Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2001 data_General _audit_creation_date 'Mon Oct 16 15:33:12 2000' _audit_creation_method 'by teXsan' _audit_update_record ? #------------------------------------------------------------------------------ # PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_coeditor_code ? #------------------------------------------------------------------------------ # SUBMISSION DETAILS _publ_contact_author_name ' Prof Yoichi Habata' _publ_contact_author_address ; Prof Yoichi Habata Department of Chemistry Toho University Faculty of Science Funabashi Chiba 274-8510 JAPAN ; _publ_contact_letter ; ENTER TEXT OF LETTER ; _journal_coden_Cambridge 182 _publ_requested_journal 'Chemical Communications' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? #------------------------------------------------------------------------------ # TITLE AND AUTHOR LIST _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; loop_ _publ_author_name 'Akabori, Sadatoshi' 'Habata, Yoichi' 'Yamashita, Yoshitomo' _publ_section_synopsis ; ENTER SYNOPSIS ; #------------------------------------------------------------------------------ # TEXT _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation, Rigaku Corporation. (1999). teXsan. Single Crystal Structure Analysis Software. Version 1.10. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Rigaku, 3-9-12 Akishima, Tokyo, Japan. North, A.C.T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359. ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ; #------------------------------------------------------------------------------ data_haba068_aza15pPyAgTf _database_code_CSD 154473 #------------------------------------------------------------------------------ # CHEMICAL DATA _chemical_formula_sum 'C17 H26 Ag F3 N2 O7 S ' _chemical_formula_moiety '?' _chemical_formula_weight 567.32 _chemical_melting_point ? #------------------------------------------------------------------------------ # CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2+x,1/2-y,1/2+z _cell_length_a 12.00(1) _cell_length_b 14.988(5) _cell_length_c 13.697(6) _cell_angle_alpha 90 _cell_angle_beta 113.61(3) _cell_angle_gamma 90 _cell_volume 2257(1) _cell_formula_units_Z 4 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 14.2 _cell_measurement_theta_max 14.9 _cell_measurement_temperature 296.2 #------------------------------------------------------------------------------ _exptl_crystal_description 'prismatic' _exptl_crystal_colour 'colorless' _exptl_crystal_size_max 0.500 _exptl_crystal_size_mid 0.400 _exptl_crystal_size_min 0.300 _exptl_crystal_size_rad ? _exptl_crystal_density_diffrn 1.669 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_absorpt_coefficient_mu 1.047 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_process_details '(North, Phillips & Mathews, 1968)' _exptl_absorpt_correction_T_min 0.918 _exptl_absorpt_correction_T_max 0.999 #------------------------------------------------------------------------------ # EXPERIMENTAL DATA _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_measurement_device_type 'Rigaku AFC5S' _diffrn_measurement_method \w-2\q _diffrn_reflns_number 5629 _diffrn_reflns_av_R_equivalents 0.017 _diffrn_reflns_theta_max 27.50 _diffrn_measured_fraction_theta_max 0.9971 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.9971 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 0 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 17 _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 0.20 #------------------------------------------------------------------------------ # REFINEMENT DATA _refine_special_details ; Refinement using reflections with F^2^ > -10.0 sigma(F^2^). The weighted R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are based on F. The threshold expression of F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt). ; _reflns_number_total 5171 _reflns_number_gt 2916 _reflns_threshold_expression F^2^>2.0\s(F^2^) _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_gt 0.0530 _refine_ls_wR_factor_ref 0.1512 _refine_ls_hydrogen_treatment noref _refine_ls_number_reflns 5155 _refine_ls_number_parameters 280 _refine_ls_goodness_of_fit_ref 1.376 _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]' _refine_ls_shift/su_max 0.0019 _refine_diff_density_max 0.78 _refine_diff_density_min -0.86 _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; 'N' 'N' 0.006 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'F' 'F' 0.017 0.010 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'Ag' 'Ag' -0.897 1.101 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'S' 'S' 0.125 0.123 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #------------------------------------------------------------------------------ # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS 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 Ag(1) Ag 0.59154(4) 0.44611(3) 0.26393(3) 0.0631(1) Uani 1.00 d . . . S(1) S 0.4431(1) 0.0689(1) 0.7347(1) 0.0597(4) Uani 1.00 d . . . F(1) F 0.5300(5) 0.0803(6) 0.5902(5) 0.194(3) Uani 1.00 d . . . F(2) F 0.3852(8) 0.1624(5) 0.5620(4) 0.186(3) Uani 1.00 d . . . F(3) F 0.3594(4) 0.0232(3) 0.5337(3) 0.108(2) Uani 1.00 d . . . O(1) O 0.3885(4) 0.5029(3) 0.2716(3) 0.071(1) Uani 1.00 d . . . O(2) O 0.4295(6) 0.3240(5) 0.318(1) 0.254(5) Uani 1.00 d . . . O(3) O 0.6727(4) 0.2898(3) 0.3829(4) 0.079(1) Uani 1.00 d . . . O(4) O 0.7370(4) 0.4659(3) 0.4473(3) 0.066(1) Uani 1.00 d . . . O(5) O 0.5337(3) 0.1316(3) 0.7950(3) 0.070(1) Uani 1.00 d . . . O(6) O 0.4750(7) -0.0201(4) 0.7578(5) 0.144(2) Uani 1.00 d . . . O(7) O 0.3239(4) 0.0897(4) 0.7238(4) 0.104(2) Uani 1.00 d . . . N(1) N 0.6078(4) 0.6103(3) 0.3022(3) 0.053(1) Uani 1.00 d . . . N(2) N 0.4955(4) 0.6079(3) -0.0980(3) 0.049(1) Uani 1.00 d . . . C(1) C 0.4848(6) 0.6439(4) 0.2843(5) 0.070(2) Uani 1.00 d . . . C(2) C 0.4127(6) 0.5842(5) 0.3269(5) 0.082(2) Uani 1.00 d . . . C(3) C 0.3146(7) 0.4468(7) 0.3054(8) 0.109(3) Uani 1.00 d . . . C(4) C 0.3162(7) 0.3559(6) 0.2676(8) 0.103(3) Uani 1.00 d . . . C(5) C 0.4671(7) 0.2480(6) 0.3280(8) 0.110(3) Uani 1.00 d . . . C(6) C 0.5891(8) 0.2211(5) 0.3795(9) 0.130(4) Uani 1.00 d . . . C(7) C 0.7524(7) 0.3121(5) 0.4866(5) 0.078(2) Uani 1.00 d . . . C(8) C 0.8214(6) 0.3934(5) 0.4834(5) 0.078(2) Uani 1.00 d . . . C(9) C 0.7916(6) 0.5513(5) 0.4495(4) 0.072(2) Uani 1.00 d . . . C(10) C 0.6917(6) 0.6189(4) 0.4150(4) 0.067(2) Uani 1.00 d . . . C(11) C 0.6575(5) 0.6649(4) 0.2378(4) 0.058(2) Uani 1.00 d . . . C(12) C 0.5987(4) 0.6460(3) 0.1207(4) 0.047(1) Uani 1.00 d . . . C(13) C 0.4988(5) 0.6932(3) 0.0501(4) 0.054(2) Uani 1.00 d . . . C(14) C 0.4501(5) 0.6708(4) -0.0567(4) 0.056(2) Uani 1.00 d . . . C(15) C 0.5933(4) 0.5638(3) -0.0321(4) 0.048(1) Uani 1.00 d . . . C(16) C 0.6451(4) 0.5797(3) 0.0769(4) 0.049(1) Uani 1.00 d . . . C(17) C 0.4328(7) 0.0799(6) 0.6010(6) 0.084(2) Uani 1.00 d . . . H(1) H 0.4943 0.7017 0.3164 0.0870 Uiso 1.00 calc . . . H(2) H 0.4406 0.6497 0.2097 0.0870 Uiso 1.00 calc . . . H(3) H 0.3382 0.6123 0.3214 0.0939 Uiso 1.00 calc . . . H(4) H 0.4590 0.5734 0.4040 0.0939 Uiso 1.00 calc . . . H(5) H 0.3453 0.4459 0.3833 0.1275 Uiso 1.00 calc . . . H(6) H 0.2333 0.4694 0.2801 0.1275 Uiso 1.00 calc . . . H(7) H 0.2973 0.3571 0.1932 0.1188 Uiso 1.00 calc . . . H(8) H 0.2569 0.3195 0.2794 0.1188 Uiso 1.00 calc . . . H(9) H 0.4234 0.2161 0.3656 0.1368 Uiso 1.00 calc . . . H(10) H 0.4373 0.2273 0.2584 0.1368 Uiso 1.00 calc . . . H(11) H 0.6013 0.1719 0.3426 0.1582 Uiso 1.00 calc . . . H(12) H 0.6049 0.2044 0.4514 0.1582 Uiso 1.00 calc . . . H(13) H 0.7096 0.3245 0.5313 0.0902 Uiso 1.00 calc . . . H(14) H 0.8089 0.2648 0.5192 0.0902 Uiso 1.00 calc . . . H(15) H 0.8608 0.3849 0.4351 0.0929 Uiso 1.00 calc . . . H(16) H 0.8841 0.4073 0.5523 0.0929 Uiso 1.00 calc . . . H(17) H 0.8506 0.5648 0.5197 0.0871 Uiso 1.00 calc . . . H(18) H 0.8325 0.5522 0.4019 0.0871 Uiso 1.00 calc . . . H(19) H 0.7264 0.6773 0.4266 0.0787 Uiso 1.00 calc . . . H(20) H 0.6466 0.6117 0.4584 0.0787 Uiso 1.00 calc . . . H(21) H 0.6469 0.7268 0.2493 0.0701 Uiso 1.00 calc . . . H(22) H 0.7426 0.6533 0.2616 0.0701 Uiso 1.00 calc . . . H(23) H 0.4637 0.7421 0.0771 0.0646 Uiso 1.00 calc . . . H(24) H 0.3792 0.7039 -0.1046 0.0666 Uiso 1.00 calc . . . H(25) H 0.6293 0.5196 -0.0617 0.0592 Uiso 1.00 calc . . . H(26) H 0.7118 0.5441 0.1228 0.0584 Uiso 1.00 calc . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag(1) 0.0571(3) 0.0731(3) 0.0475(2) -0.0050(2) 0.0087(2) -0.0065(2) S(1) 0.0605(8) 0.0636(10) 0.0508(7) -0.0060(7) 0.0178(6) -0.0069(6) F(1) 0.122(4) 0.37(1) 0.128(4) -0.109(6) 0.089(4) -0.123(6) F(2) 0.33(1) 0.136(5) 0.089(4) -0.004(6) 0.077(5) 0.008(4) F(3) 0.111(3) 0.148(4) 0.067(2) -0.055(3) 0.039(2) -0.049(3) O(1) 0.062(2) 0.086(3) 0.075(3) -0.007(2) 0.040(2) 0.001(2) O(2) 0.086(4) 0.135(6) 0.55(2) 0.041(4) 0.139(7) 0.175(9) O(3) 0.073(3) 0.072(3) 0.091(3) 0.002(2) 0.031(2) 0.009(2) O(4) 0.062(2) 0.068(3) 0.056(2) 0.007(2) 0.012(2) -0.003(2) O(5) 0.066(2) 0.074(3) 0.061(2) -0.013(2) 0.016(2) -0.014(2) O(6) 0.212(7) 0.070(3) 0.093(4) 0.015(4) 0.001(4) -0.003(3) O(7) 0.063(3) 0.164(5) 0.092(3) -0.026(3) 0.037(3) -0.049(3) N(1) 0.060(3) 0.053(3) 0.046(2) -0.002(2) 0.021(2) -0.005(2) N(2) 0.044(2) 0.047(3) 0.049(2) -0.006(2) 0.011(2) 0.000(2) C(1) 0.075(4) 0.073(4) 0.073(4) 0.005(3) 0.039(3) -0.007(3) C(2) 0.080(4) 0.112(6) 0.072(4) 0.016(4) 0.049(4) 0.011(4) C(3) 0.073(5) 0.152(9) 0.117(6) -0.012(5) 0.052(5) 0.020(6) C(4) 0.074(5) 0.087(6) 0.165(8) 0.009(4) 0.067(5) 0.038(6) C(5) 0.082(5) 0.077(5) 0.164(8) -0.004(4) 0.041(6) -0.003(6) C(6) 0.087(6) 0.067(5) 0.23(1) -0.005(4) 0.054(7) 0.045(6) C(7) 0.104(5) 0.075(4) 0.060(4) 0.037(4) 0.039(4) 0.020(3) C(8) 0.068(4) 0.094(5) 0.052(3) 0.022(4) 0.003(3) -0.011(3) C(9) 0.074(4) 0.084(5) 0.044(3) -0.016(4) 0.008(3) -0.009(3) C(10) 0.090(4) 0.057(4) 0.052(3) -0.016(3) 0.026(3) -0.020(3) C(11) 0.062(3) 0.058(3) 0.046(3) -0.013(3) 0.014(2) -0.006(2) C(12) 0.048(3) 0.045(3) 0.045(2) -0.009(2) 0.015(2) 0.001(2) C(13) 0.056(3) 0.050(3) 0.056(3) 0.004(2) 0.020(2) -0.001(3) C(14) 0.051(3) 0.053(3) 0.054(3) 0.005(3) 0.012(2) 0.003(3) C(15) 0.046(3) 0.049(3) 0.047(3) 0.000(2) 0.017(2) -0.004(2) C(16) 0.039(2) 0.052(3) 0.050(3) 0.000(2) 0.012(2) 0.007(2) C(17) 0.091(5) 0.092(6) 0.074(4) -0.024(4) 0.036(4) -0.028(4) #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan Ver. 1.10' _computing_structure_solution SIR92 _computing_structure_refinement 'teXsan Ver. 1.10' _computing_publication_material 'teXsan Ver. 1.10' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag(1) O(1) 2.623(4) . . yes Ag(1) O(2) 2.975(6) . . yes Ag(1) O(3) 2.797(4) . . yes Ag(1) O(4) 2.435(4) . . yes Ag(1) O(7) 3.098(5) . 4_554 yes Ag(1) N(1) 2.507(4) . . yes Ag(1) N(2) 2.238(4) . 3_665 yes Ag(1) C(9) 3.134(6) . . yes Ag(1) C(15) 3.063(5) . 3_665 yes Ag(1) H(25) 3.013 . 3_665 no S(1) F(1) 2.587(5) . . yes S(1) F(2) 2.594(6) . . yes S(1) F(3) 2.616(4) . . yes S(1) O(5) 1.425(4) . . yes S(1) O(6) 1.388(6) . . yes S(1) O(7) 1.411(5) . . yes S(1) C(17) 1.794(7) . . yes S(1) H(26) 3.083 . 4_455 no F(1) F(2) 2.04(1) . . yes F(1) F(3) 2.062(7) . . yes F(1) F(3) 2.976(7) . 3_656 yes F(1) O(5) 2.891(6) . . yes F(1) O(6) 3.030(10) . . yes F(1) C(17) 1.232(9) . . yes F(1) H(6) 2.861 . 4_555 no F(1) H(7) 3.087 . 4_555 no F(1) H(12) 3.041 . . no F(2) F(3) 2.121(8) . . yes F(2) O(5) 3.003(7) . . yes F(2) O(7) 2.818(8) . . yes F(2) C(17) 1.377(10) . . yes F(2) H(1) 2.661 . 3_666 no F(2) H(9) 3.014 . . no F(2) H(19) 2.785 . 3_666 no F(3) O(6) 2.891(7) . . yes F(3) O(7) 2.973(6) . . yes F(3) C(17) 1.302(7) . . yes F(3) H(25) 2.618 . 4_455 no F(3) H(26) 2.717 . 4_455 no O(1) O(2) 2.756(8) . . yes O(1) N(1) 2.967(6) . . yes O(1) C(1) 2.381(8) . . yes O(1) C(2) 1.401(9) . . yes O(1) C(3) 1.428(8) . . yes O(1) C(4) 2.362(9) . . yes O(1) H(2) 2.524 . . no O(1) H(3) 1.961 . . no O(1) H(4) 1.973 . . no O(1) H(5) 1.994 . . no O(1) H(6) 1.978 . . no O(1) H(7) 2.487 . . no O(1) H(25) 2.816 . 