5B 108.0 . . ? C6 S3 C8 93.7(3) . . ? C6 S3 C9 67.0(3) . . ? C8 S3 C9 26.7(3) . . ? C6 S3 O3 120.4(2) . . ? C8 S3 O3 26.7(3) . . ? C9 S3 O3 53.43(19) . . ? C6 S3 C7 25.6(3) . . ? C8 S3 C7 119.3(3) . . ? C9 S3 C7 92.5(2) . . ? O3 S3 C7 145.96(19) . . ? C6 S3 S4 31.3(2) . . ? C8 S3 S4 62.4(2) . . ? C9 S3 S4 35.67(16) . . ? O3 S3 S4 89.10(12) . . ? C7 S3 S4 56.87(15) . . ? C6 S3 S5 58.8(2) . . ? C8 S3 S5 152.5(2) . . ? C9 S3 S5 125.74(17) . . ? O3 S3 S5 179.04(12) . . ? C7 S3 S5 33.20(15) . . ? S4 S3 S5 90.07(6) . . ? C6 S3 S5 173.6(2) . 2_565 ? C8 S3 S5 89.9(2) . 2_565 ? C9 S3 S5 116.62(17) . 2_565 ? O3 S3 S5 63.40(12) . 2_565 ? C7 S3 S5 150.29(16) . 2_565 ? S4 S3 S5 151.93(8) . 2_565 ? S5 S3 S5 117.38(6) . 2_565 ? C6 S3 S3 120.0(2) . 2_565 ? C8 S3 S3 145.7(3) . 2_565 ? C9 S3 S3 171.13(18) . 2_565 ? O3 S3 S3 119.29(13) . 2_565 ? C7 S3 S3 94.55(16) . 2_565 ? S4 S3 S3 150.97(9) . 2_565 ? S5 S3 S3 61.49(6) . 2_565 ? S5 S3 S3 55.89(6) 2_565 2_565 ? C6 S3 S4 76.6(2) . 1_455 ? C8 S3 S4 82.5(2) . 1_455 ? C9 S3 S4 77.51(15) . 1_455 ? O3 S3 S4 89.64(12) . 1_455 ? C7 S3 S4 81.31(14) . 1_455 ? S4 S3 S4 74.29(5) . 1_455 ? S5 S3 S4 89.67(6) . 1_455 ? S5 S3 S4 98.70(6) 2_565 1_455 ? S3 S3 S4 98.29(7) 2_565 1_455 ? C6 S3 C6 89.2(2) . 1_455 ? C8 S3 C6 106.0(3) . 1_455 ? C9 S3 C6 104.86(18) . 1_455 ? O3 S3 C6 104.29(16) . 1_455 ? C7 S3 C6 82.16(17) . 1_455 ? S4 S3 C6 97.70(11) . 1_455 ? S5 S3 C6 75.35(11) . 1_455 ? S5 S3 C6 84.73(11) 2_565 1_455 ? S3 S3 C6 70.93(11) 2_565 1_455 ? S4 S3 C6 27.42(10) 1_455 1_455 ? C6 S3 S5 117.1(2) . 2_665 ? C8 S3 S5 76.0(2) . 2_665 ? C9 S3 S5 88.50(15) . 2_665 ? O3 S3 S5 65.39(12) . 2_665 ? C7 S3 S5 120.48(15) . 2_665 ? S4 S3 S5 105.98(7) . 2_665 ? S5 S3 S5 115.32(6) . 2_665 ? S5 S3 S5 68.94(5) 2_565 2_665 ? S3 S3 S5 92.48(7) 2_565 2_665 ? S4 S3 S5 154.93(7) 1_455 2_665 ? C6 S3 S5 153.65(11) 1_455 2_665 ? C6 S3 S3 90.4(2) . 2_665 ? C8 S3 S3 121.4(2) . 2_665 ? C9 S3 S3 118.44(16) . 2_665 ? O3 S3 S3 116.41(13) . 2_665 ? C7 S3 S3 77.64(15) . 2_665 ? S4 S3 S3 105.99(8) . 2_665 ? S5 S3 S3 64.30(6) . 2_665 ? S5 S3 S3 92.14(7) 2_565 2_665 ? S3 S3 S3 68.45(6) 2_565 2_665 ? S4 S3 S3 153.90(8) 1_455 2_665 ? C6 S3 S3 132.52(12) 1_455 2_665 ? S5 S3 S3 51.02(5) 2_665 2_665 ? C6 S4 C9 94.1(3) . . ? C6 S4 C8 67.1(3) . . ? C9 S4 C8 27.1(3) . . ? C6 S4 O4 120.7(3) . . ? C9 S4 O4 26.6(2) . . ? C8 S4 O4 53.63(18) . . ? C6 S4 C7 25.7(3) . . ? C9 S4 C7 119.8(3) . . ? C8 S4 C7 92.7(2) . . ? O4 S4 C7 146.36(19) . . ? C6 S4 S3 31.4(2) . . ? C9 S4 S3 62.7(2) . . ? C8 S4 S3 35.65(15) . . ? O4 S4 S3 89.28(12) . . ? C7 S4 S3 57.08(15) . . ? C6 S4 S6 58.5(2) . . ? C9 S4 S6 152.7(2) . . ? C8 S4 S6 125.60(16) . . ? O4 S4 S6 179.23(12) . . ? C7 S4 S6 32.87(15) . . ? S3 S4 S6 89.95(6) . . ? C6 S4 S2 172.9(2) . 2_655 ? C9 S4 S2 90.3(2) . 2_655 ? C8 S4 S2 117.26(16) . 2_655 ? O4 S4 S2 63.89(11) . 2_655 ? C7 S4 S2 149.47(16) . 2_655 ? S3 S4 S2 152.50(7) . 2_655 ? S6 S4 S2 116.87(6) . 2_655 ? C6 S4 S1 119.5(2) . 1_655 ? C9 S4 S1 145.8(2) . 1_655 ? C8 S4 S1 171.52(16) . 1_655 ? O4 S4 S1 119.50(12) . 1_655 ? C7 S4 S1 94.01(15) . 1_655 ? S3 S4 S1 150.63(7) . 1_655 ? S6 S4 S1 61.26(5) . 1_655 ? S2 S4 S1 55.61(5) 2_655 1_655 ? C6 S4 S3 76.7(2) . 1_655 ? C9 S4 S3 82.5(2) . 1_655 ? C8 S4 S3 77.52(15) . 1_655 ? O4 S4 S3 89.96(12) . 1_655 ? C7 S4 S3 81.72(14) . 1_655 ? S3 S4 S3 74.29(5) . 1_655 ? S6 S4 S3 89.89(6) . 1_655 ? S2 S4 S3 98.42(6) 2_655 1_655 ? S1 S4 S3 98.36(6) 1_655 1_655 ? C6 S4 C6 89.3(2) . 1_655 ? C9 S4 C6 106.0(2) . 1_655 ? C8 S4 C6 104.95(18) . 1_655 ? O4 S4 C6 104.54(16) . 1_655 ? C7 S4 C6 82.52(17) . 1_655 ? S3 S4 C6 97.81(11) . 1_655 ? S6 S4 C6 75.63(11) . 1_655 ? S2 S4 C6 84.12(11) 2_655 1_655 ? S1 S4 C6 70.89(11) 1_655 1_655 ? S3 S4 C6 27.51(10) 1_655 1_655 ? C6 S4 S2 117.5(2) . 2 ? C9 S4 S2 76.4(2) . 2 ? C8 S4 S2 89.16(15) . 2 ? O4 S4 S2 65.35(12) . 2 ? C7 S4 S2 120.26(15) . 2 ? S3 S4 S2 106.64(6) . 2 ? S6 S4 S2 114.84(6) . 2 ? S2 S4 S2 68.97(4) 2_655 2 ? S1 S4 S2 91.89(5) 1_655 2 ? S3 S4 S2 155.14(6) 1_655 2 ? C6 S4 S2 153.05(11) 1_655 2 ? C6 S4 S1 90.2(2) . . ? C9 S4 S1 121.7(2) . . ? C8 S4 S1 118.61(16) . . ? O4 S4 S1 116.42(12) . . ? C7 S4 S1 76.95(15) . . ? S3 S4 S1 105.97(6) . . ? S6 S4 S1 63.76(5) . . ? S2 S4 S1 92.25(5) 2_655 . ? S1 S4 S1 68.08(4) 1_655 . ? S3 S4 S1 153.57(6) 1_655 . ? C6 S4 S1 132.18(12) 1_655 . ? S2 S4 S1 51.08(4) 2 . ? C10 S5 C7 94.1(3) . . ? C10 S5 C11 27.0(3) . . ? C7 S5 C11 67.1(3) . . ? C10 S5 O5 27.0(3) . . ? C7 S5 O5 121.1(3) . . ? C11 S5 O5 54.0(2) . . ? C10 S5 C6 119.4(3) . . ? C7 S5 C6 25.4(3) . . ? C11 S5 C6 92.4(2) . . ? O5 S5 C6 146.4(2) . . ? C10 S5 S6 62.3(3) . . ? C7 S5 S6 31.7(2) . . ? C11 S5 S6 35.33(17) . . ? O5 S5 S6 89.34(14) . . ? C6 S5 S6 57.10(14) . . ? C10 S5 S3 152.3(3) . . ? C7 S5 S3 58.2(2) . . ? C11 S5 S3 125.31(18) . . ? O5 S5 S3 179.32(14) . . ? C6 S5 S3 32.88(14) . . ? S6 S5 S3 89.98(6) . . ? C10 S5 O3 97.5(3) . 2_565 ? C7 S5 O3 167.4(3) . 2_565 ? C11 S5 O3 124.5(2) . 2_565 ? O5 S5 O3 70.62(16) . 2_565 ? C6 S5 O3 142.72(17) . 2_565 ? S6 S5 O3 159.35(12) . 2_565 ? S3 S5 O3 110.06(11) . 2_565 ? C10 S5 S3 144.9(3) . 2_565 ? C7 S5 S3 120.6(2) . 2_565 ? C11 S5 S3 170.90(19) . 2_565 ? O5 S5 S3 118.06(14) . 2_565 ? C6 S5 S3 95.36(15) . 2_565 ? S6 S5 S3 152.08(8) . 2_565 ? S3 S5 S3 62.62(6) . 2_565 ? O3 S5 S3 47.44(10) 2_565 2_565 ? C10 S5 O3 82.0(3) . 2_665 ? C7 S5 O3 114.3(2) . 2_665 ? C11 S5 O3 93.19(18) . 2_665 ? O5 S5 O3 72.36(15) . 2_665 ? C6 S5 O3 114.68(16) . 2_665 ? S6 S5 O3 106.90(10) . 2_665 ? S3 S5 O3 107.83(10) . 2_665 ? O3 S5 O3 72.45(11) 2_565 2_665 ? S3 S5 O3 87.84(9) 2_565 2_665 ? C10 S5 S6 82.8(2) . 1_455 ? C7 S5 S6 77.0(2) . 1_455 ? C11 S5 S6 77.59(16) . 1_455 ? O5 S5 S6 89.45(14) . 1_455 ? C6 S5 S6 81.91(14) . 1_455 ? S6 S5 S6 74.66(5) . 1_455 ? S3 S5 S6 90.38(6) . 1_455 ? O3 S5 S6 99.50(11) 2_565 1_455 ? S3 S5 S6 98.84(6) 2_565 1_455 ? O3 S5 S6 161.63(11) 2_665 1_455 ? C10 S5 C7 106.6(3) . 1_455 ? C7 S5 C7 89.2(2) . 1_455 ? C11 S5 C7 105.2(2) . 1_455 ? O5 S5 C7 104.34(17) . 1_455 ? C6 S5 C7 82.39(17) . 1_455 ? S6 S5 C7 98.11(12) . 1_455 ? S3 S5 C7 75.77(12) . 1_455 ? O3 S5 C7 82.67(14) 2_565 1_455 ? S3 S5 C7 71.30(12) 2_565 1_455 ? O3 S5 C7 154.63(14) 2_665 1_455 ? S6 S5 C7 27.65(11) 1_455 1_455 ? C10 S5 C8 103.5(3) . 2_665 ? C7 S5 C8 114.3(2) . 2_665 ? C11 S5 C8 113.5(2) . 2_665 ? O5 S5 C8 90.93(17) . 2_665 ? C6 S5 C8 104.95(17) . 2_665 ? S6 S5 C8 119.15(12) . 2_665 ? S3 S5 C8 89.39(12) . 2_665 ? O3 S5 C8 67.70(14) 2_565 2_665 ? S3 S5 C8 68.90(12) 2_565 2_665 ? O3 S5 C8 21.58(13) 2_665 2_665 ? S6 S5 C8 166.19(12) 1_455 2_665 ? C7 S5 C8 140.00(16) 1_455 2_665 ? C10 S5 S3 120.0(3) . 2_665 ? C7 S5 S3 90.4(2) . 2_665 ? C11 S5 S3 117.51(17) . 2_665 ? O5 S5 S3 115.51(14) . 2_665 ? C6 S5 S3 77.81(14) . 2_665 ? S6 S5 S3 105.56(7) . 2_665 ? S3 S5 S3 64.68(6) . 2_665 ? O3 S5 S3 88.14(10) 2_565 2_665 ? S3 S5 S3 68.94(5) 2_565 2_665 ? O3 S5 S3 43.16(9) 2_665 2_665 ? S6 S5 S3 154.99(7) 1_455 2_665 ? C7 S5 S3 133.22(12) 1_455 2_665 ? C8 S5 S3 27.24(11) 2_665 2_665 ? C11 S6 C7 94.6(3) . . ? C11 S6 C10 27.1(3) . . ? C7 S6 C10 67.6(3) . . ? C11 S6 O6 26.6(3) . . ? C7 S6 O6 121.2(3) . . ? C10 S6 O6 53.6(2) . . ? C11 S6 C6 119.8(3) . . ? C7 S6 C6 25.2(3) . . ? C10 S6 C6 92.8(2) . . ? O6 S6 C6 146.44(19) . . ? C11 S6 S5 62.6(3) . . ? C7 S6 S5 32.0(2) . . ? C10 S6 S5 35.54(17) . . ? O6 S6 S5 89.18(13) . . ? C6 S6 S5 57.25(14) . . ? C11 S6 S4 152.6(3) . . ? C7 S6 S4 58.0(2) . . ? C10 S6 S4 125.52(18) . . ? O6 S6 S4 179.06(14) . . ? C6 S6 S4 32.73(14) . . ? S5 S6 S4 89.99(6) . . ? C11 S6 O1 97.2(3) . 1_655 ? C7 S6 O1 167.4(3) . 1_655 ? C10 S6 O1 124.2(2) . 1_655 ? O6 S6 O1 70.75(15) . 1_655 ? C6 S6 O1 142.68(17) . 1_655 ? S5 S6 O1 159.43(12) . 1_655 ? S4 S6 O1 110.12(11) . 1_655 ? C11 S6 S1 144.3(3) . 1_655 ? C7 S6 S1 120.6(2) . 1_655 ? C10 S6 S1 170.38(19) . 1_655 ? O6 S6 S1 117.95(14) . 1_655 ? C6 S6 S1 95.50(14) . 1_655 ? S5 S6 S1 152.37(7) . 1_655 ? S4 S6 S1 62.92(5) . 1_655 ? O1 S6 S1 47.21(10) 1_655 1_655 ? C11 S6 O1 81.7(3) . . ? C7 S6 O1 113.5(2) . . ? C10 S6 O1 92.62(18) . . ? O6 S6 O1 71.97(16) . . ? C6 S6 O1 114.33(16) . . ? S5 S6 O1 106.15(10) . . ? S4 S6 O1 107.86(10) . . ? O1 S6 O1 72.58(11) 1_655 . ? S1 S6 O1 88.42(9) 1_655 . ? C11 S6 S5 82.9(2) . 1_655 ? C7 S6 S5 77.1(2) . 1_655 ? C10 S6 S5 77.67(16) . 1_655 ? O6 S6 S5 90.14(14) . 1_655 ? C6 S6 S5 81.60(14) . 1_655 ? S5 S6 S5 74.66(5) . 1_655 ? S4 S6 S5 90.06(6) . 1_655 ? O1 S6 S5 100.19(11) 1_655 1_655 ? S1 S6 S5 98.69(6) 1_655 1_655 ? O1 S6 S5 162.01(11) . 1_655 ? C11 S6 C7 106.8(3) . 1_655 ? C7 S6 C7 89.4(2) . 1_655 ? C10 S6 C7 105.5(2) . 1_655 ? O6 S6 C7 105.11(18) . 1_655 ? C6 S6 C7 82.16(17) . 1_655 ? S5 S6 C7 98.37(12) . 1_655 ? S4 S6 C7 75.44(12) . 1_655 ? O1 S6 C7 83.12(15) 1_655 1_655 ? S1 S6 C7 70.93(12) 1_655 1_655 ? O1 S6 C7 155.18(14) . 