3_665 no O(2) O(3) 2.737(8) . . yes O(2) C(3) 2.26(1) . . yes O(2) C(4) 1.343(9) . . yes O(2) C(5) 1.212(10) . . yes O(2) C(6) 2.34(1) . . yes O(2) H(5) 2.422 . . no O(2) H(6) 3.095 . . no O(2) H(7) 1.878 . . no O(2) H(8) 1.922 . . no O(2) H(9) 1.753 . . no O(2) H(10) 1.686 . . no O(2) H(11) 3.001 . . no O(2) H(12) 2.809 . . no O(3) O(4) 2.792(6) . . yes O(3) C(5) 2.358(9) . . yes O(3) C(6) 1.425(8) . . yes O(3) C(7) 1.399(8) . . yes O(3) C(8) 2.350(8) . . yes O(3) H(9) 3.107 . . no O(3) H(10) 2.811 . . no O(3) H(11) 1.945 . . no O(3) H(12) 1.947 . . no O(3) H(13) 1.969 . . no O(3) H(14) 1.963 . . no O(3) H(15) 2.520 . . no O(4) N(1) 2.926(6) . . yes O(4) C(7) 2.357(8) . . yes O(4) C(8) 1.432(7) . . yes O(4) C(9) 1.432(7) . . yes O(4) C(10) 2.357(7) . . yes O(4) H(13) 2.495 . . no O(4) H(15) 1.977 . . no O(4) H(16) 1.981 . . no O(4) H(17) 1.990 . . no O(4) H(18) 1.986 . . no O(4) H(20) 2.471 . . no O(5) O(6) 2.374(7) . . yes O(5) O(7) 2.391(6) . . yes O(5) C(17) 2.560(8) . . yes O(5) H(1) 2.876 . 3_666 no O(5) H(6) 2.908 . 4_555 no O(5) H(8) 2.866 . 4_555 no O(5) H(17) 2.559 . 2_646 no O(5) H(21) 2.918 . 3_666 no O(5) H(23) 2.571 . 3_666 no O(6) O(7) 2.353(9) . . yes O(6) C(17) 2.50(1) . . yes O(6) H(6) 3.085 . 4_555 no O(6) H(11) 2.626 . 3_656 no O(6) H(16) 2.699 . 2_646 no O(6) H(18) 3.124 . 4_455 no O(6) H(26) 2.974 . 4_455 no O(7) C(17) 2.514(9) . . yes O(7) H(15) 2.774 . 4_455 no O(7) H(21) 2.777 . 3_666 no O(7) H(24) 2.890 . 2_545 no O(7) H(26) 2.501 . 4_455 no N(1) C(1) 1.484(7) . . yes N(1) C(2) 2.527(8) . . yes N(1) C(9) 2.480(8) . . yes N(1) C(10) 1.474(7) . . yes N(1) C(11) 1.492(7) . . yes N(1) C(12) 2.502(6) . . yes N(1) H(1) 1.996 . . no N(1) H(2) 1.986 . . no N(1) H(4) 2.726 . . no N(1) H(18) 2.635 . . no N(1) H(19) 1.998 . . no N(1) H(20) 1.999 . . no N(1) H(21) 2.018 . . no N(1) H(22) 2.016 . . no N(2) C(12) 2.805(6) . . yes N(2) C(13) 2.385(7) . . yes N(2) C(14) 1.324(6) . . yes N(2) C(15) 1.334(6) . . yes N(2) C(16) 2.387(6) . . yes N(2) H(24) 1.981 . . no N(2) H(25) 1.985 . . no C(1) C(2) 1.515(9) . . yes C(1) C(10) 2.439(9) . . yes C(1) C(11) 2.420(8) . . yes C(1) C(12) 3.056(8) . . yes C(1) H(1) 0.957 . . no C(1) H(2) 0.948 . . no C(1) H(3) 2.072 . . no C(1) H(4) 2.075 . . no C(1) H(19) 2.815 . . no C(1) H(20) 2.445 . . no C(1) H(21) 2.511 . . no C(1) H(23) 3.116 . . no C(2) C(3) 2.33(1) . . yes C(2) C(10) 3.115(10) . . yes C(2) H(1) 2.049 . . no C(2) H(2) 2.020 . . no C(2) H(3) 0.963 . . no C(2) H(4) 0.990 . . no C(2) H(5) 2.459 . . no C(2) H(6) 2.627 . . no C(2) H(20) 2.692 . . no C(3) C(4) 1.46(1) . . yes C(3) H(3) 2.495 . . no C(3) H(4) 2.560 . . no C(3) H(5) 0.979 . . no C(3) H(6) 0.956 . . no C(3) H(7) 1.990 . . no C(3) H(8) 2.013 . . no C(4) C(5) 2.32(1) . . yes C(4) H(5) 2.002 . . no C(4) H(6) 2.012 . . no C(4) H(7) 0.952 . . no C(4) H(8) 0.960 . . no C(4) H(9) 2.541 . . no C(4) H(10) 2.447 . . no C(5) C(6) 1.41(1) . . yes C(5) H(7) 2.687 . . no C(5) H(8) 2.571 . . no C(5) H(9) 0.992 . . no C(5) H(10) 0.926 . . no C(5) H(11) 1.917 . . no C(5) H(12) 1.945 . . no C(6) C(7) 2.36(1) . . yes C(6) H(9) 1.922 . . no C(6) H(10) 1.913 . . no C(6) H(11) 0.937 . . no C(6) H(12) 0.959 . . no C(6) H(13) 2.531 . . no C(6) H(14) 2.646 . . no C(7) C(8) 1.483(10) . . yes C(7) H(11) 2.955 . . no C(7) H(12) 2.300 . . no C(7) H(13) 0.962 . . no C(7) H(14) 0.959 . . no C(7) H(15) 2.028 . . no C(7) H(16) 2.050 . . no C(8) C(9) 2.41(1) . . yes C(8) H(13) 2.000 . . no C(8) H(14) 2.010 . . no C(8) H(15) 0.963 . . no C(8) H(16) 0.966 . . no C(8) H(17) 2.615 . . no C(8) H(18) 2.655 . . no C(9) C(10) 1.494(9) . . yes C(9) H(15) 2.660 . . no C(9) H(16) 2.574 . . no C(9) H(17) 0.961 . . no C(9) H(18) 0.960 . . no C(9) H(19) 2.020 . . no C(9) H(20) 2.008 . . no C(9) H(22) 2.845 . . no C(10) C(11) 2.395(8) . . yes C(10) H(1) 2.532 . . no C(10) H(4) 2.819 . . no C(10) H(5) 3.123 . 3_666 no C(10) H(17) 2.039 . . no C(10) H(18) 2.032 . . no C(10) H(19) 0.955 . . no C(10) H(20) 0.957 . . no C(10) H(21) 2.661 . . no C(10) H(22) 2.467 . . no C(11) C(12) 1.498(7) . . yes C(11) C(13) 2.549(7) . . yes C(11) C(16) 2.499(7) . . yes C(11) H(1) 2.644 . . no C(11) H(2) 2.484 . . no C(11) H(18) 2.921 . . no C(11) H(19) 2.386 . . no C(11) H(21) 0.959 . . no C(11) H(22) 0.955 . . no C(11) H(23) 2.738 . . no C(11) H(26) 2.647 . . no C(12) C(13) 1.394(7) . . yes C(12) C(14) 2.398(7) . . yes C(12) C(15) 2.407(7) . . yes C(12) C(16) 1.388(7) . . yes C(12) H(2) 2.634 . . no C(12) H(14) 3.127 . 2_655 no C(12) H(21) 2.022 . . no C(12) H(22) 2.012 . . no C(12) H(23) 2.068 . . no C(12) H(26) 2.036 . . no C(13) C(14) 1.381(7) . . yes C(13) C(15) 2.708(7) . . yes C(13) C(16) 2.365(7) . . yes C(13) H(2) 2.629 . . no C(13) H(14) 3.023 . 