1_655 ? S5 S6 C7 27.88(11) 1_655 1_655 ? C11 S6 S1 119.9(3) . . ? C7 S6 S1 90.4(2) . . ? C10 S6 S1 117.54(17) . . ? O6 S6 S1 114.64(14) . . ? C6 S6 S1 78.30(14) . . ? S5 S6 S1 105.74(7) . . ? S4 S6 S1 65.19(5) . . ? O1 S6 S1 87.34(10) 1_655 . ? S1 S6 S1 69.14(4) 1_655 . ? O1 S6 S1 42.67(9) . . ? S5 S6 S1 155.17(6) 1_655 . ? C7 S6 S1 133.15(12) 1_655 . ? C11 S6 C2 102.7(3) . . ? C7 S6 C2 114.2(3) . . ? C10 S6 C2 112.9(2) . . ? O6 S6 C2 89.89(17) . . ? C6 S6 C2 105.42(18) . . ? S5 S6 C2 118.80(12) . . ? S4 S6 C2 90.13(12) . . ? O1 S6 C2 67.18(14) 1_655 . ? S1 S6 C2 69.54(11) 1_655 . ? O1 S6 C2 21.19(13) . . ? S5 S6 C2 166.54(12) 1_655 . ? C7 S6 C2 140.26(15) 1_655 . ? S1 S6 C2 27.28(11) . . ? C8 O3 C12 110.6(5) . . ? C8 O3 C9 28.0(3) . . ? C12 O3 C9 83.4(4) . . ? C8 O3 C13 84.4(4) . . ? C12 O3 C13 35.6(4) . . ? C9 O3 C13 56.9(3) . . ? C8 O3 S3 35.0(3) . . ? C12 O3 S3 143.5(4) . . ? C9 O3 S3 63.0(2) . . ? C13 O3 S3 119.0(3) . . ? C8 O3 O4 55.8(3) . . ? C12 O3 O4 56.8(4) . . ? C9 O3 O4 27.8(2) . . ? C13 O3 O4 29.8(2) . . ? S3 O3 O4 90.81(17) . . ? C8 O3 S5 104.0(4) . 2_565 ? C12 O3 S5 144.0(4) . 2_565 ? C9 O3 S5 131.9(3) . 2_565 ? C13 O3 S5 163.6(3) . 2_565 ? S3 O3 S5 69.17(13) . 2_565 ? O4 O3 S5 159.2(2) . 2_565 ? C8 O3 O5 150.5(4) . 2_565 ? C12 O3 O5 98.8(4) . 2_565 ? C9 O3 O5 175.4(3) . 2_565 ? C13 O3 O5 123.3(3) . 2_565 ? S3 O3 O5 115.79(18) . 2_565 ? O4 O3 O5 152.9(2) . 2_565 ? S5 O3 O5 46.62(11) 2_565 2_565 ? C8 O3 S5 85.0(4) . 2_665 ? C12 O3 S5 100.4(4) . 2_665 ? C9 O3 S5 96.4(2) . 2_665 ? C13 O3 S5 122.9(3) . 2_665 ? S3 O3 S5 71.45(12) . 2_665 ? O4 O3 S5 107.40(18) . 2_665 ? S5 O3 S5 72.45(11) 2_565 2_665 ? O5 O3 S5 87.09(14) 2_565 2_665 ? C8 O3 C12 116.8(4) . 1_455 ? C12 O3 C12 98.9(4) . 1_455 ? C9 O3 C12 116.9(3) . 1_455 ? C13 O3 C12 90.2(3) . 1_455 ? S3 O3 C12 108.6(2) . 1_455 ? O4 O3 C12 109.5(2) . 1_455 ? S5 O3 C12 73.44(16) 2_565 1_455 ? O5 O3 C12 58.94(18) 2_565 1_455 ? S5 O3 C12 143.1(2) 2_665 1_455 ? C8 O3 O4 81.6(4) . 1_455 ? C12 O3 O4 96.4(4) . 1_455 ? C9 O3 O4 77.5(2) . 1_455 ? C13 O3 O4 68.6(2) . 1_455 ? S3 O3 O4 90.26(16) . 1_455 ? O4 O3 O4 75.41(15) . 1_455 ? S5 O3 O4 98.28(15) 2_565 1_455 ? O5 O3 O4 98.24(17) 2_565 1_455 ? S5 O3 O4 161.39(18) 2_665 1_455 ? C12 O3 O4 39.38(16) 1_455 1_455 ? C8 O3 C9 73.8(4) . 1_455 ? C12 O3 C9 117.7(4) . 1_455 ? C9 O3 C9 80.1(2) . 1_455 ? C13 O3 C9 88.0(3) . 1_455 ? S3 O3 C9 72.36(16) . 1_455 ? O4 O3 C9 87.67(19) . 1_455 ? S5 O3 C9 81.01(16) 2_565 1_455 ? O5 O3 C9 95.33(18) 2_565 1_455 ? S5 O3 C9 140.77(19) 2_665 1_455 ? C12 O3 C9 43.05(18) 1_455 1_455 ? O4 O3 C9 21.39(13) 1_455 1_455 ? C8 O3 C10 112.3(4) . 2_665 ? C12 O3 C10 87.8(4) . 2_665 ? C9 O3 C10 119.4(3) . 2_665 ? C13 O3 C10 120.7(3) . 2_665 ? S3 O3 C10 96.10(18) . 2_665 ? O4 O3 C10 120.1(2) . 2_665 ? S5 O3 C10 69.62(15) 2_565 2_665 ? O5 O3 C10 64.81(18) 2_565 2_665 ? S5 O3 C10 27.46(13) 2_665 2_665 ? C12 O3 C10 123.7(2) 1_455 2_665 ? O4 O3 C10 163.0(2) 1_455 2_665 ? C9 O3 C10 150.6(2) 1_455 2_665 ? C8 O3 O5 120.6(4) . 2_665 ? C12 O3 O5 67.0(4) . 2_665 ? C9 O3 O5 116.5(2) . 2_665 ? C13 O3 O5 100.9(2) . 2_665 ? S3 O3 O5 114.04(18) . 2_665 ? O4 O3 O5 107.05(19) . 2_665 ? S5 O3 O5 87.07(14) 2_565 2_665 ? O5 O3 O5 68.07(13) 2_565 2_665 ? S5 O3 O5 42.61(11) 2_665 2_665 ? C12 O3 O5 122.2(2) 1_455 2_665 ? O4 O3 O5 155.30(19) 1_455 2_665 ? C9 O3 O5 163.4(2) 1_455 2_665 ? C10 O3 O5 20.95(14) 2_665 2_665 ? C9 O4 C13 110.3(5) . . ? C9 O4 C8 27.6(4) . . ? C13 O4 C8 83.4(4) . . ? C9 O4 C12 84.3(4) . . ? C13 O4 C12 35.3(4) . . ? C8 O4 C12 57.1(3) . . ? C9 O4 S4 35.2(3) . . ? C13 O4 S4 143.4(4) . . ? C8 O4 S4 62.8(2) . . ? C12 O4 S4 119.0(3) . . ? C9 O4 O3 55.7(4) . . ? C13 O4 O3 56.5(4) . . ? C8 O4 O3 28.0(2) . . ? C12 O4 O3 29.8(2) . . ? S4 O4 O3 90.81(17) . . ? C9 O4 S2 104.1(4) . 2_655 ? C13 O4 S2 144.4(4) . 2_655 ? C8 O4 S2 131.6(3) . 2_655 ? C12 O4 S2 163.0(3) . 2_655 ? S4 O4 S2 69.18(13) . 2_655 ? O3 O4 S2 159.1(2) . 2_655 ? C9 O4 O2 149.5(4) . 2_655 ? C13 O4 O2 100.2(4) . 2_655 ? C8 O4 O2 173.2(3) . 2_655 ? C12 O4 O2 123.5(3) . 2_655 ? S4 O4 O2 114.93(18) . 2_655 ? O3 O4 O2 153.3(2) . 2_655 ? S2 O4 O2 45.76(11) 2_655 2_655 ? C9 O4 C13 116.2(4) . 1_655 ? C13 O4 C13 98.8(4) . 1_655 ? C8 O4 C13 116.5(3) . 1_655 ? C12 O4 C13 90.0(3) . 1_655 ? S4 O4 C13 108.4(2) . 1_655 ? O3 O4 C13 109.4(2) . 1_655 ? S2 O4 C13 73.00(16) 2_655 1_655 ? O2 O4 C13 57.44(17) 2_655 1_655 ? C9 O4 S2 85.6(4) . 2 ? C13 O4 S2 101.3(4) . 2 ? C8 O4 S2 97.0(2) . 2 ? C12 O4 S2 123.8(3) . 2 ? S4 O4 S2 71.33(12) . 2 ? O3 O4 S2 108.00(18) . 2 ? S2 O4 S2 72.30(11) 2_655 2 ? O2 O4 S2 87.98(13) 2_655 2 ? C13 O4 S2 142.60(19) 1_655 2 ? C9 O4 O3 81.2(4) . 1_655 ? C13 O4 O3 96.1(4) . 1_655 ? C8 O4 O3 77.3(2) . 1_655 ? C12 O4 O3 68.5(2) . 1_655 ? S4 O4 O3 90.10(16) . 1_655 ? O3 O4 O3 75.41(15) . 1_655 ? S2 O4 O3 97.74(15) 2_655 1_655 ? O2 O4 O3 96.54(16) 2_655 1_655 ? C13 O4 O3 39.24(16) 1_655 1_655 ? S2 O4 O3 160.99(18) 2 1_655 ? C9 O4 O2 122.2(4) . 2 ? C13 O4 O2 68.1(4) . 2 ? C8 O4 O2 118.2(2) . 2 ? C12 O4 O2 102.0(3) . 2 ? S4 O4 O2 114.43(17) . 2 ? O3 O4 O2 108.43(19) . 2 ? S2 O4 O2 86.32(13) 2_655 2 ? O2 O4 O2 68.57(12) 2_655 2 ? C13 O4 O2 121.1(2) 1_655 2 ? S2 O4 O2 43.14(10) 2 2 ? O3 O4 O2 154.76(18) 1_655 2 ? C9 O4 C8 73.3(4) . 1_655 ? C13 O4 C8 117.5(4) . 1_655 ? C8 O4 C8 79.8(2) . 1_655 ? C12 O4 C8 88.0(3) . 1_655 ? S4 O4 C8 72.11(16) . 1_655 ? O3 O4 C8 87.72(19) . 1_655 ? S2 O4 C8 80.43(16) 2_655 1_655 ? O2 O4 C8 93.40(17) 2_655 1_655 ? C13 O4 C8 42.96(17) 1_655 1_655 ? S2 O4 C8 140.17(19) 2 1_655 ? O3 O4 C8 21.48(13) 1_655 1_655 ? O2 O4 C8 161.96(19) 2 1_655 ? C9 O4 C3 113.0(4) . 2 ? C13 O4 C3 89.2(4) . 2 ? C8 O4 C3 120.4(3) . 2 ? C12 O4 C3 121.9(3) . 2 ? S4 O4 C3 95.85(18) . 2 ? O3 O4 C3 121.2(2) . 2 ? S2 O4 C3 68.96(14) 2_655 2 ? O2 O4 C3 65.65(16) 2_655 2 ? C13 O4 C3 123.1(2) 1_655 2 ? S2 O4 C3 27.55(12) 2 2 ? O3 O4 C3 162.1(2) 1_655 2 ? O2 O4 C3 21.27(13) 2 2 ? C8 O4 C3 149.4(2) 1_655 2 ? C10 O5 C14 109.1(6) . . ? C10 O5 C11 27.5(4) . . ? C14 O5 C11 82.5(5) . . ? C10 O5 C15 84.1(5) . . ? C14 O5 C15 34.1(4) . . ? C11 O5 C15 56.9(3) . . ? C10 O5 S5 35.5(4) . . ? C14 O5 S5 142.8(5) . . ? C11 O5 S5 63.0(2) . . ? C15 O5 S5 119.2(3) . . ? C10 O5 O6 55.2(4) . . ? C14 O5 O6 56.0(4) . . ? C11 O5 O6 27.7(2) . . ? C15 O5 O6 29.8(2) . . ? S5 O5 O6 90.69(19) . . ? C10 O5 O3 98.2(4) . 2_565 ? C14 O5 O3 150.7(5) . 2_565 ? C11 O5 O3 125.6(3) . 2_565 ? C15 O5 O3 167.3(3) . 2_565 ? S5 O5 O3 62.76(15) . 2_565 ? O6 O5 O3 153.0(2) . 2_565 ? C10 O5 C12 101.9(4) . 2_665 ? C14 O5 C12 101.0(5) . 2_665 ? C11 O5 C12 114.7(3) . 2_665 ? C15 O5 C12 129.9(4) . 2_665 ? S5 O5 C12 82.7(2) . 2_665 ? O6 O5 C12 122.6(3) . 2_665 ? O3 O5 C12 62.00(19) 2_565 2_665 ? C10 O5 C14 117.8(5) . 1_455 ? C14 O5 C14 98.4(5) . 1_455 ? C11 O5 C14 117.1(3) . 1_455 ? C15 O5 C14 90.6(3) . 1_455 ? S5 O5 C14 109.1(2) . 1_455 ? O6 O5 C14 109.6(3) . 1_455 ? O3 O5 C14 77.3(2) 2_565 1_455 ? C12 O5 C14 126.4(3) 2_665 1_455 ? C10 O5 O6 82.4(4) . 1_455 ? C14 O5 O6 95.6(5) . 1_455 ? C11 O5 O6 77.9(2) . 1_455 ? C15 O5 O6 69.4(3) . 1_455 ? S5 O5 O6 90.56(18) . 1_455 ? O6 O5 O6 75.72(18) . 1_455 ? O3 O5 O6 98.45(18) 2_565 1_455 ? C12 O5 O6 160.3(3) 2_665 1_455 ? C14 O5 O6 39.27(19) 1_455 1_455 ? C10 O5 C11 74.7(4) . 1_455 ? C14 O5 C11 117.1(5) . 1_455 ? C11 O5 C11 80.4(2) . 1_455 ? C15 O5 C11 88.9(3) . 1_455 ? S5 O5 C11 72.57(18) . 1_455 ? O6 O5 C11 88.0(2) . 1_455 ? O3 O5 C11 79.80(19) 2_565 1_455 ? C12 O5 C11 141.0(3) 2_665 1_455 ? C14 O5 C11 43.1(2) 1_455 1_455 ? O6 O5 C11 21.49(14) 1_455 1_455 ? C10 O5 O3 79.4(4) . 2_665 ? C14 O5 O3 106.0(5) . 2_665 ? C11 O5 O3 93.1(2) . 2_665 ? C15 O5 O3 124.5(3) . 2_665 ? S5 O5 O3 65.03(14) . 2_665 ? O6 O5 O3 106.5(2) . 2_665 ? O3 O5 O3 68.07(13) 2_565 2_665 ? C12 O5 O3 22.65(15) 2_665 2_665 ? C14 O5 O3 143.5(2) 1_455 2_665 ? O6 O5 O3 155.3(2) 1_455 2_665 ? C11 O5 O3 135.0(2) 1_455 2_665 ? C11 O6 C15 111.1(6) . . ? C11 O6 C10 28.1(4) . . ? C15 O6 C10 83.7(5) . . ? C11 O6 C14 84.7(5) . . ? C15 O6 C14 34.6(5) . . ? C10 O6 C14 57.1(3) . . ? C11 O6 S6 34.9(4) . . ? C15 O6 S6 144.2(5) . . ? C10 O6 S6 63.0(2) . . ? C14 O6 S6 119.3(3) . . ? C11 O6 O5 55.9(4) . . ? C15 O6 O5 56.8(4) . . ? C10 O6 O5 27.8(2) . . ? C14 O6 O5 30.1(2) . . ? S6 O6 O5 90.78(19) . . ? C11 O6 C4 102.3(4) . . ? C15 O6 C4 100.2(5) . . ? C10 O6 C4 114.6(3) . . ? C14 O6 C4 129.3(4) . . ? S6 O6 C4 83.4(2) . . ? O5 O6 C4 121.7(3) . . ? C11 O6 O1 96.9(4) . 1_655 ? C15 O6 O1 150.3(5) . 1_655 ? C10 O6 O1 125.0(3) . 1_655 ? C14 O6 O1 167.2(4) . 1_655 ? S6 O6 O1 62.14(15) . 1_655 ? O5 O6 O1 152.6(2) . 1_655 ? C4 O6 O1 62.85(19) . 1_655 ? C11 O6 N22 161.9(9) . . ? C15 O6 N22 77.3(7) . . ? C10 O6 N22 158.3(6) . . ? C14 O6 N22 108.4(7) . . ? S6 O6 N22 131.7(7) . . ? O5 O6 N22 133.9(6) . . ? C4 O6 N22 59.8(7) . . ? O1 O6 N22 73.1(6) 1_655 . ? C11 O6 C15 116.5(5) . 1_655 ? C15 O6 C15 97.9(5) . 1_655 ? C10 O6 C15 116.6(3) . 1_655 ? C14 O6 C15 90.6(3) . 1_655 ? S6 O6 C15 108.3(2) . 1_655 ? O5 O6 C15 109.9(3) . 1_655 ? C4 O6 C15 127.0(3) . 1_655 ? O1 O6 C15 77.3(2) 1_655 1_655 ? N22 O6 C15 76.7(6) . 1_655 ? C11 O6 O5 81.2(4) . 1_655 ? C15 O6 O5 95.6(5) . 1_655 ? C10 O6 O5 77.1(2) . 1_655 ? C14 O6 O5 69.1(3) . 1_655 ? S6 O6 O5 89.82(18) . 1_655 ? O5 O6 O5 75.72(18) . 1_655 ? C4 O6 O5 161.2(2) . 1_655 ? O1 O6 O5 98.49(19) 1_655 1_655 ? N22 O6 O5 114.7(6) . 1_655 ? C15 O6 O5 39.5(2) 1_655 1_655 ? C11 O6 C10 73.6(4) . 1_655 ? C15 O6 C10 117.0(5) . 1_655 ? C10 O6 C10 80.0(2) . 1_655 ? C14 O6 C10 88.7(3) . 1_655 ? S6 O6 C10 72.00(18) . 1_655 ? O5 O6 C10 88.2(2) . 1_655 ? C4 O6 C10 141.7(3) . 1_655 ? O1 O6 C10 79.59(19) 1_655 1_655 ? N22 O6 C10 117.9(6) . 1_655 ? C15 O6 C10 43.0(2) 1_655 1_655 ? O5 O6 C10 21.47(14) 1_655 1_655 ? C11 O6 O1 79.8(4) . . ? C15 O6 O1 106.1(5) . . ? C10 O6 O1 93.2(3) . . ? C14 O6 O1 124.5(3) . . ? S6 O6 O1 65.54(14) . . ? O5 O6 O1 106.0(2) . . ? C4 O6 O1 22.67(15) . . ? O1 O6 O1 68.26(13) 1_655 . ? N22 O6 O1 82.4(7) . . ? C15 O6 O1 143.6(2) 1_655 . ? O5 O6 O1 155.2(2) 1_655 . ? C10 O6 O1 135.0(2) 1_655 . ? C7 C6 S4 121.3(5) . . ? C7 C6 S3 121.4(5) . . ? S4 C6 S3 117.3(4) . . ? C7 C6 C8 164.6(5) . . ? S4 C6 C8 74.0(3) . . ? S3 C6 C8 43.2(2) . . ? C7 C6 C9 164.5(5) . . ? S4 C6 C9 43.1(2) . . ? S3 C6 C9 74.1(3) . . ? C8 C6 C9 30.9(2) . . ? C7 C6 S6 32.6(3) . . ? S4 C6 S6 88.7(3) . . ? S3 C6 S6 154.0(3) . . ? C8 C6 S6 162.8(3) . . ? C9 C6 S6 131.9(3) . . ? C7 C6 S5 33.1(3) . . ? S4 C6 S5 154.4(4) . . ? S3 C6 S5 88.3(3) . . ? C8 C6 S5 131.6(3) . . ? C9 C6 S5 162.5(3) . . ? S6 C6 S5 65.64(16) . . ? C7 C6 S3 104.6(4) . 1_655 ? S4 C6 S3 75.9(2) . 1_655 ? S3 C6 S3 89.2(2) . 1_655 ? C8 C6 S3 78.6(2) . 1_655 ? C9 C6 S3 73.9(2) . 1_655 ? S6 C6 S3 97.65(18) . 1_655 ? S5 C6 S3 106.67(19) . 1_655 ? C7 C6 S4 104.0(4) . 1_455 ? S4 C6 S4 89.3(2) . 1_455 ? S3 C6 S4 75.9(2) . 1_455 ? C8 C6 S4 73.9(2) . 1_455 ? C9 C6 S4 78.6(2) . 1_455 ? S6 C6 S4 106.44(19) . 1_455 ? S5 C6 S4 97.25(17) . 1_455 ? S3 C6 S4 151.4(2) 1_655 1_455 ? C6 C7 S5 121.6(5) . . ? C6 C7 S6 122.2(5) . . ? S5 C7 S6 116.2(4) . . ? C6 C7 C10 164.3(6) . . ? S5 C7 C10 42.8(2) . . ? S6 C7 C10 73.5(3) . . ? C6 C7 C11 164.8(6) . . ? S5 C7 C11 73.7(3) . . ? S6 C7 C11 42.6(2) . . ? C10 C7 C11 30.9(3) . . ? C6 C7 S3 33.0(3) . . ? S5 C7 S3 88.5(3) . . ? S6 C7 S3 155.2(4) . . ? C10 C7 S3 131.3(3) . . ? C11 C7 S3 162.2(4) . . ? C6 C7 S4 33.0(3) . . ? S5 C7 S4 154.6(4) . . ? S6 C7 S4 89.2(3) . . ? C10 C7 S4 162.6(4) . . ? C11 C7 S4 131.7(3) . . ? S3 C7 S4 66.05(17) . . ? C6 C7 S5 104.3(4) . 1_655 ? S5 C7 S5 89.2(2) . 1_655 ? S6 C7 S5 75.3(2) . 1_655 ? C10 C7 S5 78.2(2) . 1_655 ? C11 C7 S5 73.6(2) . 1_655 ? S3 C7 S5 106.3(2) . 1_655 ? S4 C7 S5 97.84(19) . 1_655 ? C6 C7 S6 105.0(4) . 1_455 ? S5 C7 S6 75.2(2) . 1_455 ? S6 C7 S6 89.4(2) . 1_455 ? C10 C7 S6 73.5(2) . 1_455 ? C11 C7 S6 78.3(2) . 1_455 ? S3 C7 S6 98.03(18) . 1_455 ? S4 C7 S6 106.9(2) . 1_455 ? S5 C7 S6 150.8(2) 1_655 1_455 ? C9 C8 O3 123.8(6) . . ? C9 C8 S3 117.9(5) . . ? O3 C8 S3 118.3(5) . . ? C9 C8 C12 89.0(5) . . ? O3 C8 C12 35.8(3) . . ? S3 C8 C12 151.5(4) . . ? C9 C8 O4 27.7(4) . . ? O3 C8 O4 96.2(4) . . ? S3 C8 O4 145.5(4) . . ? C12 C8 O4 61.8(3) . . ? C9 C8 C6 74.8(4) . . ? O3 C8 C6 161.3(5) . . ? S3 C8 C6 43.0(2) . . ? C12 C8 C6 161.3(4) . . ? O4 C8 C6 102.5(3) . . ? C9 C8 C13 59.8(4) . . ? O3 C8 C13 64.8(4) . . ? S3 C8 C13 172.0(4) . . ? C12 C8 C13 34.3(3) . . ? O4 C8 C13 32.6(2) . . ? C6 C8 C13 133.7(4) . . ? C9 C8 S4 35.9(4) . . ? O3 C8 S4 159.8(5) . . ? S3 C8 S4 81.9(3) . . ? C12 C8 S4 124.4(3) . . ? O4 C8 S4 63.6(2) . . ? C6 C8 S4 38.90(17) . . ? C13 C8 S4 95.2(3) . . ? C9 C8 C9 101.0(5) . 1_455 ? O3 C8 C9 84.5(4) . 1_455 ? S3 C8 C9 85.8(3) . 1_455 ? C12 C8 C9 99.2(3) . 1_455 ? O4 C8 C9 98.9(3) . 1_455 ? C6 C8 C9 93.0(3) . 1_455 ? C13 C8 C9 87.3(3) . 1_455 ? S4 C8 C9 98.5(2) . 1_455 ? C9 C8 O4 88.5(4) . 1_455 ? O3 C8 O4 76.9(4) . 1_455 ? S3 C8 O4 107.1(3) . 1_455 ? C12 C8 O4 81.6(3) . 1_455 ? O4 C8 O4 79.8(2) . 1_455 ? C6 C8 O4 106.7(3) . 1_455 ? C13 C8 O4 65.8(2) . 1_455 ? S4 C8 O4 98.6(2) . 1_455 ? C9 C8 O4 21.50(14) 1_455 1_455 ? C9 C8 S5 118.8(4) . 2_665 ? O3 C8 S5 73.4(3) . 2_665 ? S3 C8 S5 76.7(2) . 2_665 ? C12 C8 S5 81.9(3) . 2_665 ? O4 C8 S5 115.7(3) . 2_665 ? C6 C8 S5 97.7(2) . 2_665 ? C13 C8 S5 111.2(3) . 2_665 ? S4 C8 S5 113.7(2) . 2_665 ? C9 C8 S5 140.3(2) 1_455 2_665 ? O4 C8 S5 147.6(2) 1_455 2_665 ? C8 C9 O4 124.7(6) . . ? C8 C9 S4 117.0(5) . . ? O4 C9 S4 118.3(5) . . ? C8 C9 C13 89.5(5) . . ? O4 C9 C13 36.0(3) . . ? S4 C9 C13 151.7(4) . . ? C8 C9 O3 28.2(4) . . ? O4 C9 O3 96.5(4) . . ? S4 C9 O3 145.2(4) . . ? C13 C9 O3 61.8(3) . . ? C8 C9 C6 74.3(4) . . ? O4 C9 C6 161.0(5) . . ? S4 C9 C6 42.7(2) . . ? C13 C9 C6 161.2(4) . . ? O3 C9 C6 102.5(3) . . ? C8 C9 C12 60.3(4) . . ? O4 C9 C12 65.2(4) . . ? S4 C9 C12 172.1(4) . . ? C13 C9 C12 34.3(3) . . ? O3 C9 C12 32.6(2) . . ? C6 C9 C12 133.7(4) . . ? C8 C9 S3 35.4(4) . . ? O4 C9 S3 160.1(5) . . ? S4 C9 S3 81.6(3) . . ? C13 C9 S3 124.4(3) . . ? O3 C9 S3 63.6(2) . . ? C6 C9 S3 38.89(17) . . ? C12 C9 S3 95.3(3) . . ? C8 C9 C8 101.0(5) . 1_655 ? O4 C9 C8 85.2(4) . 1_655 ? S4 C9 C8 85.6(3) . 1_655 ? C13 C9 C8 99.7(3) . 1_655 ? O3 C9 C8 99.3(3) . 1_655 ? C6 C9 C8 92.8(3) . 1_655 ? C12 C9 C8 87.6(3) . 1_655 ? S3 C9 C8 98.3(2) . 1_655 ? C8 C9 O3 88.7(4) . 1_655 ? O4 C9 O3 77.5(4) . 1_655 ? S4 C9 O3 107.2(3) . 1_655 ? C13 C9 O3 81.8(3) . 1_655 ? O3 C9 O3 80.1(2) . 1_655 ? C6 C9 O3 106.7(3) . 1_655 ? C12 C9 O3 65.9(2) . 1_655 ? S3 C9 O3 98.6(2) . 1_655 ? C8 C9 O3 21.70(14) 1_655 1_655 ? C8 C9 S2 119.3(4) . 2 ? O4 C9 S2 72.9(3) . 2 ? S4 C9 S2 76.2(2) . 2 ? C13 C9 S2 82.2(3) . 2 ? O3 C9 S2 116.1(3) . 2 ? C6 C9 S2 97.3(2) . 2 ? C12 C9 S2 111.7(3) . 2 ? S3 C9 S2 113.8(2) . 2 ? C8 C9 S2 139.7(2) 1_655 2 ? O3 C9 S2 147.4(2) 1_655 2 ? C11 C10 O5 125.0(7) . . ? C11 C10 S5 117.5(6) . . ? O5 C10 S5 117.5(6) . . ? C11 C10 C14 89.2(6) . . ? O5 C10 C14 36.8(4) . . ? S5 C10 C14 152.0(5) . . ? C11 C10 O6 28.0(4) . . ? O5 C10 O6 97.1(5) . . ? S5 C10 O6 145.5(4) . . ? C14 C10 O6 61.7(4) . . ? C11 C10 C7 74.3(5) . . ? O5 C10 C7 160.6(6) . . ? S5 C10 C7 43.2(2) . . ? C14 C10 C7 161.5(5) . . ? O6 C10 C7 102.3(3) . . ? C11 C10 S6 35.4(4) . . ? O5 C10 S6 160.4(6) . . ? S5 C10 S6 82.1(3) . . ? C14 C10 S6 124.2(4) . . ? O6 C10 S6 63.3(2) . . ? C7 C10 S6 38.96(19) . . ? C11 C10 C15 60.2(5) . . ? O5 C10 C15 65.3(4) . . ? S5 C10 C15 172.0(5) . . ? C14 C10 C15 33.5(3) . . ? O6 C10 C15 32.7(3) . . ? C7 C10 C15 133.7(4) . . ? S6 C10 C15 95.2(3) . . ? C11 C10 C11 100.8(5) . 1_455 ? O5 C10 C11 83.5(4) . 1_455 ? S5 C10 C11 85.3(3) . 1_455 ? C14 C10 C11 98.7(4) . 1_455 ? O6 C10 C11 99.0(3) . 1_455 ? C7 C10 C11 92.8(3) . 1_455 ? S6 C10 C11 98.6(2) . 1_455 ? C15 C10 C11 87.7(3) . 1_455 ? C11 C10 O6 88.6(4) . 1_455 ? O5 C10 O6 76.1(4) . 1_455 ? S5 C10 O6 106.6(3) . 1_455 ? C14 C10 O6 80.9(3) . 1_455 ? O6 C10 O6 80.0(2) . 1_455 ? C7 C10 O6 106.6(3) . 1_455 ? S6 C10 O6 98.8(2) . 1_455 ? C15 C10 O6 66.2(3) . 1_455 ? C11 C10 O6 21.48(15) 1_455 1_455 ? C11 C10 O3 119.2(5) . 2_665 ? O5 C10 O3 79.7(4) . 2_665 ? S5 C10 O3 70.5(2) . 2_665 ? C14 C10 O3 89.6(3) . 2_665 ? O6 C10 O3 119.6(3) . 2_665 ? C7 C10 O3 91.1(3) . 2_665 ? S6 C10 O3 109.4(2) . 2_665 ? C15 C10 O3 117.4(3) . 2_665 ? C11 C10 O3 139.3(3) 1_455 2_665 ? O6 C10 O3 150.6(3) 1_455 2_665 ? C10 C11 O6 123.9(7) . . ? C10 C11 S6 117.6(6) . . ? O6 C11 S6 118.5(6) . . ? C10 C11 C15 89.0(6) . . ? O6 C11 C15 35.7(4) . . ? S6 C11 C15 152.0(5) . . ? C10 C11 O5 27.5(4) . . ? O6 C11 O5 96.5(5) . . ? S6 C11 O5 145.0(4) . . ? C15 C11 O5 61.9(4) . . ? C10 C11 C7 74.8(5) . . ? O6 C11 C7 161.3(6) . . ? S6 C11 C7 42.8(2) . . ? C15 C11 C7 161.4(5) . . ? O5 C11 C7 102.2(3) . . ? C10 C11 S5 35.5(4) . . ? O6 C11 S5 159.4(6) . . ? S6 C11 S5 82.1(3) . . ? C15 C11 S5 124.0(4) . . ? O5 C11 S5 63.0(2) . . ? C7 C11 S5 39.27(19) . . ? C10 C11 C14 59.9(5) . . ? O6 C11 C14 64.7(4) . . ? S6 C11 C14 172.3(5) . . ? C15 C11 C14 33.6(3) . . ? O5 C11 C14 33.0(3) . . ? C7 C11 C14 133.9(4) . . ? S5 C11 C14 95.1(3) . . ? C10 C11 C10 100.8(5) . 1_655 ? O6 C11 C10 84.9(4) . 1_655 ? S6 C11 C10 85.3(3) . 1_655 ? C15 C11 C10 99.0(4) . 1_655 ? O5 C11 C10 99.7(3) . 1_655 ? C7 C11 C10 92.9(3) . 1_655 ? S5 C11 C10 98.6(2) . 1_655 ? C14 C11 C10 88.0(3) . 1_655 ? C10 C11 O5 88.2(4) . 1_655 ? O6 C11 O5 77.3(4) . 1_655 ? S6 C11 O5 106.9(3) . 1_655 ? C15 C11 O5 81.2(3) . 1_655 ? O5 C11 O5 80.4(2) . 1_655 ? C7 C11 O5 106.7(3) . 1_655 ? S5 C11 O5 98.6(2) . 1_655 ? C14 C11 O5 66.4(3) . 1_655 ? C10 C11 O5 21.70(15) 1_655 1_655 ? C10 C11 O1 118.3(5) . . ? O6 C11 O1 79.3(4) . . ? S6 C11 O1 71.1(3) . . ? C15 C11 O1 89.1(3) . . ? O5 C11 O1 118.1(3) . . ? C7 C11 O1 90.8(3) . . ? S5 C11 O1 108.8(2) . . ? C14 C11 O1 116.6(3) . . ? C10 C11 O1 140.3(3) 1_655 . ? O5 C11 O1 151.7(3) 1_655 . ? O3 C12 C13 110.4(6) . . ? O3 C12 C8 33.7(3) . . ? C13 C12 C8 85.7(5) . . ? O3 C12 O4 93.4(4) . . ? C13 C12 O4 33.7(4) . . ? C8 C12 O4 61.0(3) . . ? O3 C12 C9 64.0(4) . . ? C13 C12 C9 59.6(4) . . ? C8 C12 C9 30.7(2) . . ? O4 C12 C9 30.6(2) . . ? O3 C12 N23 111.8(10) . 1_454 ? C13 C12 N23 82.8(9) . 1_454 ? C8 C12 N23 132.6(10) . 1_454 ? O4 C12 N23 116.3(8) . 1_454 ? C9 C12 N23 133.3(9) . 1_454 ? O3 C12 N23 165.6(8) . 1_554 ? C13 C12 N23 82.9(9) . 1_554 ? C8 C12 N23 148.9(7) . 1_554 ? O4 C12 N23 95.2(8) . 1_554 ? C9 C12 N23 122.0(8) . 1_554 ? N23 C12 N23 74.4(9) 1_454 1_554 ? O3 C12 O5 90.3(4) . 2_665 ? C13 C12 O5 152.1(5) . 2_665 ? C8 C12 O5 104.1(3) . 2_665 ? O4 C12 O5 131.0(3) . 2_665 ? C9 C12 O5 119.0(3) . 2_665 ? N23 C12 O5 107.3(8) 1_454 2_665 ? N23 C12 O5 75.4(7) 1_554 2_665 ? O3 C12 O3 98.9(4) . 1_655 ? C13 C12 O3 98.2(5) . 1_655 ? C8 C12 O3 80.2(3) . 1_655 ? O4 C12 O3 72.1(2) . 1_655 ? C9 C12 O3 71.0(2) . 1_655 ? N23 C12 O3 146.9(9) 1_454 1_655 ? N23 C12 O3 73.0(5) 1_554 1_655 ? O5 C12 O3 59.06(18) 2_665 1_655 ? O3 C12 N21 171.0(9) . 1_654 ? C13 C12 N21 61.5(7) . 