2_655 no C(13) H(21) 2.641 . . no C(13) H(23) 0.988 . . no C(13) H(24) 2.035 . . no C(14) C(15) 2.274(7) . . yes C(14) C(16) 2.694(7) . . yes C(14) H(14) 3.070 . 2_655 no C(14) H(23) 2.070 . . no C(14) H(24) 0.977 . . no C(14) H(25) 3.144 . . no C(15) C(16) 1.388(7) . . yes C(15) H(25) 0.966 . . no C(15) H(26) 2.048 . . no C(16) H(11) 3.114 . 2_655 no C(16) H(22) 2.572 . . no C(16) H(25) 2.041 . . no C(16) H(26) 0.958 . . no #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O(1) Ag(1) O(2) 58.6(2) . 1_555 1_555 yes O(1) Ag(1) O(3) 111.2(1) . 1_555 1_555 yes O(1) Ag(1) O(4) 102.3(1) . 1_555 1_555 yes O(1) Ag(1) O(7) 168.6(1) . 1_555 4_554 yes O(1) Ag(1) N(1) 70.6(1) . 1_555 1_555 yes O(1) Ag(1) N(2) 95.5(1) . 1_555 3_665 yes O(1) Ag(1) C(9) 103.1(2) . 1_555 1_555 yes O(1) Ag(1) C(15) 76.0(1) . 1_555 3_665 yes O(1) Ag(1) H(25) 59.5 . 1_555 3_665 no O(2) Ag(1) O(3) 56.5(2) . 1_555 1_555 yes O(2) Ag(1) O(4) 95.0(3) . 1_555 1_555 yes O(2) Ag(1) O(7) 131.5(2) . 1_555 4_554 yes O(2) Ag(1) N(1) 123.7(2) . 1_555 1_555 yes O(2) Ag(1) N(2) 86.9(3) . 1_555 3_665 yes O(2) Ag(1) C(9) 118.1(3) . 1_555 1_555 yes O(2) Ag(1) C(15) 87.5(3) . 1_555 3_665 yes O(2) Ag(1) H(25) 85.0 . 1_555 3_665 no O(3) Ag(1) O(4) 64.1(1) . 1_555 1_555 yes O(3) Ag(1) O(7) 80.2(1) . 1_555 4_554 yes O(3) Ag(1) N(1) 136.1(1) . 1_555 1_555 yes O(3) Ag(1) N(2) 101.6(1) . 1_555 3_665 yes O(3) Ag(1) C(9) 88.5(2) . 1_555 1_555 yes O(3) Ag(1) C(15) 120.1(1) . 1_555 3_665 yes O(3) Ag(1) H(25) 130.6 . 1_555 3_665 no O(4) Ag(1) O(7) 83.1(1) . 1_555 4_554 yes O(4) Ag(1) N(1) 72.6(1) . 1_555 1_555 yes O(4) Ag(1) N(2) 160.3(1) . 1_555 3_665 yes O(4) Ag(1) C(9) 26.2(1) . 1_555 1_555 yes O(4) Ag(1) C(15) 175.8(1) . 1_555 3_665 yes O(4) Ag(1) H(25) 158.5 . 1_555 3_665 no O(7) Ag(1) N(1) 102.0(2) . 4_554 1_555 yes O(7) Ag(1) N(2) 81.0(1) . 4_554 3_665 yes O(7) Ag(1) C(9) 77.3(2) . 4_554 1_555 yes O(7) Ag(1) C(15) 97.9(1) . 4_554 3_665 yes O(7) Ag(1) H(25) 112.9 . 4_554 3_665 no N(1) Ag(1) N(2) 122.2(1) . 1_555 3_665 yes N(1) Ag(1) C(9) 50.7(2) . 1_555 1_555 yes N(1) Ag(1) C(15) 103.2(1) . 1_555 3_665 yes N(1) Ag(1) H(25) 89.5 . 1_555 3_665 no N(2) Ag(1) C(9) 154.1(2) . 3_665 1_555 yes N(2) Ag(1) C(15) 23.1(1) . 3_665 3_665 yes N(2) Ag(1) H(25) 41.2 . 3_665 3_665 no C(9) Ag(1) C(15) 150.1(2) . 1_555 3_665 yes C(9) Ag(1) H(25) 140.0 . 1_555 3_665 no C(15) Ag(1) H(25) 18.3 . 3_665 3_665 no F(1) S(1) F(2) 46.3(2) . 1_555 1_555 yes F(1) S(1) F(3) 46.7(2) . 1_555 1_555 yes F(1) S(1) O(5) 87.2(2) . 1_555 1_555 yes F(1) S(1) O(6) 94.5(4) . 1_555 1_555 yes F(1) S(1) O(7) 127.3(3) . 1_555 1_555 yes F(1) S(1) C(17) 25.3(3) . 1_555 1_555 yes F(1) S(1) H(26) 102.4 . 1_555 4_455 no F(2) S(1) F(3) 48.1(2) . 1_555 1_555 yes F(2) S(1) O(5) 92.0(2) . 1_555 1_555 yes F(2) S(1) O(6) 132.5(3) . 1_555 1_555 yes F(2) S(1) O(7) 83.9(3) . 1_555 1_555 yes F(2) S(1) C(17) 30.1(3) . 1_555 1_555 yes F(2) S(1) H(26) 89.1 . 1_555 4_455 no F(3) S(1) O(5) 131.6(2) . 1_555 1_555 yes F(3) S(1) O(6) 86.7(3) . 1_555 1_555 yes F(3) S(1) O(7) 90.0(2) . 1_555 1_555 yes F(3) S(1) C(17) 27.0(2) . 1_555 1_555 yes F(3) S(1) H(26) 56.2 . 1_555 4_455 no O(5) S(1) O(6) 115.2(3) . 1_555 1_555 yes O(5) S(1) O(7) 114.9(3) . 1_555 1_555 yes O(5) S(1) C(17) 104.8(3) . 1_555 1_555 yes O(5) S(1) H(26) 167.6 . 1_555 4_455 no O(6) S(1) O(7) 114.4(4) . 1_555 1_555 yes O(6) S(1) C(17) 102.7(4) . 1_555 1_555 yes O(6) S(1) H(26) 72.4 . 1_555 4_455 no O(7) S(1) C(17) 102.6(4) . 1_555 1_555 yes O(7) S(1) H(26) 52.9 . 1_555 4_455 no C(17) S(1) H(26) 82.1 . 1_555 4_455 no S(1) F(1) F(2) 67.0(2) . 1_555 1_555 yes S(1) F(1) F(3) 67.4(2) . 1_555 1_555 yes S(1) F(1) F(3) 144.1(4) . 1_555 3_656 yes S(1) F(1) O(5) 29.49(10) . 1_555 1_555 yes S(1) F(1) O(6) 27.2(1) . 1_555 1_555 yes S(1) F(1) C(17) 38.5(4) . 1_555 1_555 yes S(1) F(1) H(6) 75.2 . 1_555 4_555 no S(1) F(1) H(7) 109.5 . 1_555 4_555 no S(1) F(1) H(12) 146.1 . 1_555 1_555 no F(2) F(1) F(3) 62.3(3) . 1_555 1_555 yes F(2) F(1) F(3) 138.5(3) . 1_555 3_656 yes F(2) F(1) O(5) 72.8(2) . 1_555 1_555 yes F(2) F(1) O(6) 90.9(3) . 1_555 1_555 yes F(2) F(1) C(17) 41.4(5) . 1_555 1_555 yes F(2) F(1) H(6) 133.0 . 