1_654 ? C8 C12 N21 137.8(9) . 1_654 ? O4 C12 N21 77.6(8) . 1_654 ? C9 C12 N21 107.2(8) . 1_654 ? N23 C12 N21 72.2(12) 1_454 1_654 ? N23 C12 N21 21.4(8) 1_554 1_654 ? O5 C12 N21 96.2(6) 2_665 1_654 ? O3 C12 N21 79.3(8) 1_655 1_654 ? O3 C12 C21 128.9(8) . 1_554 ? C13 C12 C21 71.1(10) . 1_554 ? C8 C12 C21 141.5(6) . 1_554 ? O4 C12 C21 104.3(9) . 1_554 ? C9 C12 C21 128.8(8) . 1_554 ? N23 C12 C21 18.6(11) 1_454 1_554 ? N23 C12 C21 59.5(7) 1_554 1_554 ? O5 C12 C21 110.7(7) 2_665 1_554 ? O3 C12 C21 132.1(7) 1_655 1_554 ? N21 C12 C21 54.1(11) 1_654 1_554 ? O3 C12 N21 116.2(7) . 1_554 ? C13 C12 N21 62.2(9) . 1_554 ? C8 C12 N21 124.5(5) . 1_554 ? O4 C12 N21 95.7(8) . 1_554 ? C9 C12 N21 115.2(7) . 1_554 ? N23 C12 N21 20.6(9) 1_454 1_554 ? N23 C12 N21 74.4(7) 1_554 1_554 ? O5 C12 N21 125.8(6) 2_665 1_554 ? O3 C12 N21 143.7(7) 1_655 1_554 ? N21 C12 N21 64.6(8) 1_654 1_554 ? C21 C12 N21 17.0(5) 1_554 1_554 ? O3 C12 H12A 109.6 . . ? C13 C12 H12A 109.6 . . ? C8 C12 H12A 98.5 . . ? O4 C12 H12A 89.8 . . ? C9 C12 H12A 91.9 . . ? N23 C12 H12A 128.7 1_454 . ? N23 C12 H12A 59.1 1_554 . ? O5 C12 H12A 43.8 2_665 . ? O3 C12 H12A 20.9 1_655 . ? N21 C12 H12A 71.6 1_654 . ? C21 C12 H12A 117.8 1_554 . ? N21 C12 H12A 133.4 1_554 . ? O3 C12 H12B 109.6 . . ? C13 C12 H12B 109.6 . . ? C8 C12 H12B 141.8 . . ? O4 C12 H12B 143.1 . . ? C9 C12 H12B 159.9 . . ? N23 C12 H12B 28.6 1_454 . ? N23 C12 H12B 69.2 1_554 . ? O5 C12 H12B 78.8 2_665 . ? O3 C12 H12B 129.0 1_655 . ? N21 C12 H12B 78.0 1_654 . ? C21 C12 H12B 38.8 1_554 . ? N21 C12 H12B 48.6 1_554 . ? H12A C12 H12B 108.1 . . ? O4 C13 C12 111.0(6) . . ? O4 C13 C9 33.7(3) . . ? C12 C13 C9 86.1(5) . . ? O4 C13 O3 93.7(4) . . ? C12 C13 O3 34.0(4) . . ? C9 C13 O3 61.3(3) . . ? O4 C13 C8 64.0(4) . . ? C12 C13 C8 60.0(4) . . ? C9 C13 C8 30.7(2) . . ? O3 C13 C8 30.8(2) . . ? O4 C13 N21 108.7(11) . 1_654 ? C12 C13 N21 94.9(9) . 1_654 ? C9 C13 N21 135.4(10) . 1_654 ? O3 C13 N21 128.7(8) . 1_654 ? C8 C13 N21 143.8(8) . 1_654 ? O4 C13 N21 153.3(9) . 1_554 ? C12 C13 N21 94.8(9) . 1_554 ? C9 C13 N21 150.2(6) . 1_554 ? O3 C13 N21 104.9(9) . 1_554 ? C8 C13 N21 129.0(8) . 1_554 ? N21 C13 N21 74.4(9) 1_654 1_554 ? O4 C13 O2 88.7(4) . 2 ? C12 C13 O2 153.9(5) . 2 ? C9 C13 O2 103.7(3) . 2 ? O3 C13 O2 132.4(3) . 2 ? C8 C13 O2 119.5(3) . 2 ? N21 C13 O2 94.7(8) 1_654 2 ? N21 C13 O2 64.7(7) 1_554 2 ? O4 C13 N23 173.8(9) . 1_454 ? C12 C13 N23 71.9(8) . 1_454 ? C9 C13 N23 144.0(9) . 1_454 ? O3 C13 N23 86.0(8) . 1_454 ? C8 C13 N23 114.6(8) . 1_454 ? N21 C13 N23 76.1(13) 1_654 1_454 ? N21 C13 N23 22.9(9) 1_554 1_454 ? O2 C13 N23 86.9(7) 2 1_454 ? O4 C13 N23 115.2(7) . 1_554 ? C12 C13 N23 71.8(8) . 1_554 ? C9 C13 N23 129.5(6) . 1_554 ? O3 C13 N23 105.7(8) . 1_554 ? C8 C13 N23 124.3(7) . 1_554 ? N21 C13 N23 23.1(9) 1_654 1_554 ? N21 C13 N23 78.3(7) 1_554 1_554 ? O2 C13 N23 116.1(7) 2 1_554 ? N23 C13 N23 70.7(8) 1_454 1_554 ? O4 C13 O4 98.8(4) . 1_455 ? C12 C13 O4 98.4(5) . 1_455 ? C9 C13 O4 80.5(3) . 1_455 ? O3 C13 O4 72.1(2) . 1_455 ? C8 C13 O4 71.3(2) . 1_455 ? N21 C13 O4 142.7(9) 1_654 1_455 ? N21 C13 O4 69.9(5) 1_554 1_455 ? O2 C13 O4 60.52(18) 2 1_455 ? N23 C13 O4 75.2(9) 1_454 1_455 ? N23 C13 O4 146.0(6) 1_554 1_455 ? O4 C13 C21 161.2(10) . 1_554 ? C12 C13 C21 85.6(10) . 1_554 ? C9 C13 C21 163.7(9) . 1_554 ? O3 C13 C21 105.1(10) . 1_554 ? C8 C13 C21 134.5(9) . 1_554 ? N21 C13 C21 59.4(12) 1_654 1_554 ? N21 C13 C21 18.3(6) 1_554 1_554 ? O2 C13 C21 78.5(8) 2 1_554 ? N23 C13 C21 20.0(11) 1_454 1_554 ? N23 C13 C21 60.3(7) 1_554 1_554 ? O4 C13 C21 86.9(6) 1_455 1_554 ? O4 C13 C23 126.4(8) . 1_554 ? C12 C13 C23 82.4(10) . 1_554 ? C9 C13 C23 147.2(6) . 1_554 ? O3 C13 C23 115.9(10) . 1_554 ? C8 C13 C23 140.2(9) . 1_554 ? N21 C13 C23 18.7(12) 1_654 1_554 ? N21 C13 C23 61.8(7) 1_554 1_554 ? O2 C13 C23 99.9(8) 2 1_554 ? N23 C13 C23 58.9(11) 1_454 1_554 ? N23 C13 C23 18.3(6) 1_554 1_554 ? O4 C13 C23 131.5(6) 1_455 1_554 ? C21 C13 C23 44.6(5) 1_554 1_554 ? O4 C13 H13A 109.4 . . ? C12 C13 H13A 109.4 . . ? C9 C13 H13A 98.6 . . ? O3 C13 H13A 89.5 . . ? C8 C13 H13A 91.9 . . ? N21 C13 H13A 122.5 1_654 . ? N21 C13 H13A 53.0 1_554 . ? O2 C13 H13A 45.8 2 . ? N23 C13 H13A 64.4 1_454 . ? N23 C13 H13A 131.3 1_554 . ? O4 C13 H13A 20.7 1_455 . ? C21 C13 H13A 71.1 1_554 . ? C23 C13 H13A 114.1 1_554 . ? O4 C13 H13B 109.4 . . ? C12 C13 H13B 109.4 . . ? C9 C13 H13B 141.6 . . ? O3 C13 H13B 143.3 . . ? C8 C13 H13B 159.9 . . ? N21 C13 H13B 16.9 1_654 . ? N21 C13 H13B 65.7 1_554 . ? O2 C13 H13B 77.8 2 . ? N23 C13 H13B 73.9 1_454 . ? N23 C13 H13B 38.9 1_554 . ? O4 C13 H13B 128.7 1_455 . ? C21 C13 H13B 54.6 1_554 . ? C23 C13 H13B 27.5 1_554 . ? H13A C13 H13B 108.0 . . ? O5 C14 C15 112.3(7) . . ? O5 C14 C10 34.1(3) . . ? C15 C14 C10 86.9(6) . . ? O5 C14 O6 94.0(5) . . ? C15 C14 O6 33.9(4) . . ? C10 C14 O6 61.2(3) . . ? O5 C14 C11 64.5(4) . . ? C15 C14 C11 60.3(5) . . ? C10 C14 C11 30.9(3) . . ? O6 C14 C11 30.6(2) . . ? O5 C14 O5 98.4(5) . 1_655 ? C15 C14 O5 97.3(6) . 1_655 ? C10 C14 O5 79.4(3) . 1_655 ? O6 C14 O5 71.6(3) . 1_655 ? C11 C14 O5 70.5(3) . 1_655 ? O5 C14 N24 132.0(8) . 2_666 ? C15 C14 N24 115.3(8) . 2_666 ? C10 C14 N24 152.8(9) . 2_666 ? O6 C14 N24 130.2(8) . 2_666 ? C11 C14 N24 150.8(10) . 2_666 ? O5 C14 N24 82.2(10) 1_655 2_666 ? O5 C14 H14A 109.2 . . ? C15 C14 H14A 109.2 . . ? C10 C14 H14A 141.7 . . ? O6 C14 H14A 143.0 . . ? C11 C14 H14A 159.7 . . ? O5 C14 H14A 129.7 1_655 . ? N24 C14 H14A 48.1 2_666 . ? O5 C14 H14B 109.1 . . ? C15 C14 H14B 109.1 . . ? C10 C14 H14B 98.4 . . ? O6 C14 H14B 90.2 . . ? C11 C14 H14B 92.3 . . ? O5 C14 H14B 21.9 1_655 . ? N24 C14 H14B 60.7 2_666 . ? H14A C14 H14B 107.9 . . ? O6 C15 C14 111.4(7) . . ? O6 C15 C11 33.2(3) . . ? C14 C15 C11 86.2(5) . . ? O6 C15 O5 93.4(5) . . ? C14 C15 O5 33.7(4) . . ? C11 C15 O5 61.2(3) . . ? O6 C15 C10 63.7(4) . . ? C14 C15 C10 59.5(5) . . ? C11 C15 C10 30.8(3) . . ? O5 C15 C10 30.6(2) . . ? O6 C15 N22 78.9(7) . . ? C14 C15 N22 152.8(10) . . ? C11 C15 N22 110.7(7) . . ? O5 C15 N22 171.7(8) . . ? C10 C15 N22 141.2(7) . . ? O6 C15 O6 97.9(5) . 1_455 ? C14 C15 O6 96.9(6) . 1_455 ? C11 C15 O6 79.9(3) . 1_455 ? O5 C15 O6 71.1(3) . 1_455 ? C10 C15 O6 70.8(3) . 1_455 ? N22 C15 O6 106.8(7) . 1_455 ? O6 C15 H15A 109.4 . . ? C14 C15 H15A 109.4 . . ? C11 C15 H15A 140.8 . . ? O5 C15 H15A 143.0 . . ? C10 C15 H15A 158.4 . . ? N22 C15 H15A 44.4 . . ? O6 C15 H15A 130.7 1_455 . ? O6 C15 H15B 109.3 . . ? C14 C15 H15B 109.3 . . ? C11 C15 H15B 99.7 . . ? O5 C15 H15B 90.4 . . ? C10 C15 H15B 93.5 . . ? N22 C15 H15B 89.3 . . ? O6 C15 H15B 22.7 1_455 . ? H15A C15 H15B 108.0 . . ? N25 Fe C24 170(2) . . ? N25 Fe C23 97.0(19) . . ? C24 Fe C23 92.8(15) . . ? N25 Fe C20 81(2) . . ? C24 Fe C20 89.0(16) . . ? C23 Fe C20 177.9(18) . . ? N25 Fe C22 93.1(15) . . ? C24 Fe C22 89.8(14) . . ? C23 Fe C22 91.2(15) . . ? C20 Fe C22 89.8(11) . . ? N25 Fe C21 89.1(14) . . ? C24 Fe C21 87.9(15) . . ? C23 Fe C21 89.9(14) . . ? C20 Fe C21 89.3(15) . . ? C22 Fe C21 177.5(16) . . ? N25 Fe O25 17(2) . 2_556 ? C24 Fe O25 153(2) . 2_556 ? C23 Fe O25 114(2) . 2_556 ? C20 Fe O25 64.5(18) . 2_556 ? C22 Fe O25 93.6(17) . 2_556 ? C21 Fe O25 88(2) . 2_556 ? N25 Fe N22 98(2) . 1_455 ? C24 Fe N22 73(2) . 1_455 ? C23 Fe N22 163.9(19) . 1_455 ? C20 Fe N22 18.1(15) . 1_455 ? C22 Fe N22 82.0(12) . 1_455 ? C21 Fe N22 96.4(19) . 1_455 ? O25 Fe N22 81.5(14) 2_556 1_455 ? N25 Fe N20 87.5(18) . 1_655 ? C24 Fe N20 95.2(18) . 1_655 ? C23 Fe N20 92.1(19) . 1_655 ? C20 Fe N20 88.6(14) . 1_655 ? C22 Fe N20 5.6(14) . 1_655 ? C21 Fe N20 176.2(17) . 1_655 ? O25 Fe N20 88.2(15) 2_556 1_655 ? N22 Fe N20 82.5(7) 1_455 1_655 ? N25 Fe O25 6(2) . . ? C24 Fe O25 173(2) . . ? C23 Fe O25 94(2) . . ? C20 Fe O25 83.9(18) . . ? C22 Fe O25 88.0(16) . . ? C21 Fe O25 94(2) . . ? O25 Fe O25 20(2) 2_556 . ? N22 Fe O25 100.0(14) 1_455 . ? N20 Fe O25 82.4(14) 1_655 . ? N25 Fe N23 106.8(18) . 1_455 ? C24 Fe N23 70.0(18) . 1_455 ? C23 Fe N23 90(2) . 1_455 ? C20 Fe N23 89.3(14) . 1_455 ? C22 Fe N23 159.7(14) . 1_455 ? C21 Fe N23 17.9(19) . 1_455 ? O25 Fe N23 104.2(15) 2_556 1_455 ? N22 Fe N23 91.0(9) 1_455 1_455 ? N20 Fe N23 165.1(12) 1_655 1_455 ? O25 Fe N23 112.0(14) . 1_455 ? N25 Fe C20 86(2) . 1_655 ? C24 Fe C20 100(2) . 1_655 ? C23 Fe C20 70(2) . 1_655 ? C20 Fe C20 110.7(17) . 1_655 ? C22 Fe C20 23.3(14) . 1_655 ? C21 Fe C20 159(2) . 1_655 ? O25 Fe C20 93.3(15) 2_556 1_655 ? N22 Fe C20 105.0(8) 1_455 1_655 ? N20 Fe C20 22.6(6) 1_655 1_655 ? O25 Fe C20 80.5(15) . 1_655 ? N23 Fe C20 157.9(8) 1_455 1_655 ? N25 Fe N24 168(2) . . ? C24 Fe N24 2(2) . . ? C23 Fe N24 94(2) . . ? C20 Fe N24 87.5(18) . . ? C22 Fe N24 89.4(17) . . ? C21 Fe N24 88(2) . . ? O25 Fe N24 151.8(16) 2_556 . ? N22 Fe N24 71.2(14) 1_455 . ? N20 Fe N24 94.8(13) 1_655 . ? O25 Fe N24 171.1(15) . . ? N23 Fe N24 70.4(14) 1_455 . ? C20 Fe N24 100.1(14) 1_655 . ? N25 Fe C23 92(2) . 1_455 ? C24 Fe C23 81(2) . 1_455 ? C23 Fe C23 110(2) . 1_455 ? C20 Fe C23 69.1(15) . 1_455 ? C22 Fe C23 157.0(16) . 1_455 ? C21 Fe C23 21(2) . 1_455 ? O25 Fe C23 85.4(16) 2_556 1_455 ? N22 Fe C23 75.1(9) 1_455 1_455 ? N20 Fe C23 157.5(7) 1_655 1_455 ? O25 Fe C23 98.1(16) . 1_455 ? N23 Fe C23 22.9(7) 1_455 1_455 ? C20 Fe C23 178.7(12) 1_655 1_455 ? N24 Fe C23 81.2(16) . 1_455 ? N25 Fe N21 83(2) . 