1_555 4_555 no F(2) F(1) H(7) 123.7 . 1_555 4_555 no F(2) F(1) H(12) 87.5 . 1_555 1_555 no F(3) F(1) F(3) 99.9(3) . 1_555 3_656 yes F(3) F(1) O(5) 95.8(2) . 1_555 1_555 yes F(3) F(1) O(6) 66.0(2) . 1_555 1_555 yes F(3) F(1) C(17) 36.7(4) . 1_555 1_555 yes F(3) F(1) H(6) 126.1 . 1_555 4_555 no F(3) F(1) H(7) 172.3 . 1_555 4_555 no F(3) F(1) H(12) 121.1 . 1_555 1_555 no F(3) F(1) O(5) 148.7(3) . 3_656 1_555 yes F(3) F(1) O(6) 117.1(3) . 3_656 1_555 yes F(3) F(1) C(17) 136.4(5) . 3_656 1_555 yes F(3) F(1) H(6) 88.3 . 3_656 4_555 no F(3) F(1) H(7) 78.5 . 3_656 4_555 no F(3) F(1) H(12) 69.6 . 3_656 1_555 no O(5) F(1) O(6) 47.2(2) . 1_555 1_555 yes O(5) F(1) C(17) 62.2(4) . 1_555 1_555 yes O(5) F(1) H(6) 60.7 . 1_555 4_555 no O(5) F(1) H(7) 82.3 . 1_555 4_555 no O(5) F(1) H(12) 123.4 . 1_555 1_555 no O(6) F(1) C(17) 53.4(5) . 1_555 1_555 yes O(6) F(1) H(6) 63.1 . 1_555 4_555 no O(6) F(1) H(7) 107.8 . 1_555 4_555 no O(6) F(1) H(12) 170.3 . 1_555 1_555 no C(17) F(1) H(6) 113.1 . 1_555 4_555 no C(17) F(1) H(7) 143.8 . 1_555 4_555 no C(17) F(1) H(12) 127.5 . 1_555 1_555 no H(6) F(1) H(7) 46.6 . 4_555 4_555 no H(6) F(1) H(12) 111.7 . 4_555 1_555 no H(7) F(1) H(12) 65.6 . 4_555 1_555 no S(1) F(2) F(1) 66.7(3) . 1_555 1_555 yes S(1) F(2) F(3) 66.5(2) . 1_555 1_555 yes S(1) F(2) O(5) 28.3(1) . 1_555 1_555 yes S(1) F(2) O(7) 29.9(1) . 1_555 1_555 yes S(1) F(2) C(17) 40.8(3) . 1_555 1_555 yes S(1) F(2) H(1) 87.9 . 1_555 3_666 no S(1) F(2) H(9) 151.4 . 1_555 1_555 no S(1) F(2) H(19) 112.0 . 1_555 3_666 no F(1) F(2) F(3) 59.4(3) . 1_555 1_555 yes F(1) F(2) O(5) 66.9(2) . 1_555 1_555 yes F(1) F(2) O(7) 95.1(3) . 1_555 1_555 yes F(1) F(2) C(17) 36.3(4) . 1_555 1_555 yes F(1) F(2) H(1) 97.8 . 1_555 3_666 no F(1) F(2) H(9) 84.7 . 1_555 1_555 no F(1) F(2) H(19) 154.6 . 1_555 3_666 no F(3) F(2) O(5) 91.4(3) . 1_555 1_555 yes F(3) F(2) O(7) 72.5(2) . 1_555 1_555 yes F(3) F(2) C(17) 36.4(4) . 1_555 1_555 yes F(3) F(2) H(1) 150.4 . 1_555 3_666 no F(3) F(2) H(9) 99.4 . 1_555 1_555 no F(3) F(2) H(19) 145.1 . 1_555 3_666 no O(5) F(2) O(7) 48.4(2) . 1_555 1_555 yes O(5) F(2) C(17) 58.2(4) . 1_555 1_555 yes O(5) F(2) H(1) 60.7 . 1_555 3_666 no O(5) F(2) H(9) 138.8 . 1_555 1_555 no O(5) F(2) H(19) 99.6 . 1_555 3_666 no O(7) F(2) C(17) 63.1(4) . 1_555 1_555 yes O(7) F(2) H(1) 92.9 . 1_555 3_666 no O(7) F(2) H(9) 170.4 . 1_555 1_555 no O(7) F(2) H(19) 90.4 . 1_555 3_666 no C(17) F(2) H(1) 114.1 . 1_555 3_666 no C(17) F(2) H(9) 113.5 . 1_555 1_555 no C(17) F(2) H(19) 152.5 . 1_555 3_666 no H(1) F(2) H(9) 96.6 . 3_666 1_555 no H(1) F(2) H(19) 57.2 . 3_666 3_666 no H(9) F(2) H(19) 93.9 . 1_555 3_666 no S(1) F(3) F(1) 65.9(2) . 1_555 1_555 yes S(1) F(3) F(1) 131.8(2) . 1_555 3_656 yes S(1) F(3) F(2) 65.4(2) . 1_555 1_555 yes S(1) F(3) O(6) 28.6(1) . 1_555 1_555 yes S(1) F(3) O(7) 28.3(1) . 1_555 1_555 yes S(1) F(3) C(17) 38.7(4) . 1_555 1_555 yes S(1) F(3) H(25) 118.2 . 1_555 4_455 no S(1) F(3) H(26) 70.6 . 1_555 4_455 no F(1) F(3) F(1) 80.1(3) . 1_555 3_656 yes F(1) F(3) F(2) 58.2(3) . 1_555 1_555 yes F(1) F(3) O(6) 73.3(3) . 1_555 1_555 yes F(1) F(3) O(7) 90.1(2) . 1_555 1_555 yes F(1) F(3) C(17) 34.4(4) . 1_555 1_555 yes F(1) F(3) H(25) 168.3 . 1_555 4_455 no F(1) F(3) H(26) 135.5 . 1_555 4_455 no F(1) F(3) F(2) 123.5(3) . 3_656 1_555 yes F(1) F(3) O(6) 110.8(3) . 3_656 1_555 yes F(1) F(3) O(7) 158.0(3) . 3_656 1_555 yes F(1) F(3) C(17) 114.5(4) . 3_656 1_555 yes F(1) F(3) H(25) 102.1 . 3_656 4_455 no F(1) F(3) H(26) 125.6 . 3_656 4_455 no F(2) F(3) O(6) 93.1(2) . 1_555 1_555 yes F(2) F(3) O(7) 64.7(2) . 1_555 1_555 yes F(2) F(3) C(17) 38.9(4) . 1_555 1_555 yes F(2) F(3) H(25) 112.3 . 1_555 4_455 no F(2) F(3) H(26) 110.9 . 1_555 4_455 no O(6) F(3) O(7) 47.3(2) . 1_555 1_555 yes O(6) F(3) C(17) 59.6(4) . 1_555 1_555 yes O(6) F(3) H(25) 115.9 . 1_555 4_455 no O(6) F(3) H(26) 64.0 . 1_555 4_455 no O(7) F(3) C(17) 57.0(4) . 1_555 1_555 yes O(7) F(3) H(25) 91.5 . 1_555 4_455 no O(7) F(3) H(26) 51.9 . 1_555 4_455 no C(17) F(3) H(25) 142.4 . 1_555 4_455 no C(17) F(3) H(26) 107.6 . 1_555 4_455 no H(25) F(3) H(26) 52.1 . 4_455 4_455 no Ag(1) O(1) O(2) 67.1(2) . 1_555 1_555 yes Ag(1) O(1) N(1) 52.9(1) . 