1_655 ? C24 Fe N21 107(2) . 1_655 ? C23 Fe N21 15.3(19) . 1_655 ? C20 Fe N21 162.6(16) . 1_655 ? C22 Fe N21 97.6(13) . 1_655 ? C21 Fe N21 84.0(19) . 1_655 ? O25 Fe N21 99.2(15) 2_556 1_655 ? N22 Fe N21 179.3(10) 1_455 1_655 ? N20 Fe N21 97.1(7) 1_655 1_655 ? O25 Fe N21 80.6(14) . 1_655 ? N23 Fe N21 89.2(8) 1_455 1_655 ? C20 Fe N21 74.6(8) 1_655 1_655 ? N24 Fe N21 108.2(14) . 1_655 ? C23 Fe N21 105.2(9) 1_455 1_655 ? N22 C20 N20 37(2) 1_455 . ? N22 C20 C22 56(2) 1_455 1_455 ? N20 C20 C22 44(2) . 1_455 ? N22 C20 Fe 129(4) 1_455 . ? N20 C20 Fe 165(4) . . ? C22 C20 Fe 140(4) 1_455 . ? N22 C20 N25 162(4) 1_455 . ? N20 C20 N25 148(4) . . ? C22 C20 N25 142(4) 1_455 . ? Fe C20 N25 42.7(10) . . ? N22 C20 C24 90(4) 1_455 . ? N20 C20 C24 126(4) . . ? C22 C20 C24 109(4) 1_455 . ? Fe C20 C24 41.4(8) . . ? N25 C20 C24 84.0(11) . . ? N22 C20 O25 152(4) 1_455 2_556 ? N20 C20 O25 119(4) . 2_556 ? C22 C20 O25 123(3) 1_455 2_556 ? Fe C20 O25 72.4(17) . 2_556 ? N25 C20 O25 29.7(16) . 2_556 ? C24 C20 O25 113.6(18) . 2_556 ? N22 C20 C22 102(3) 1_455 . ? N20 C20 C22 124(4) . . ? C22 C20 C22 156(4) 1_455 . ? Fe C20 C22 45.3(8) . . ? N25 C20 C22 60.6(11) . . ? C24 C20 C22 58.0(9) . . ? O25 C20 C22 80.5(18) 2_556 . ? N22 C20 C21 131(4) 1_455 . ? N20 C20 C21 142(4) . . ? C22 C20 C21 98(4) 1_455 . ? Fe C20 C21 46.3(9) . . ? N25 C20 C21 59.0(11) . . ? C24 C20 C21 57.6(9) . . ? O25 C20 C21 77(2) 2_556 . ? C22 C20 C21 91.5(10) . . ? N22 C20 Fe 88(2) 1_455 1_455 ? N20 C20 Fe 78(3) . 1_455 ? C22 C20 Fe 35(2) 1_455 1_455 ? Fe C20 Fe 110.7(17) . 1_455 ? N25 C20 Fe 109.9(18) . 1_455 ? C24 C20 Fe 98.9(18) . 1_455 ? O25 C20 Fe 101.9(19) 2_556 1_455 ? C22 C20 Fe 154.4(16) . 1_455 ? C21 C20 Fe 64.8(17) . 1_455 ? N22 C20 C23 114(4) 1_455 1_455 ? N20 C20 C23 116(4) . 1_455 ? C22 C20 C23 72(3) 1_455 1_455 ? Fe C20 C23 71.8(10) . 1_455 ? N25 C20 C23 80.7(16) . 1_455 ? C24 C20 C23 70.7(15) . 1_455 ? O25 C20 C23 89(2) 2_556 1_455 ? C22 C20 C23 116.6(11) . 1_455 ? C21 C20 C23 26.2(10) . 1_455 ? Fe C20 C23 38.8(10) 1_455 1_455 ? N22 C20 N25 106(3) 1_455 1_455 ? N20 C20 N25 80(3) . 1_455 ? C22 C20 N25 51(2) 1_455 1_455 ? Fe C20 N25 113.2(18) . 1_455 ? N25 C20 N25 91.9(16) . 1_455 ? C24 C20 N25 121.2(18) . 1_455 ? O25 C20 N25 75.2(17) 2_556 1_455 ? C22 C20 N25 152.4(18) . 1_455 ? C21 C20 N25 70.3(17) . 1_455 ? Fe C20 N25 29.5(7) 1_455 1_455 ? C23 C20 N25 50.9(12) 1_455 1_455 ? N22 C20 O25 156(4) 1_455 . ? N20 C20 O25 130(4) . . ? C22 C20 O25 136(3) 1_455 . ? Fe C20 O25 59.9(13) . . ? N25 C20 O25 17.7(14) . . ? C24 C20 O25 101.3(14) . . ? O25 C20 O25 14(2) 2_556 . ? C22 C20 O25 68.0(14) . . ? C21 C20 O25 72.6(17) . . ? Fe C20 O25 110.6(17) 1_455 . ? C23 C20 O25 90.1(19) 1_455 . ? N25 C20 O25 86.3(16) 1_455 . ? N22 C20 N20 97(3) 1_455 1_655 ? N20 C20 N20 113(3) . 1_655 ? C22 C20 N20 153(3) 1_455 1_655 ? Fe C20 N20 56.9(10) . 1_655 ? N25 C20 N20 64.9(14) . 1_655 ? C24 C20 N20 69.0(13) . 1_655 ? O25 C20 N20 79.4(18) 2_556 1_655 ? C22 C20 N20 12.4(9) . 1_655 ? C21 C20 N20 103.2(12) . 1_655 ? Fe C20 N20 166.8(12) 1_455 1_655 ? C23 C20 N20 128.7(9) 1_455 1_655 ? N25 C20 N20 154.6(17) 1_455 1_655 ? O25 C20 N20 68.4(13) . 1_655 ? N22 C20 N24 74(3) 1_455 . ? N20 C20 N24 109(4) . . ? C22 C20 N24 95(3) 1_455 . ? Fe C20 N24 58.8(14) . . ? N25 C20 N24 101.5(15) . . ? C24 C20 N24 17.5(14) . . ? O25 C20 N24 131.1(17) 2_556 . ? C22 C20 N24 68.2(15) . . ? C21 C20 N24 67.9(16) . . ? Fe C20 N24 92.6(15) 1_455 . ? C23 C20 N24 73.7(18) 1_455 . ? N25 C20 N24 119.8(18) 1_455 . ? O25 C20 N24 118.7(13) . . ? N20 C20 N24 77.2(14) 1_655 . ? N22 N20 C22 89(4) 1_455 1_455 ? N22 N20 C20 70(4) 1_455 . ? C22 N20 C20 80(3) 1_455 . ? N22 N20 Fe 99(4) 1_455 1_455 ? C22 N20 Fe 11(3) 1_455 1_455 ? C20 N20 Fe 80(3) . 1_455 ? N22 N20 C4 118(5) 1_455 1_455 ? C22 N20 C4 107(3) 1_455 1_455 ? C20 N20 C4 169(4) . 1_455 ? Fe N20 C4 105.3(9) 1_455 1_455 ? N22 N20 Fe 61(4) 1_455 . ? C22 N20 Fe 84(3) 1_455 . ? C20 N20 Fe 10(3) . . ? Fe N20 Fe 85.4(7) 1_455 . ? C4 N20 Fe 169.2(13) 1_455 . ? N22 N20 N25 125(4) 1_455 1_455 ? C22 N20 N25 41(3) 1_455 1_455 ? C20 N20 N25 79(3) . 1_455 ? Fe N20 N25 29.4(6) 1_455 1_455 ? C4 N20 N25 100.4(13) 1_455 1_455 ? Fe N20 N25 88.1(12) . 1_455 ? N22 N20 O25 110(5) 1_455 2_556 ? C22 N20 O25 95(3) 1_455 2_556 ? C20 N20 O25 43(3) . 2_556 ? Fe N20 O25 87.2(13) 1_455 2_556 ? C4 N20 O25 126.9(13) 1_455 2_556 ? Fe N20 O25 50.6(10) . 2_556 ? N25 N20 O25 66.6(15) 1_455 2_556 ? N22 N20 N25 88(4) 1_455 . ? C22 N20 N25 91(3) 1_455 . ? C20 N20 N25 22(3) . . ? Fe N20 N25 86.9(11) 1_455 . ? C4 N20 N25 147.8(12) 1_455 . ? Fe N20 N25 28.4(5) . . ? N25 N20 N25 75.7(12) 1_455 . ? O25 N20 N25 22.2(10) 2_556 . ? N22 N20 C5 143(5) 1_455 1_455 ? C22 N20 C5 109(3) 1_455 1_455 ? C20 N20 C5 144(4) . 1_455 ? Fe N20 C5 102.5(9) 1_455 1_455 ? C4 N20 C5 26.6(3) 1_455 1_455 ? Fe N20 C5 150.3(11) . 1_455 ? N25 N20 C5 85.7(11) 1_455 1_455 ? O25 N20 C5 100.7(12) 2_556 1_455 ? N25 N20 C5 122.5(11) . 1_455 ? N22 N20 C24 33(4) 1_455 . ? C22 N20 C24 76(3) 1_455 . ? C20 N20 C24 38(3) . . ? Fe N20 C24 83.1(10) 1_455 . ? C4 N20 C24 150.9(13) 1_455 . ? Fe N20 C24 30.1(6) . . ? N25 N20 C24 99.9(12) 1_455 . ? O25 N20 C24 80.6(12) 2_556 . ? N25 N20 C24 58.4(7) . . ? C5 N20 C24 174.2(13) 1_455 . ? N22 N20 C20 117(5) 1_455 1_455 ? C22 N20 C20 38(3) 1_455 1_455 ? C20 N20 C20 113(3) . 1_455 ? Fe N20 C20 34.4(7) 1_455 1_455 ? C4 N20 C20 70.9(7) 1_455 1_455 ? Fe N20 C20 119.7(11) . 1_455 ? N25 N20 C20 40.4(11) 1_455 1_455 ? O25 N20 C20 106.4(16) 2_556 1_455 ? N25 N20 C20 115.4(14) . 1_455 ? C5 N20 C20 71.1(8) 1_455 1_455 ? C24 N20 C20 114.0(13) . 1_455 ? N22 N20 C24 76(4) 1_455 1_455 ? C22 N20 C24 18(3) 1_455 1_455 ? C20 N20 C24 87(3) . 1_455 ? Fe N20 C24 29.0(6) 1_455 1_455 ? C4 N20 C24 101.5(11) 1_455 1_455 ? Fe N20 C24 88.6(11) . 1_455 ? N25 N20 C24 58.1(8) 1_455 1_455 ? O25 N20 C24 111.0(15) 2_556 1_455 ? N25 N20 C24 102.9(12) . 1_455 ? C5 N20 C24 112.2(12) 1_455 1_455 ? C24 N20 C24 72.3(10) . 1_455 ? C20 N20 C24 43.4(8) 1_455 1_455 ? N22 N20 C4 81(4) 1_455 . ? C22 N20 C4 170(4) 1_455 . ? C20 N20 C4 99(3) . . ? Fe N20 C4 177.9(11) 1_455 . ? C4 N20 C4 76.1(7) 1_455 . ? Fe N20 C4 93.2(8) . . ? N25 N20 C4 149.2(12) 1_455 . ? O25 N20 C4 90.7(13) 2_556 . ? N25 N20 C4 91.1(11) . . ? C5 N20 C4 78.0(6) 1_455 . ? C24 N20 C4 96.4(11) . . ? C20 N20 C4 146.8(8) 1_455 . ? C24 N20 C4 152.7(12) 1_455 . ? N22 N20 C23 81(4) 1_455 1_455 ? C22 N20 C23 33(3) 1_455 1_455 ? C20 N20 C23 47(3) . 1_455 ? Fe N20 C23 33.1(8) 1_455 1_455 ? C4 N20 C23 138.4(12) 1_455 1_455 ? Fe N20 C23 52.3(8) . 1_455 ? N25 N20 C23 45.7(9) 1_455 1_455 ? O25 N20 C23 68.5(15) 2_556 1_455 ? N25 N20 C23 59.2(11) . 1_455 ? C5 N20 C23 131.2(13) 1_455 1_455 ? C24 N20 C23 54.5(11) . 1_455 ? C20 N20 C23 67.5(9) 1_455 1_455 ? C24 N20 C23 44.0(8) 1_455 1_455 ? C4 N20 C23 145.6(10) . 1_455 ? N23 C21 N21 71(3) 1_455 . ? N23 C21 C23 56(2) 1_455 1_455 ? N21 C21 C23 61(4) . 1_455 ? N23 C21 Fe 132(4) 1_455 . ? N21 C21 Fe 157(5) . . ? C23 C21 Fe 124(5) 1_455 . ? N23 C21 N25 169(4) 1_455 . ? N21 C21 N25 118(5) . . ? C23 C21 N25 121(5) 1_455 . ? Fe C21 N25 38.7(8) . . ? N23 C21 C24 91(4) 1_455 . ? N21 C21 C24 161(5) . . ? C23 C21 C24 105(5) 1_455 . ? Fe C21 C24 41.0(8) . . ? N25 C21 C24 79.3(9) . . ? N23 C21 C23 120(4) 1_455 . ? N21 C21 C23 136(6) . . ? C23 C21 C23 163(5) 1_455 . ? Fe C21 C23 43.9(9) . . ? N25 C21 C23 59.3(10) . . ? C24 C21 C23 58.5(10) . . ? N23 C21 C20 118(4) 1_455 . ? N21 C21 C20 126(5) . . ? C23 C21 C20 82(4) 1_455 . ? Fe C21 C20 44.5(9) . . ? N25 C21 C20 51.4(14) . . ? C24 C21 C20 56.9(9) . . ? C23 C21 C20 88.3(10) . . ? N23 C21 Fe 75(3) 1_455 1_455 ? N21 C21 Fe 75(4) . 1_455 ? C23 C21 Fe 23(3) 1_455 1_455 ? Fe C21 Fe 104(2) . 1_455 ? N25 C21 Fe 100(2) . 1_455 ? C24 C21 Fe 95(2) . 1_455 ? C23 C21 Fe 147.3(18) . 1_455 ? C20 C21 Fe 59.6(16) . 1_455 ? N23 C21 C22 98(4) 1_455 1_455 ? N21 C21 C22 109(5) . 1_455 ? C23 C21 C22 57(4) 1_455 1_455 ? Fe C21 C22 67.8(13) . 1_455 ? N25 C21 C22 72.9(16) . 1_455 ? C24 C21 C22 67.1(15) . 1_455 ? C23 C21 C22 111.3(12) . 1_455 ? C20 C21 C22 24.4(10) . 1_455 ? Fe C21 C22 36.0(9) 1_455 1_455 ? N23 C21 O25 159(4) 1_455 2_556 ? N21 C21 O25 103(4) . 2_556 ? C23 C21 O25 104(4) 1_455 2_556 ? Fe C21 O25 54.7(14) . 2_556 ? N25 C21 O25 20.0(14) . 2_556 ? C24 C21 O25 92.5(14) . 2_556 ? C23 C21 O25 79.1(16) . 2_556 ? C20 C21 O25 48.8(14) . 2_556 ? Fe C21 O25 83.8(16) 1_455 2_556 ? C22 C21 O25 64.2(14) 1_455 2_556 ? N23 C21 N21 121(4) 1_455 1_655 ? N21 C21 N21 116(5) . 1_655 ? C23 C21 N21 175(4) 1_455 1_655 ? Fe C21 N21 60.1(15) . 1_655 ? N25 C21 N21 62.8(17) . 1_655 ? C24 C21 N21 77.9(14) . 1_655 ? C23 C21 N21 19.7(13) . 1_655 ? C20 C21 N21 103.2(14) . 1_655 ? Fe C21 N21 162.0(15) 1_455 1_655 ? C22 C21 N21 127.4(10) 1_455 1_655 ? O25 C21 N21 80.1(17) 2_556 1_655 ? N23 C21 N24 74(3) 1_455 . ? N21 C21 N24 145(5) . . ? C23 C21 N24 94(4) 1_455 . ? Fe C21 N24 57.5(15) . . ? N25 C21 N24 95.6(14) . . ? C24 C21 N24 16.5(13) . . ? C23 C21 N24 69.9(17) . . ? C20 C21 N24 65.8(16) . . ? Fe C21 N24 89.2(17) 1_455 . ? C22 C21 N24 69.0(15) 1_455 . ? O25 C21 N24 107.3(16) 2_556 . ? N21 C21 N24 88.0(14) 1_655 . ? N23 C21 N25 96(3) 1_455 1_455 ? N21 C21 N25 66(4) . 1_455 ? C23 C21 N25 41(3) 1_455 1_455 ? Fe C21 N25 102.5(18) . 1_455 ? N25 C21 N25 82.5(16) . 1_455 ? C24 C21 N25 112(2) . 1_455 ? C23 C21 N25 141.4(16) . 1_455 ? C20 C21 N25 60.8(16) . 1_455 ? Fe C21 N25 27.2(8) 1_455 1_455 ? C22 C21 N25 45.1(11) 1_455 1_455 ? O25 C21 N25 63.4(13) 2_556 1_455 ? N21 C21 N25 142.0(17) 1_655 1_455 ? N24 C21 N25 112(2) . 1_455 ? N23 C21 N22 105(4) 1_455 1_455 ? N21 C21 N22 128(5) . 1_455 ? C23 C21 N22 74(4) 1_455 1_455 ? Fe C21 N22 50.0(13) . 1_455 ? N25 C21 N22 64.2(15) . 1_455 ? C24 C21 N22 50.4(14) . 1_455 ? C23 C21 N22 92.9(12) . 1_455 ? C20 C21 N22 13.4(13) . 1_455 ? Fe C21 N22 54.4(10) 1_455 1_455 ? C22 C21 N22 18.9(6) 1_455 1_455 ? O25 C21 N22 62.2(14) 2_556 1_455 ? N21 C21 N22 110.1(10) 1_655 1_455 ? N24 C21 N22 56.1(12) . 1_455 ? N25 C21 N22 62.7(13) 1_455 1_455 ? C21 N21 C23 66(3) . 1_455 ? C21 N21 N23 58(4) . 1_455 ? C23 N21 N23 54(3) 1_455 1_455 ? C21 N21 Fe 83(4) . 1_455 ? C23 N21 Fe 25(3) 1_455 1_455 ? N23 N21 Fe 77(3) 1_455 1_455 ? C21 N21 Fe 15(3) . . ? C23 N21 Fe 72(3) 1_455 . ? N23 N21 Fe 73(3) 1_455 . ? Fe N21 Fe 83.6(10) 1_455 . ? C21 N21 N25 44(4) . . ? C23 N21 N25 87(3) 1_455 . ? N23 N21 N25 102(3) 1_455 . ? Fe N21 N25 87.5(15) 1_455 . ? Fe N21 N25 29.1(5) . . ? C21 N21 N25 95(4) . 1_455 ? C23 N21 N25 53(3) 1_455 1_455 ? N23 N21 N25 107(3) 1_455 1_455 ? Fe N21 N25 29.6(7) 1_455 1_455 ? Fe N21 N25 88.6(13) . 1_455 ? N25 N21 N25 77.9(14) . 1_455 ? C21 N21 C13 143(4) . 1_456 ? C23 N21 C13 102(4) 1_455 1_456 ? N23 N21 C13 87(3) 1_455 1_456 ? Fe N21 C13 99.4(13) 1_455 1_456 ? Fe N21 C13 158.2(16) . 1_456 ? N25 N21 C13 170.1(19) . 1_456 ? N25 N21 C13 104.8(15) 1_455 1_456 ? C21 N21 C13 90(4) . 1_556 ? C23 N21 C13 136(3) 1_455 1_556 ? N23 N21 C13 82(3) 1_455 1_556 ? Fe N21 C13 159.2(17) 1_455 1_556 ? Fe N21 C13 95.1(12) . 1_556 ? N25 N21 C13 101.4(16) . 1_556 ? N25 N21 C13 170.8(17) 1_455 1_556 ? C13 N21 C13 74.4(9) 1_456 1_556 ? C21 N21 C21 116(5) . 1_455 ? C23 N21 C21 50(3) 1_455 1_455 ? N23 N21 C21 84(3) 1_455 1_455 ? Fe N21 C21 35.9(9) 1_455 1_455 ? Fe N21 C21 119.1(16) . 1_455 ? N25 N21 C21 121(2) . 1_455 ? N25 N21 C21 45.2(11) 1_455 1_455 ? C13 N21 C21 64.6(9) 1_456 1_455 ? C13 N21 C21 137.4(14) 1_556 1_455 ? C21 N21 C20 39(4) . . ? C23 N21 C20 48(3) 1_455 . ? N23 N21 C20 78(3) 1_455 . ? Fe N21 C20 51.9(8) 1_455 . ? Fe N21 C20 33.1(6) . . ? N25 N21 C20 39.5(11) . . ? N25 N21 C20 56.7(11) 1_455 . ? C13 N21 C20 149.5(19) 1_456 . ? C13 N21 C20 128.0(11) 1_556 . ? C21 N21 C20 87.7(14) 1_455 . ? C21 N21 C23 32(4) . . ? C23 N21 C23 98(3) 1_455 . ? N23 N21 C23 74(3) 1_455 . ? Fe N21 C23 114.4(11) 1_455 . ? Fe N21 C23 31.7(7) . . ? N25 N21 C23 44.5(9) . . ? N25 N21 C23 118.9(14) 1_455 . ? C13 N21 C23 135.6(17) 1_456 . ? C13 N21 C23 63.7(10) 1_556 . ? C21 N21 C23 148.0(15) 1_455 . ? C20 N21 C23 64.7(7) . . ? C21 N21 O2 128(5) . 2_556 ? C23 N21 O2 164(3) 1_455 2_556 ? N23 N21 O2 138(3) 1_455 2_556 ? Fe N21 O2 139.9(13) 1_455 2_556 ? Fe N21 O2 120.0(15) . 2_556 ? N25 N21 O2 99.3(15) . 2_556 ? N25 N21 O2 113.2(13) 1_455 2_556 ? C13 N21 O2 70.9(7) 1_456 2_556 ? C13 N21 O2 57.7(8) 1_556 2_556 ? C21 N21 O2 114.8(9) 1_455 2_556 ? C20 N21 O2 136.6(15) . 2_556 ? C23 N21 O2 96.8(15) . 2_556 ? C21 N21 C24 13(4) . . ? C23 N21 C24 57(3) 1_455 . ? N23 N21 C24 46(3) 1_455 . ? Fe N21 C24 76.9(12) 1_455 . ? Fe N21 C24 27.4(5) . . ? N25 N21 C24 56.2(6) . . ? N25 N21 C24 94.8(14) 1_455 . ? C13 N21 C24 132.1(15) 1_456 . ? C13 N21 C24 92.4(13) 1_556 . ? C21 N21 C24 106.4(17) 1_455 . ? C20 N21 C24 41.4(7) . . ? C23 N21 C24 42.0(7) . . ? O2 N21 C24 138.7(16) 2_556 . ? C21 N21 C12 121(4) . 1_456 ? C23 N21 C12 86(4) 1_455 1_456 ? N23 N21 C12 63(3) 1_455 1_456 ? Fe N21 C12 92.1(13) 1_455 1_456 ? Fe N21 C12 135.5(14) . 1_456 ? N25 N21 C12 164.5(13) . 1_456 ? N25 N21 C12 108.8(15) 1_455 1_456 ? C13 N21 C12 23.7(3) 1_456 1_456 ? C13 N21 C12 74.3(9) 1_556 1_456 ? C21 N21 C12 63.7(11) 1_455 1_456 ? C20 N21 C12 132.3(16) . 1_456 ? C23 N21 C12 123.0(16) . 1_456 ? O2 N21 C12 91.0(8) 2_556 1_456 ? C24 N21 C12 108.6(13) . 1_456 ? N20 C22 N22 37(3) 1_655 . ? N20 C22 C20 55.6(19) 1_655 1_655 ? N22 C22 C20 51(2) . 1_655 ? N20 C22 Fe 163(4) 1_655 . ? N22 C22 Fe 158(4) . . ? C20 C22 Fe 122(3) 1_655 . ? N20 C22 N25 125(4) 1_655 . ? N22 C22 N25 155(4) . . ? C20 C22 N25 106(3) 1_655 . ? Fe C22 N25 37.9(7) . . ? N20 C22 C24 155(4) 1_655 . ? N22 C22 C24 123(4) . . ? C20 C22 C24 130(4) 1_655 . ? Fe C22 C24 40.9(8) . . ? N25 C22 C24 78.4(9) . . ? N20 C22 C20 129(4) 1_655 . ? N22 C22 C20 149(4) . . ? C20 C22 C20 156(4) 1_655 . ? Fe C22 C20 45.0(7) . . ? N25 C22 C20 51.3(14) . . ? C24 C22 C20 57.2(9) . . ? N20 C22 C23 136(4) 1_655 . ? N22 C22 C23 118(4) . . ? C20 C22 C23 81(3) 1_655 . ? Fe C22 C23 44.0(9) . . ? N25 C22 C23 58.9(10) . . ? C24 C22 C23 58.6(10) . . ? C20 C22 C23 88.9(10) . . ? N20 C22 Fe 78(3) 1_655 1_655 ? N22 C22 Fe 63(3) . 1_655 ? C20 C22 Fe 24(2) 1_655 1_655 ? Fe C22 Fe 103.2(14) . 1_655 ? N25 C22 Fe 100.0(17) . 1_655 ? C24 C22 Fe 106.7(17) . 1_655 ? C20 C22 Fe 147.1(15) . 1_655 ? C23 C22 Fe 59.6(16) . 1_655 ? N20 C22 C21 113(3) 1_655 1_655 ? N22 C22 C21 98(3) . 1_655 ? C20 C22 C21 58(3) 1_655 1_655 ? Fe C22 C21 66.4(9) . 1_655 ? N25 C22 C21 72.1(15) . 1_655 ? C24 C22 C21 78.0(14) . 1_655 ? C20 C22 C21 111.0(10) . 1_655 ? C23 C22 C21 23.0(9) . 1_655 ? Fe C22 C21 36.7(9) 1_655 1_655 ? N20 C22 N22 120(3) 1_655 1_455 ? N22 C22 N22 130(4) . 1_455 ? C20 C22 N22 172(3) 1_655 1_455 ? Fe C22 N22 60.3(9) . 1_455 ? N25 C22 N22 71.3(14) . 1_455 ? C24 C22 N22 57.0(16) . 1_455 ? C20 C22 N22 20.0(10) . 1_455 ? C23 C22 N22 103.1(14) . 1_455 ? Fe C22 N22 162.2(13) 1_655 1_455 ? C21 C22 N22 126.1(11) 1_655 1_455 ? N20 C22 C24 87(3) 1_655 1_655 ? N22 C22 C24 56(3) . 1_655 ? C20 C22 C24 48(2) 1_655 1_655 ? Fe C22 C24 102.6(14) . 1_655 ? N25 C22 C24 118.7(18) . 1_655 ? C24 C22 C24 86.3(14) . 1_655 ? C20 C22 C24 142.6(14) . 1_655 ? C23 C22 C24 62.4(16) . 1_655 ? Fe C22 C24 30.6(6) 1_655 1_655 ? C21 C22 C24 46.6(11) 1_655 1_655 ? N22 C22 C24 140.5(14) 1_455 1_655 ? N20 C22 O25 106(4) 1_655 . ? N22 C22 O25 137(3) . . ? C20 C22 O25 93(3) 1_655 . ? Fe C22 O25 57.0(12) . . ? N25 C22 O25 19.3(12) . . ? C24 C22 O25 97.7(13) . . ? C20 C22 O25 63.4(14) . . ? C23 C22 O25 69.6(15) . . ? Fe C22 O25 94.3(13) 1_655 . ? C21 C22 O25 75.9(15) 1_655 . ? N22 C22 O25 82.0(13) 1_455 . ? C24 C22 O25 120.2(16) 1_655 . ? N20 C22 N25 73(3) 1_655 1_655 ? N22 C22 N25 75(3) . 1_655 ? C20 C22 N25 24(2) 1_655 1_655 ? Fe C22 N25 100.3(13) . 1_655 ? N25 C22 N25 81.7(14) . 1_655 ? C24 C22 N25 122.1(16) . 1_655 ? C20 C22 N25 133.0(13) . 1_655 ? C23 C22 N25 64.5(16) . 1_655 ? Fe C22 N25 27.1(6) 1_655 1_655 ? C21 C22 N25 44.1(10) 1_655 1_655 ? N22 C22 N25 152.7(10) 1_455 1_655 ? C24 C22 N25 57.7(8) 1_655 1_655 ? O25 C22 N25 70.9(12) . 1_655 ? N20 C22 O25 112(4) 1_655 2_556 ? N22 C22 O25 147(3) . 2_556 ? C20 C22 O25 109(3) 1_655 2_556 ? Fe C22 O25 51.9(11) . 2_556 ? N25 C22 O25 18.2(14) . 2_556 ? C24 C22 O25 89.6(13) . 2_556 ? C20 C22 O25 47.4(13) . 2_556 ? C23 C22 O25 77.0(15) . 2_556 ? Fe C22 O25 110.7(14) 1_655 2_556 ? C21 C22 O25 88.3(15) 1_655 2_556 ? N22 C22 O25 65.5(11) 1_455 2_556 ? C24 C22 O25 134.6(17) 1_655 2_556 ? O25 C22 O25 16.7(17) . 2_556 ? N25 C22 O25 87.6(11) 1_655 2_556 ? N20 N22 C20 74(4) 1_655 1_655 ? N20 N22 C22 54(3) 1_655 . ? C20 N22 C22 72(3) 1_655 . ? N20 N22 Fe 106(5) 1_655 1_655 ? C20 N22 Fe 33(3) 1_655 1_655 ? C22 N22 Fe 95(3) . 1_655 ? N20 N22 C24 139(5) 1_655 1_655 ? C20 N22 C24 66(3) 1_655 1_655 ? C22 N22 C24 103(3) . 1_655 ? Fe N22 C24 35.3(8) 1_655 1_655 ? N20 N22 Fe 68(4) 1_655 . ? C20 N22 Fe 71(2) 1_655 . ? C22 N22 Fe 14(2) . . ? Fe N22 Fe 86.8(10) 1_655 . ? C24 N22 Fe 90.0(14) 1_655 . ? N20 N22 C22 114(5) 1_655 1_655 ? C20 N22 C22 58(3) 1_655 1_655 ? C22 N22 C22 130(4) . 1_655 ? Fe N22 C22 37.7(8) 1_655 1_655 ? C24 N22 C22 50.8(11) 1_655 1_655 ? Fe N22 C22 124.2(15) . 1_655 ? N20 N22 N25 80(4) 1_655 1_655 ? C20 N22 N25 13(2) 1_655 1_655 ? C22 N22 N25 85(3) . 1_655 ? Fe N22 N25 27.7(7) 1_655 1_655 ? C24 N22 N25 63.0(11) 1_655 1_655 ? Fe N22 N25 83.0(11) . 1_655 ? C22 N22 N25 46.3(9) 1_655 1_655 ? N20 N22 C24 92(4) 1_655 . ? C20 N22 C24 93(3) 1_655 . ? C22 N22 C24 40(3) . . ? Fe N22 C24 95.6(15) 1_655 . ? C24 N22 C24 81.1(15) 1_655 . ? Fe N22 C24 29.9(6) . . ? C22 N22 C24 130.0(19) 1_655 . ? N25 N22 C24 104.0(13) 1_655 . ? N20 N22 C4 87(5) 1_655 1_655 ? C20 N22 C4 101(3) 1_655 1_655 ? C22 N22 C4 141(3) . 1_655 ? Fe N22 C4 99.2(10) 1_655 1_655 ? C24 N22 C4 109.3(14) 1_655 1_655 ? Fe N22 C4 154.4(14) . 1_655 ? C22 N22 C4 63.4(8) 1_655 1_655 ? N25 N22 C4 90.8(11) 1_655 1_655 ? C24 N22 C4 164.8(18) . 1_655 ? N20 N22 C4 52(4) 1_655 . ? C20 N22 C4 125(3) 1_655 . ? C22 N22 C4 81(3) . . ? Fe N22 C4 155.6(15) 1_655 . ? C24 N22 C4 169.0(16) 1_655 . ? Fe N22 C4 92.6(9) . . ? C22 N22 C4 133.9(13) 1_655 . ? N25 N22 C4 128.0(14) 1_655 . ? C24 N22 C4 96.0(14) . . ? C4 N22 C4 71.7(8) 1_655 . ? N20 N22 N24 156(5) 1_655 1_655 ? C20 N22 N24 88(3) 1_655 1_655 ? C22 N22 N24 106(3) . 1_655 ? Fe N22 N24 57.6(11) 1_655 1_655 ? C24 N22 N24 22.2(9) 1_655 1_655 ? Fe N22 N24 92.3(13) . 1_655 ? C22 N22 N24 66.1(14) 1_655 1_655 ? N25 N22 N24 85.2(13) 1_655 1_655 ? C24 N22 N24 73.3(14) . 1_655 ? C4 N22 N24 112.0(13) 1_655 1_655 ? C4 N22 N24 146.8(15) . 