1_555 1_555 yes Ag(1) O(1) C(1) 81.9(2) . 1_555 1_555 yes Ag(1) O(1) C(2) 108.0(3) . 1_555 1_555 yes Ag(1) O(1) C(3) 122.0(5) . 1_555 1_555 yes Ag(1) O(1) C(4) 92.0(2) . 1_555 1_555 yes Ag(1) O(1) H(2) 84.9 . 1_555 1_555 no Ag(1) O(1) H(3) 134.9 . 1_555 1_555 no Ag(1) O(1) H(4) 98.5 . 1_555 1_555 no Ag(1) O(1) H(5) 115.0 . 1_555 1_555 no Ag(1) O(1) H(6) 146.3 . 1_555 1_555 no Ag(1) O(1) H(7) 87.3 . 1_555 1_555 no Ag(1) O(1) H(25) 67.2 . 1_555 3_665 no O(2) O(1) N(1) 115.4(2) . 1_555 1_555 yes O(2) O(1) C(1) 144.1(3) . 1_555 1_555 yes O(2) O(1) C(2) 137.8(5) . 1_555 1_555 yes O(2) O(1) C(3) 55.1(4) . 1_555 1_555 yes O(2) O(1) C(4) 29.1(2) . 1_555 1_555 yes O(2) O(1) H(2) 151.8 . 1_555 1_555 no O(2) O(1) H(3) 141.6 . 1_555 1_555 no O(2) O(1) H(4) 109.6 . 1_555 1_555 no O(2) O(1) H(5) 58.7 . 1_555 1_555 no O(2) O(1) H(6) 79.8 . 1_555 1_555 no O(2) O(1) H(7) 41.6 . 1_555 1_555 no O(2) O(1) H(25) 93.1 . 1_555 3_665 no N(1) O(1) C(1) 29.7(2) . 1_555 1_555 yes N(1) O(1) C(2) 58.2(3) . 1_555 1_555 yes N(1) O(1) C(3) 154.7(5) . 1_555 1_555 yes N(1) O(1) C(4) 143.7(3) . 1_555 1_555 yes N(1) O(1) H(2) 41.4 . 1_555 1_555 no N(1) O(1) H(3) 82.9 . 1_555 1_555 no N(1) O(1) H(4) 63.3 . 1_555 1_555 no N(1) O(1) H(5) 127.7 . 1_555 1_555 no N(1) O(1) H(6) 158.8 . 1_555 1_555 no N(1) O(1) H(7) 138.5 . 1_555 1_555 no N(1) O(1) H(25) 84.8 . 1_555 3_665 no C(1) O(1) C(2) 36.9(3) . 1_555 1_555 yes C(1) O(1) C(3) 147.7(5) . 1_555 1_555 yes C(1) O(1) C(4) 173.3(3) . 1_555 1_555 yes C(1) O(1) H(2) 22.0 . 1_555 1_555 no C(1) O(1) H(3) 56.0 . 1_555 1_555 no C(1) O(1) H(4) 56.0 . 1_555 1_555 no C(1) O(1) H(5) 126.3 . 1_555 1_555 no C(1) O(1) H(6) 131.5 . 1_555 1_555 no C(1) O(1) H(7) 158.2 . 1_555 1_555 no C(1) O(1) H(25) 91.0 . 1_555 3_665 no C(2) O(1) C(3) 110.9(6) . 1_555 1_555 yes C(2) O(1) C(4) 144.9(4) . 1_555 1_555 yes C(2) O(1) H(2) 53.1 . 1_555 1_555 no C(2) O(1) H(3) 27.4 . 1_555 1_555 no C(2) O(1) H(4) 28.1 . 1_555 1_555 no C(2) O(1) H(5) 91.1 . 1_555 1_555 no C(2) O(1) H(6) 100.7 . 1_555 1_555 no C(2) O(1) H(7) 163.1 . 1_555 1_555 no C(2) O(1) H(25) 124.8 . 1_555 3_665 no C(3) O(1) C(4) 35.6(4) . 1_555 1_555 yes C(3) O(1) H(2) 153.1 . 1_555 1_555 no C(3) O(1) H(3) 93.5 . 1_555 1_555 no C(3) O(1) H(4) 96.3 . 1_555 1_555 no C(3) O(1) H(5) 27.4 . 1_555 1_555 no C(3) O(1) H(6) 26.9 . 1_555 1_555 no C(3) O(1) H(7) 53.1 . 1_555 1_555 no C(3) O(1) H(25) 117.3 . 1_555 3_665 no C(4) O(1) H(2) 160.7 . 1_555 1_555 no C(4) O(1) H(3) 128.8 . 1_555 1_555 no C(4) O(1) H(4) 122.6 . 1_555 1_555 no C(4) O(1) H(5) 53.9 . 1_555 1_555 no C(4) O(1) H(6) 54.4 . 1_555 1_555 no C(4) O(1) H(7) 22.5 . 1_555 1_555 no C(4) O(1) H(25) 89.3 . 1_555 3_665 no H(2) O(1) H(3) 62.7 . 1_555 1_555 no H(2) O(1) H(4) 76.7 . 1_555 1_555 no H(2) O(1) H(5) 143.8 . 1_555 1_555 no H(2) O(1) H(6) 127.4 . 1_555 1_555 no H(2) O(1) H(7) 138.3 . 1_555 1_555 no H(2) O(1) H(25) 71.9 . 1_555 3_665 no H(3) O(1) H(4) 46.5 . 1_555 1_555 no H(3) O(1) H(5) 83.2 . 1_555 1_555 no H(3) O(1) H(6) 76.3 . 1_555 1_555 no H(3) O(1) H(7) 137.8 . 1_555 1_555 no H(3) O(1) H(25) 123.2 . 1_555 3_665 no H(4) O(1) H(5) 70.8 . 1_555 1_555 no H(4) O(1) H(6) 98.6 . 1_555 1_555 no H(4) O(1) H(7) 145.1 . 1_555 1_555 no H(4) O(1) H(25) 146.3 . 1_555 3_665 no H(5) O(1) H(6) 46.0 . 1_555 1_555 no H(5) O(1) H(7) 75.5 . 1_555 1_555 no H(5) O(1) H(25) 142.7 . 1_555 3_665 no H(6) O(1) H(7) 62.6 . 1_555 1_555 no H(6) O(1) H(25) 110.0 . 1_555 3_665 no H(7) O(1) H(25) 67.3 . 1_555 3_665 no Ag(1) O(2) O(1) 54.3(1) . 1_555 1_555 yes Ag(1) O(2) O(3) 58.5(2) . 1_555 1_555 yes Ag(1) O(2) C(3) 85.3(3) . 1_555 1_555 yes Ag(1) O(2) C(4) 106.2(5) . 1_555 1_555 yes Ag(1) O(2) C(5) 110.7(6) . 1_555 1_555 yes Ag(1) O(2) C(6) 88.4(3) . 1_555 1_555 yes Ag(1) O(2) H(5) 92.2 . 1_555 1_555 no Ag(1) O(2) H(6) 93.1 . 1_555 1_555 no Ag(1) O(2) H(7) 90.3 . 1_555 1_555 no Ag(1) O(2) H(8) 133.8 . 1_555 1_555 no Ag(1) O(2) H(9) 142.0 . 1_555 1_555 no Ag(1) O(2) H(10) 103.7 . 1_555 1_555 no Ag(1) O(2) H(11) 90.4 . 1_555 1_555 no Ag(1) O(2) H(12) 99.2 . 1_555 1_555 no O(1) O(2) O(3) 109.0(2) . 1_555 1_555 yes O(1) O(2) C(3) 31.1(2) . 1_555 1_555 yes O(1) O(2) C(4) 58.9(4) . 1_555 1_555 yes O(1) O(2) C(5) 164.4(8) . 