1_655 ? N20 N22 C23 88(4) 1_655 . ? C20 N22 C23 49(3) 1_655 . ? C22 N22 C23 45(3) . . ? Fe N22 C23 54.5(10) 1_655 . ? C24 N22 C23 59.2(13) 1_655 . ? Fe N22 C23 33.4(7) . . ? C22 N22 C23 92.2(14) 1_655 . ? N25 N22 C23 59.2(13) 1_655 . ? C24 N22 C23 44.9(9) . . ? C4 N22 C23 150.0(16) 1_655 . ? C4 N22 C23 125.4(11) . . ? N24 N22 C23 68.6(13) 1_655 . ? N20 N22 C15 118(5) 1_655 . ? C20 N22 C15 163(4) 1_655 . ? C22 N22 C15 104(3) . . ? Fe N22 C15 134.5(14) 1_655 . ? C24 N22 C15 99.4(13) 1_655 . ? Fe N22 C15 102.0(10) . . ? C22 N22 C15 120.2(11) 1_655 . ? N25 N22 C15 162.0(15) 1_655 . ? C24 N22 C15 75.4(10) . . ? C4 N22 C15 91.6(8) 1_655 . ? C4 N22 C15 69.5(8) . . ? N24 N22 C15 77.3(11) 1_655 . ? C23 N22 C15 116.8(14) . . ? N20 N22 O6 111(5) 1_655 . ? C20 N22 O6 168(3) 1_655 . ? C22 N22 O6 120(3) . . ? Fe N22 O6 139.7(11) 1_655 . ? C24 N22 O6 110.5(13) 1_655 . ? Fe N22 O6 121.6(12) . . ? C22 N22 O6 110.0(8) 1_655 . ? N25 N22 O6 155.2(10) 1_655 . ? C24 N22 O6 98.1(12) . . ? C4 N22 O6 68.2(6) 1_655 . ? C4 N22 O6 59.2(7) . . ? N24 N22 O6 90.6(12) 1_655 . ? C23 N22 O6 140.7(16) . . ? C15 N22 O6 23.8(3) . . ? N23 C23 N21 69(3) . 1_655 ? N23 C23 C21 60(3) . 1_655 ? N21 C23 C21 53(2) 1_655 1_655 ? N23 C23 Fe 148(5) . . ? N21 C23 Fe 140(4) 1_655 . ? C21 C23 Fe 142(5) 1_655 . ? N23 C23 C24 108(5) . . ? N21 C23 C24 164(5) 1_655 . ? C21 C23 C24 140(5) 1_655 . ? Fe C23 C24 40.0(8) . . ? N23 C23 N25 173(5) . . ? N21 C23 N25 105(4) 1_655 . ? C21 C23 N25 120(5) 1_655 . ? Fe C23 N25 36.7(9) . . ? C24 C23 N25 76.7(10) . . ? N23 C23 C21 122(5) . . ? N21 C23 C21 111(4) 1_655 . ? C21 C23 C21 163(5) 1_655 . ? Fe C23 C21 46.3(9) . . ? C24 C23 C21 56.9(9) . . ? N25 C23 C21 55.8(9) . . ? N23 C23 C22 130(5) . . ? N21 C23 C22 137(4) 1_655 . ? C21 C23 C22 100(4) 1_655 . ? Fe C23 C22 44.8(9) . . ? C24 C23 C22 57.0(9) . . ? N25 C23 C22 57.0(9) . . ? C21 C23 C22 91.1(10) . . ? N23 C23 C20 114(5) . 1_655 ? N21 C23 C20 114(4) 1_655 1_655 ? C21 C23 C20 72(4) 1_655 1_655 ? Fe C23 C20 71.2(14) . 1_655 ? C24 C23 C20 81.7(16) . 1_655 ? N25 C23 C20 71.2(15) . 1_655 ? C21 C23 C20 117.1(13) . 1_655 ? C22 C23 C20 27.6(10) . 1_655 ? N23 C23 Fe 80(4) . 1_655 ? N21 C23 Fe 85(3) 1_655 1_655 ? C21 C23 Fe 34(3) 1_655 1_655 ? Fe C23 Fe 110(2) . 1_655 ? C24 C23 Fe 111(2) . 1_655 ? N25 C23 Fe 103(2) . 1_655 ? C21 C23 Fe 156.0(19) . 1_655 ? C22 C23 Fe 65.9(17) . 1_655 ? C20 C23 Fe 39.1(10) 1_655 1_655 ? N23 C23 C24 65(4) . 1_655 ? N21 C23 C24 104(3) 1_655 1_655 ? C21 C23 C24 52(3) 1_655 1_655 ? Fe C23 C24 107(2) . 1_655 ? C24 C23 C24 87.9(17) . 1_655 ? N25 C23 C24 121(2) . 1_655 ? C21 C23 C24 144.7(19) . 1_655 ? C22 C23 C24 66.4(17) . 1_655 ? C20 C23 C24 49.8(13) 1_655 1_655 ? Fe C23 C24 31.9(8) 1_655 1_655 ? N23 C23 N25 98(4) . 1_655 ? N21 C23 N25 72(3) 1_655 1_655 ? C21 C23 N25 40(3) 1_655 1_655 ? Fe C23 N25 104.0(19) . 1_655 ? C24 C23 N25 124(2) . 1_655 ? N25 C23 N25 82.8(15) . 1_655 ? C21 C23 N25 138.2(16) . 1_655 ? C22 C23 N25 68.0(17) . 1_655 ? C20 C23 N25 42.3(13) 1_655 1_655 ? Fe C23 N25 27.9(7) 1_655 1_655 ? C24 C23 N25 59.6(11) 1_655 1_655 ? N23 C23 N23 106(4) . 1_455 ? N21 C23 N23 112(4) 1_655 1_455 ? C21 C23 N23 161(4) 1_655 1_455 ? Fe C23 N23 56.7(15) . 1_455 ? C24 C23 N23 52.8(16) . 1_455 ? N25 C23 N23 72.9(13) . 1_455 ? C21 C23 N23 17.4(13) . 1_455 ? C22 C23 N23 99.4(14) . 1_455 ? C20 C23 N23 127.0(12) 1_655 1_455 ? Fe C23 N23 163.3(18) 1_655 1_455 ? C24 C23 N23 136.3(17) 1_655 1_455 ? N25 C23 N23 155.5(10) 1_655 1_455 ? N23 C23 N22 114(4) . . ? N21 C23 N22 131(4) 1_655 . ? C21 C23 N22 85(4) 1_655 . ? Fe C23 N22 61.7(15) . . ? C24 C23 N22 65.2(15) . . ? N25 C23 N22 72.5(14) . . ? C21 C23 N22 107.6(14) . . ? C22 C23 N22 17.4(11) . . ? C20 C23 N22 16.9(11) 1_655 . ? Fe C23 N22 50.4(11) 1_655 . ? C24 C23 N22 49.4(14) 1_655 . ? N25 C23 N22 58.9(13) 1_655 . ? N23 C23 N22 113.8(14) 1_455 . ? N23 C23 N20 125(4) . 1_655 ? N21 C23 N20 128(4) 1_655 1_655 ? C21 C23 N20 89(4) 1_655 1_655 ? Fe C23 N20 54.8(14) . 1_655 ? C24 C23 N20 66.9(14) . 1_655 ? N25 C23 N20 61.2(13) . 1_655 ? C21 C23 N20 101.0(13) . 1_655 ? C22 C23 N20 10.8(10) . 1_655 ? C20 C23 N20 16.8(7) 1_655 1_655 ? Fe C23 N20 55.5(10) 1_655 1_655 ? C24 C23 N20 59.9(14) 1_655 1_655 ? N25 C23 N20 57.5(12) 1_655 1_655 ? N23 C23 N20 110.2(11) 1_455 1_655 ? N22 C23 N20 11.6(7) . 1_655 ? C21 N23 C23 65(3) 1_655 . ? C21 N23 N21 51(2) 1_655 1_655 ? C23 N23 N21 57(4) . 1_655 ? C21 N23 Fe 30(3) 1_655 1_655 ? C23 N23 Fe 77(4) . 1_655 ? N21 N23 Fe 81(3) 1_655 1_655 ? C21 N23 C24 64(3) 1_655 1_655 ? C23 N23 C24 93(4) . 1_655 ? N21 N23 C24 115(3) 1_655 1_655 ? Fe N23 C24 33.6(7) 1_655 1_655 ? C21 N23 Fe 81(3) 1_655 . ? C23 N23 Fe 20(3) . . ? N21 N23 Fe 76(3) 1_655 . ? Fe N23 Fe 85.2(10) 1_655 . ? C24 N23 Fe 90.4(16) 1_655 . ? C21 N23 C24 105(4) 1_655 . ? C23 N23 C24 52(3) . . ? N21 N23 C24 107(3) 1_655 . ? Fe N23 C24 95.9(14) 1_655 . ? C24 N23 C24 83.3(17) 1_655 . ? Fe N23 C24 31.6(6) . . ? C21 N23 C12 101(3) 1_655 1_656 ? C23 N23 C12 157(4) . 1_656 ? N21 N23 C12 100(3) 1_655 1_656 ? Fe N23 C12 100.2(12) 1_655 1_656 ? C24 N23 C12 96.6(15) 1_655 1_656 ? Fe N23 C12 172.9(19) . 1_656 ? C24 N23 C12 150.3(16) . 1_656 ? C21 N23 C12 146(4) 1_655 1_556 ? C23 N23 C12 106(4) . 1_556 ? N21 N23 C12 95(3) 1_655 1_556 ? Fe N23 C12 173.1(14) 1_655 1_556 ? C24 N23 C12 149.8(16) 1_655 1_556 ? Fe N23 C12 100.0(13) . 1_556 ? C24 N23 C12 90.9(15) . 1_556 ? C12 N23 C12 74.4(9) 1_656 1_556 ? C21 N23 C13 84(3) 1_655 1_656 ? C23 N23 C13 132(4) . 1_656 ? N21 N23 C13 75(3) 1_655 1_656 ? Fe N23 C13 95.1(12) 1_655 1_656 ? C24 N23 C13 106.0(16) 1_655 1_656 ? Fe N23 C13 150.4(15) . 1_656 ? C24 N23 C13 169(2) . 1_656 ? C12 N23 C13 25.3(3) 1_656 1_656 ? C12 N23 C13 78.2(9) 1_556 1_656 ? C21 N23 C23 43(3) 1_655 1_655 ? C23 N23 C23 106(4) . 1_655 ? N21 N23 C23 84(3) 1_655 1_655 ? Fe N23 C23 32.8(8) 1_655 1_655 ? C24 N23 C23 46.7(12) 1_655 1_655 ? Fe N23 C23 117.4(14) . 1_655 ? C24 N23 C23 126.6(19) . 1_655 ? C12 N23 C23 67.5(8) 1_656 1_655 ? C12 N23 C23 141.1(11) 1_556 1_655 ? C13 N23 C23 64.1(10) 1_656 1_655 ? C21 N23 N24 85(3) 1_655 1_655 ? C23 N23 N24 102(4) . 1_655 ? N21 N23 N24 136(3) 1_655 1_655 ? Fe N23 N24 55.3(11) 1_655 1_655 ? C24 N23 N24 21.7(8) 1_655 1_655 ? Fe N23 N24 92.6(13) . 1_655 ? C24 N23 N24 74.7(15) . 1_655 ? C12 N23 N24 94.3(14) 1_656 1_655 ? C12 N23 N24 128.5(15) 1_556 1_655 ? C13 N23 N24 111.9(14) 1_656 1_655 ? C23 N23 N24 63.6(15) 1_655 1_655 ? C21 N23 C20 44(3) 1_655 1_655 ? C23 N23 C20 48(4) . 1_655 ? N21 N23 C20 80(3) 1_655 1_655 ? Fe N23 C20 33.5(7) 1_655 1_655 ? C24 N23 C20 45.6(11) 1_655 1_655 ? Fe N23 C20 52.2(8) . 1_655 ? C24 N23 C20 64.7(11) . 1_655 ? C12 N23 C20 133.5(16) 1_656 1_655 ? C12 N23 C20 152.1(12) 1_556 1_655 ? C13 N23 C20 125.9(16) 1_656 1_655 ? C23 N23 C20 66.3(11) 1_655 1_655 ? N24 N23 C20 60.4(13) 1_655 1_655 ? C21 N23 C13 120(3) 1_655 1_556 ? C23 N23 C13 93(4) . 1_556 ? N21 N23 C13 70(3) 1_655 1_556 ? Fe N23 C13 150.4(16) 1_655 1_556 ? C24 N23 C13 173.7(15) 1_655 1_556 ? Fe N23 C13 94.8(12) . 1_556 ? C24 N23 C13 99.4(16) . 1_556 ? C12 N23 C13 78.2(9) 1_656 1_556 ? C12 N23 C13 25.3(4) 1_556 1_556 ? C13 N23 C13 70.7(8) 1_656 1_556 ? C23 N23 C13 132.4(15) 1_655 1_556 ? N24 N23 C13 153.8(16) 1_655 1_556 ? C20 N23 C13 140.7(13) 1_655 1_556 ? C21 N23 C21 104(3) 1_655 . ? C23 N23 C21 42(4) . . ? N21 N23 C21 73(3) 1_655 . ? Fe N23 C21 117.9(11) 1_655 . ? C24 N23 C21 123.5(18) 1_655 . ? Fe N23 C21 34.5(7) . . ? C24 N23 C21 44.6(9) . . ? C12 N23 C21 138.9(17) 1_656 . ? C12 N23 C21 66.4(10) 1_556 . ? C13 N23 C21 128.6(17) 1_656 . ? C23 N23 C21 146.8(13) 1_655 . ? N24 N23 C21 119.2(15) 1_655 . ? C20 N23 C21 86.2(9) 1_655 . ? C13 N23 C21 61.2(10) 1_556 . ? N24 C24 Fe 176(5) . . ? N24 C24 C20 127(4) . . ? Fe C24 C20 49.6(11) . . ? N24 C24 C21 130(4) . . ? Fe C24 C21 51.2(10) . . ? C20 C24 C21 65.6(10) . . ? N24 C24 C22 130(4) . . ? Fe C24 C22 49.3(9) . . ? C20 C24 C22 64.8(9) . . ? C21 C24 C22 100.5(11) . . ? N24 C24 C23 136(5) . . ? Fe C24 C23 47.2(10) . . ? C20 C24 C23 96.8(12) . . ? C21 C24 C23 64.6(10) . . ? C22 C24 C23 64.4(10) . . ? N24 C24 N22 104(4) . 1_455 ? Fe C24 N22 72.0(16) . 1_455 ? C20 C24 N22 23.4(12) . 1_455 ? C21 C24 N22 84.3(16) . 1_455 ? C22 C24 N22 72.2(15) . 1_455 ? C23 C24 N22 118.8(15) . 1_455 ? N24 C24 N23 104(4) . 1_455 ? Fe C24 N23 76.5(17) . 1_455 ? C20 C24 N23 81.0(16) . 1_455 ? C21 C24 N23 25.3(15) . 1_455 ? C22 C24 N23 125.8(14) . 1_455 ? C23 C24 N23 80.5(19) . 1_455 ? N22 C24 N23 92.9(16) 1_455 1_455 ? N24 C24 C23 113(4) . 1_455 ? Fe C24 C23 66.7(18) . 1_455 ? C20 C24 C23 59.6(17) . 1_455 ? C21 C24 C23 23.2(16) . 1_455 ? C22 C24 C23 113.1(17) . 1_455 ? C23 C24 C23 87.9(17) . 1_455 ? N22 C24 C23 71.4(13) 1_455 1_455 ? N23 C24 C23 21.8(7) 1_455 1_455 ? N24 C24 N25 172(5) . . ? Fe C24 N25 5.0(11) . . ? C20 C24 N25 44.9(12) . . ? C21 C24 N25 49.9(8) . . ? C22 C24 N25 50.9(7) . . ? C23 C24 N25 51.9(8) . . ? N22 C24 N25 67.5(15) 1_455 . ? N23 C24 N25 75.1(14) 1_455 . ? C23 C24 N25 63.8(16) 1_455 . ? N24 C24 C22 107(4) . 1_455 ? Fe C24 C22 69.5(16) . 1_455 ? C20 C24 C22 23.0(13) . 1_455 ? C21 C24 C22 66.4(18) . 1_455 ? C22 C24 C22 86.3(14) . 1_455 ? C23 C24 C22 115.2(16) . 1_455 ? N22 C24 C22 20.6(7) 1_455 1_455 ? N23 C24 C22 72.4(12) 1_455 1_455 ? C23 C24 C22 51.1(9) 1_455 1_455 ? N25 C24 C22 64.5(15) . 1_455 ? N24 C24 N23 116(4) . . ? Fe C24 N23 67.7(16) . . ? C20 C24 N23 117.3(14) . . ? C21 C24 N23 75.1(17) . . ? C22 C24 N23 77.4(16) . . ? C23 C24 N23 20.6(13) . . ? N22 C24 N23 139.3(13) 1_455 . ? N23 C24 N23 83.3(17) 1_455 . ? C23 C24 N23 97.1(14) 1_455 . ? N25 C24 N23 72.4(14) . . ? C22 C24 N23 134.5(14) 1_455 . ? N24 C24 N22 114(4) . . ? Fe C24 N22 65.5(14) . . ? C20 C24 N22 78.9(14) . . ? C21 C24 N22 116.4(15) . . ? C22 C24 N22 17.1(10) . . ? C23 C24 N22 69.8(17) . . ? N22 C24 N22 81.1(15) 1_455 . ? N23 C24 N22 141.5(13) 1_455 . ? C23 C24 N22 130.1(15) 1_455 . ? N25 C24 N22 67.5(12) . . ? C22 C24 N22 98.3(13) 1_455 . ? N23 C24 N22 77.4(16) . . ? N24 C24 N20 111(4) . . ? Fe C24 N20 65.1(16) . . ? C20 C24 N20 15.8(12) . . ? C21 C24 N20 76.9(16) . . ? C22 C24 N20 71.2(14) . . ? C23 C24 N20 112.2(14) . . ? N22 C24 N20 8.0(10) 1_455 . ? N23 C24 N20 87.3(14) 1_455 . ? C23 C24 N20 65.5(13) 1_455 . ? N25 C24 N20 60.4(14) . . ? C22 C24 N20 16.6(7) 1_455 . ? N23 C24 N20 132.7(11) . . ? N22 C24 N20 82.1(13) . . ? N24 C24 N20 123(4) . 1_655 ? Fe C24 N20 55.8(14) . 1_655 ? C20 C24 N20 67.7(13) . 1_655 ? C21 C24 N20 107.0(14) . 1_655 ? C22 C24 N20 6.6(11) . 1_655 ? C23 C24 N20 69.1(14) . 1_655 ? N22 C24 N20 72.3(13) 1_455 1_655 ? N23 C24 N20 132.3(13) 1_455 1_655 ? C23 C24 N20 118.7(16) 1_455 1_655 ? N25 C24 N20 57.3(12) . 1_655 ? C22 C24 N20 88.1(10) 1_455 1_655 ? N23 C24 N20 80.5(13) . 1_655 ? N22 C24 N20 11.8(7) . 1_655 ? N20 C24 N20 72.3(10) . 1_655 ? C24 N24 Fe 2(3) . . ? C24 N24 N22 53(3) . 1_455 ? Fe N24 N22 51.3(9) . 1_455 ? C24 N24 N23 54(3) . 1_455 ? Fe N24 N23 54.3(10) . 1_455 ? N22 N24 N23 74.0(11) 1_455 1_455 ? C24 N24 C21 34(3) . . ? Fe N24 C21 34.3(8) . . ? N22 N24 C21 62.6(12) 1_455 . ? N23 N24 C21 20.1(10) 1_455 . ? C24 N24 C20 36(3) . . ? Fe N24 C20 33.7(7) . . ? N22 N24 C20 18.4(8) 1_455 . ? N23 N24 C20 61.0(11) 1_455 . ? C21 N24 C20 46.3(8) . . ? C24 N24 C22 34(3) . . ? Fe N24 C22 33.2(6) . . ? N22 N24 C22 54.2(10) 1_455 . ? N23 N24 C22 87.6(10) 1_455 . ? C21 N24 C22 67.5(7) . . ? C20 N24 C22 45.8(7) . . ? C24 N24 C14 114(4) . 2_666 ? Fe N24 C14 115.8(15) . 2_666 ? N22 N24 C14 164.0(17) 1_455 2_666 ? N23 N24 C14 90.7(14) 1_455 2_666 ? C21 N24 C14 101.5(16) . 2_666 ? C20 N24 C14 146.5(15) . 2_666 ? C22 N24 C14 121.9(16) . 2_666 ? C24 N24 C23 29(3) . . ? Fe N24 C23 31.4(7) . . ? N22 N24 C23 82.5(10) 1_455 . ? N23 N24 C23 59.6(13) 1_455 . ? C21 N24 C23 45.0(8) . . ? C20 N24 C23 65.0(8) . . ? C22 N24 C23 44.9(8) . . ? C14 N24 C23 85.8(13) 2_666 . ? O25 N25 O25 46(4) 2_556 . ? O25 N25 Fe 142(5) 2_556 . ? O25 N25 Fe 167(5) . . ? O25 N25 C20 86(4) 2_556 . ? O25 N25 C20 129(4) . . ? Fe N25 C20 56.2(15) . . ? O25 N25 N25 23(2) 2_556 2_556 ? O25 N25 N25 23(2) . 2_556 ? Fe N25 N25 163(4) . 2_556 ? C20 N25 N25 108(4) . 2_556 ? O25 N25 C21 117(4) 2_556 . ? O25 N25 C21 139(4) . . ? Fe N25 C21 52.2(10) . . ? C20 N25 C21 69.6(13) . . ? N25 N25 C21 131(3) 2_556 . ? O25 N25 C22 122(4) 2_556 . ? O25 N25 C22 119(4) . . ? Fe N25 C22 49.1(10) . . ? C20 N25 C22 68.1(12) . . ? N25 N25 C22 124(3) 2_556 . ? C21 N25 C22 101.3(11) . . ? O25 N25 C23 171(4) 2_556 . ? O25 N25 C23 127(5) . . ? Fe N25 C23 46.4(12) . . ? C20 N25 C23 102.5(13) . . ? N25 N25 C23 149(4) 2_556 . ? C21 N25 C23 64.8(10) . . ? C22 N25 C23 64.1(10) . . ? O25 N25 N21 103(4) 2_556 . ? O25 N25 N21 121(3) . . ? Fe N25 N21 70.1(16) . . ? C20 N25 N21 78.1(19) . . ? N25 N25 N21 114(3) 2_556 . ? C21 N25 N21 17.9(13) . . ? C22 N25 N21 119.1(14) . . ? C23 N25 N21 76.7(17) . . ? O25 N25 N20 112(4) 2_556 1_655 ? O25 N25 N20 105(3) . 1_655 ? Fe N25 N20 63.1(14) . 1_655 ? C20 N25 N20 74.7(15) . 1_655 ? N25 N25 N20 110(2) 2_556 1_655 ? C21 N25 N20 115.3(14) . 1_655 ? C22 N25 N20 14.0(11) . 1_655 ? C23 N25 N20 73.0(15) . 1_655 ? N21 N25 N20 133.1(12) . 1_655 ? O25 N25 C24 137(4) 2_556 . ? O25 N25 C24 170(4) . . ? Fe N25 C24 5.3(12) . . ? C20 N25 C24 51.1(9) . . ? N25 N25 C24 159(4) 2_556 . ? C21 N25 C24 50.8(8) . . ? C22 N25 C24 50.7(8) . . ? C23 N25 C24 51.4(8) . . ? N21 N25 C24 68.6(14) . . ? N20 N25 C24 64.6(12) 1_655 . ? O25 N25 N21 149(4) 2_556 1_655 ? O25 N25 N21 107(4) . 1_655 ? Fe N25 N21 67.7(18) . 1_655 ? C20 N25 N21 123.5(16) . 1_655 ? N25 N25 N21 129(3) 2_556 1_655 ? C21 N25 N21 72.1(19) . 1_655 ? C22 N25 N21 80.7(15) . 1_655 ? C23 N25 N21 21.8(16) . 1_655 ? N21 N25 N21 77.9(14) . 1_655 ? N20 N25 N21 86.3(12) 1_655 1_655 ? C24 N25 N21 72.5(16) . 1_655 ? O25 N25 C20 125(4) 2_556 1_655 ? O25 N25 C20 103(4) . 1_655 ? Fe N25 C20 64.2(16) . 1_655 ? C20 N25 C20 91.9(17) . 1_655 ? N25 N25 C20 115(3) 2_556 1_655 ? C21 N25 C20 113.5(17) . 1_655 ? C22 N25 C20 23.9(12) . 1_655 ? C23 N25 C20 57.9(17) . 1_655 ? N21 N25 C20 130.2(15) . 1_655 ? N20 N25 C20 20.2(6) 1_655 1_655 ? C24 N25 C20 67.6(15) . 1_655 ? N21 N25 C20 67.6(12) 1_655 1_655 ? O25 N25 N20 76(3) 2_556 . ? O25 N25 N20 119(4) . . ? Fe N25 N20 66.1(18) . . ? C20 N25 N20 10.4(13) . . ? N25 N25 N20 98(3) 2_556 . ? C21 N25 N20 77.8(17) . . ? C22 N25 N20 71.6(15) . . ? C23 N25 N20 112.4(16) . . ? N21 N25 N20 84.1(16) . . ? N20 N25 N20 75.7(12) 1_655 . ? C24 N25 N20 61.1(14) . . ? N21 N25 N20 133.6(13) 1_655 . ? C20 N25 N20 94.5(13) 1_655 . ? O25 N25 N22 88(3) 2_556 1_455 ? O25 N25 N22 129(4) . 1_455 ? Fe N25 N22 54.4(17) . 1_455 ? C20 N25 N22 5.9(11) . 1_455 ? N25 N25 N22 109(3) 2_556 1_455 ? C21 N25 N22 73.4(16) . 1_455 ? C22 N25 N22 62.4(12) . 1_455 ? C23 N25 N22 100.6(16) . 1_455 ? N21 N25 N22 83.0(15) . 1_455 ? N20 N25 N22 68.7(10) 1_655 1_455 ? C24 N25 N22 49.6(14) . 1_455 ? N21 N25 N22 122.0(13) 1_655 1_455 ? C20 N25 N22 86.1(10) 1_655 1_455 ? N20 N25 N22 12.1(8) . 1_455 ? O25 O25 N25 68(5) 2_556 2_556 ? O25 O25 N25 66(3) 2_556 . ? N25 O25 N25 134(4) 2_556 . ? O25 O25 C20 129(5) 2_556 2_556 ? N25 O25 C20 64(3) 2_556 2_556 ? N25 O25 C20 156(5) . 2_556 ? O25 O25 Fe 88(4) 2_556 2_556 ? N25 O25 Fe 21(2) 2_556 2_556 ? N25 O25 Fe 154(4) . 2_556 ? C20 O25 Fe 43.2(8) 2_556 2_556 ? O25 O25 Fe 71(3) 2_556 . ? N25 O25 Fe 139(4) 2_556 . ? N25 O25 Fe 7(3) . . ? C20 O25 Fe 156(2) 2_556 . ? Fe O25 Fe 160(2) 2_556 . ? O25 O25 O25 143(8) 2_556 2_656 ? N25 O25 O25 121(4) 2_556 2_656 ? N25 O25 O25 96(4) . 2_656 ? C20 O25 O25 79.8(17) 2_556 2_656 ? Fe O25 O25 107.8(16) 2_556 2_656 ? Fe O25 O25 89.2(15) . 2_656 ? O25 O25 N20 143(6) 2_556 2_556 ? N25 O25 N20 81(3) 2_556 2_556 ? N25 O25 N20 140(4) . 2_556 ? C20 O25 N20 17.6(9) 2_556 2_556 ? Fe O25 N20 60.5(8) 2_556 2_556 ? Fe O25 N20 138(2) . 2_556 ? O25 O25 N20 71.6(16) 2_656 2_556 ? O25 O25 C20 37(3) 2_556 . ? N25 O25 C20 103(4) 2_556 . ? N25 O25 C20 33(3) . . ? C20 O25 C20 166(2) 2_556 . ? Fe O25 C20 124.1(19) 2_556 . ? Fe O25 C20 36.1(7) . . ? O25 O25 C20 112(2) 2_656 . ? N20 O25 C20 170(2) 2_556 . ? O25 O25 C22 84(5) 2_556 . ? N25 O25 C22 132(4) 2_556 . ? N25 O25 C22 41(3) . . ? C20 O25 C22 143(2) 2_556 . ? Fe O25 C22 145(2) 2_556 . ? Fe O25 C22 35.0(7) . . ? O25 O25 C22 63.8(15) 2_656 . ? N20 O25 C22 133.7(19) 2_556 . ? C20 O25 C22 48.6(8) . . ? O25 O25 C22 80(5) 2_556 2_556 ? N25 O25 C22 39(3) 2_556 2_556 ? N25 O25 C22 129(4) . 2_556 ? C20 O25 C22 52.1(11) 2_556 2_556 ? Fe O25 C22 34.6(8) 2_556 2_556 ? Fe O25 C22 136.0(19) . 2_556 ? O25 O25 C22 131.8(16) 2_656 2_556 ? N20 O25 C22 63.0(11) 2_556 2_556 ? C20 O25 C22 115.2(17) . 2_556 ? C22 O25 C22 163.3(17) . 2_556 ? O25 O25 C21 99(6) 2_556 2_556 ? N25 O25 C21 43(3) 2_556 2_556 ? N25 O25 C21 148(4) . 2_556 ? C20 O25 C21 54.5(12) 2_556 2_556 ? Fe O25 C21 37.2(8) 2_556 2_556 ? Fe O25 C21 144(2) . 2_556 ? O25 O25 C21 77.8(18) 2_656 2_556 ? N20 O25 C21 69.0(13) 2_556 2_556 ? C20 O25 C21 120(2) . 2_556 ? C22 O25 C21 111.3(18) . 2_556 ? C22 O25 C21 71.7(10) 2_556 2_556 ? O25 O25 C22 147(5) 2_556 2_656 ? N25 O25 C22 79(3) 2_556 2_656 ? N25 O25 C22 146(4) . 2_656 ? C20 O25 C22 19.0(8) 2_556 2_656 ? Fe O25 C22 58.5(8) 2_556 2_656 ? Fe O25 C22 141.8(19) . 2_656 ? O25 O25 C22 61.0(12) 2_656 2_656 ? N20 O25 C22 15.9(7) 2_556 2_656 ? C20 O25 C22 173(2) . 2_656 ? C22 O25 C22 124.9(17) . 2_656 ? C22 O25 C22 71.1(9) 2_556 2_656 ? C21 O25 C22 56.9(15) 2_556 2_656 ? O25 O25 N22 133(5) 2_556 2_656 ? N25 O25 N22 71(3) 2_556 2_656 ? N25 O25 N22 148(4) . 2_656 ? C20 O25 N22 8.4(12) 2_556 2_656 ? Fe O25 N22 50.1(9) 2_556 2_656 ? Fe O25 N22 148(2) . 2_656 ? O25 O25 N22 79.5(15) 2_656 2_656 ? N20 O25 N22 10.7(7) 2_556 2_656 ? C20 O25 N22 168(2) . 2_656 ? C22 O25 N22 142.9(18) . 2_656 ? C22 O25 N22 53.6(10) 2_556 2_656 ? C21 O25 N22 62.8(13) 2_556 2_656 ? C22 O25 N22 19.1(5) 2_656 2_656 ? O25 O25 C23 103(4) 2_556 . ? N25 O25 C23 170(4) 2_556 . ? N25 O25 C23 36(3) . . ? C20 O25 C23 123(2) 2_556 . ? Fe O25 C23 166(2) 2_556 . ? Fe O25 C23 32.6(8) . . ? O25 O25 C23 68.9(17) 2_656 . ? N20 O25 C23 105.8(17) 2_556 . ? C20 O25 C23 68.7(8) . . ? C22 O25 C23 46.8(9) . . ? C22 O25 C23 138(2) 2_556 . ? C21 O25 C23 145.9(19) 2_556 . ? C22 O25 C23 109.7(18) 2_656 . ? N22 O25 C23 116.0(18) 2_656 . ? _diffrn_measured_fraction_theta_max 0.664 _diffrn_reflns_theta_full 25.03 _diffrn_measured_fraction_theta_full 0.664 _refine_diff_density_max 0.920 _refine_diff_density_min -0.479 _refine_diff_density_rms 0.135