1_555 1_555 yes O(1) O(2) C(6) 140.3(3) . 1_555 1_555 yes O(1) O(2) H(5) 44.7 . 1_555 1_555 no O(1) O(2) H(6) 39.0 . 1_555 1_555 no O(1) O(2) H(7) 61.5 . 1_555 1_555 no O(1) O(2) H(8) 84.1 . 1_555 1_555 no O(1) O(2) H(9) 162.4 . 1_555 1_555 no O(1) O(2) H(10) 139.7 . 1_555 1_555 no O(1) O(2) H(11) 144.6 . 1_555 1_555 no O(1) O(2) H(12) 142.1 . 1_555 1_555 no O(3) O(2) C(3) 135.6(4) . 1_555 1_555 yes O(3) O(2) C(4) 164.0(6) . 1_555 1_555 yes O(3) O(2) C(5) 59.1(5) . 1_555 1_555 yes O(3) O(2) C(6) 31.4(2) . 1_555 1_555 yes O(3) O(2) H(5) 124.8 . 1_555 1_555 no O(3) O(2) H(6) 145.8 . 1_555 1_555 no O(3) O(2) H(7) 138.2 . 1_555 1_555 no O(3) O(2) H(8) 166.9 . 1_555 1_555 no O(3) O(2) H(9) 84.5 . 1_555 1_555 no O(3) O(2) H(10) 74.7 . 1_555 1_555 no O(3) O(2) H(11) 39.3 . 1_555 1_555 no O(3) O(2) H(12) 41.1 . 1_555 1_555 no C(3) O(2) C(4) 37.9(5) . 1_555 1_555 yes C(3) O(2) C(5) 163.9(6) . 1_555 1_555 yes C(3) O(2) C(6) 161.9(7) . 1_555 1_555 yes C(3) O(2) H(5) 23.8 . 1_555 1_555 no C(3) O(2) H(6) 10.3 . 1_555 1_555 no C(3) O(2) H(7) 56.5 . 1_555 1_555 no C(3) O(2) H(8) 56.8 . 1_555 1_555 no C(3) O(2) H(9) 131.6 . 1_555 1_555 no C(3) O(2) H(10) 144.2 . 1_555 1_555 no C(3) O(2) H(11) 174.9 . 1_555 1_555 no C(3) O(2) H(12) 147.6 . 1_555 1_555 no C(4) O(2) C(5) 130.2(10) . 1_555 1_555 yes C(4) O(2) C(6) 159.2(8) . 1_555 1_555 yes C(4) O(2) H(5) 55.7 . 1_555 1_555 no C(4) O(2) H(6) 28.1 . 1_555 1_555 no C(4) O(2) H(7) 28.7 . 1_555 1_555 no C(4) O(2) H(8) 27.6 . 1_555 1_555 no C(4) O(2) H(9) 109.6 . 1_555 1_555 no C(4) O(2) H(10) 107.2 . 1_555 1_555 no C(4) O(2) H(11) 146.7 . 1_555 1_555 no C(4) O(2) H(12) 154.6 . 1_555 1_555 no C(5) O(2) C(6) 29.0(5) . 1_555 1_555 yes C(5) O(2) H(5) 149.4 . 1_555 1_555 no C(5) O(2) H(6) 154.7 . 1_555 1_555 no C(5) O(2) H(7) 119.3 . 1_555 1_555 no C(5) O(2) H(8) 108.1 . 1_555 1_555 no C(5) O(2) H(9) 33.2 . 1_555 1_555 no C(5) O(2) H(10) 32.3 . 1_555 1_555 no C(5) O(2) H(11) 20.8 . 1_555 1_555 no C(5) O(2) H(12) 35.0 . 1_555 1_555 no C(6) O(2) H(5) 140.2 . 1_555 1_555 no C(6) O(2) H(6) 169.7 . 1_555 1_555 no C(6) O(2) H(7) 140.6 . 1_555 1_555 no C(6) O(2) H(8) 135.5 . 1_555 1_555 no C(6) O(2) H(9) 53.8 . 1_555 1_555 no C(6) O(2) H(10) 53.9 . 1_555 1_555 no C(6) O(2) H(11) 14.4 . 1_555 1_555 no C(6) O(2) H(12) 18.7 . 1_555 1_555 no H(5) O(2) H(6) 29.6 . 1_555 1_555 no H(5) O(2) H(7) 79.1 . 1_555 1_555 no H(5) O(2) H(8) 64.3 . 1_555 1_555 no H(5) O(2) H(9) 118.4 . 1_555 1_555 no H(5) O(2) H(10) 159.9 . 1_555 1_555 no H(5) O(2) H(11) 154.3 . 1_555 1_555 no H(5) O(2) H(12) 123.9 . 1_555 1_555 no H(6) O(2) H(7) 49.6 . 1_555 1_555 no H(6) O(2) H(8) 46.8 . 1_555 1_555 no H(6) O(2) H(9) 124.8 . 1_555 1_555 no H(6) O(2) H(10) 135.2 . 1_555 1_555 no H(6) O(2) H(11) 174.7 . 1_555 1_555 no H(6) O(2) H(12) 151.7 . 1_555 1_555 no H(7) O(2) H(8) 48.2 . 1_555 1_555 no H(7) O(2) H(9) 115.9 . 1_555 1_555 no H(7) O(2) H(10) 88.5 . 1_555 1_555 no H(7) O(2) H(11) 126.4 . 1_555 1_555 no H(7) O(2) H(12) 154.3 . 1_555 1_555 no H(8) O(2) H(9) 82.6 . 1_555 1_555 no H(8) O(2) H(10) 95.6 . 1_555 1_555 no H(8) O(2) H(11) 128.3 . 1_555 1_555 no H(8) O(2) H(12) 127.0 . 1_555 1_555 no H(9) O(2) H(10) 53.6 . 1_555 1_555 no H(9) O(2) H(11) 52.2 . 1_555 1_555 no H(9) O(2) H(12) 45.9 . 1_555 1_555 no H(10) O(2) H(11) 39.8 . 1_555 1_555 no H(10) O(2) H(12) 66.1 . 1_555 1_555 no H(11) O(2) H(12) 30.7 . 1_555 1_555 no Ag(1) O(3) O(2) 65.0(2) . 1_555 1_555 yes Ag(1) O(3) O(4) 51.7(1) . 1_555 1_555 yes Ag(1) O(3) C(5) 87.8(3) . 1_555 1_555 yes Ag(1) O(3) C(6) 120.7(4) . 1_555 1_555 yes Ag(1) O(3) C(7) 109.1(4) . 1_555 1_555 yes Ag(1) O(3) C(8) 78.1(2) . 1_555 1_555 yes Ag(1) O(3) H(9) 98.8 . 1_555 1_555 no Ag(1) O(3) H(10) 84.0 . 1_555 1_555 no Ag(1) O(3) H(11) 125.8 . 1_555 1_555 no Ag(1) O(3) H(12) 135.8 . 1_555 1_555 no Ag(1) O(3) H(13) 105.2 . 1_555 1_555 no Ag(1) O(3) H(14) 132.6 . 1_555 1_555 no Ag(1) O(3) H(15) 75.8 . 1_555 1_555 no O(2) O(3) O(4) 92.8(2) . 1_555 1_555 yes O(2) O(3) C(5) 26.2(2) . 1_555 1_555 yes O(2) O(3) C(6) 58.6(4) . 1_555 1_555 yes O(2) O(3) C(7) 119.4(5) . 1_555 1_555 yes O(2) O(3) C(8) 121.8(3) . 1_555 1_555 yes O(2) O(3) H(9) 34.2 . 1_555 1_555 no O(2) O(3) H(10) 35.3 . 1_555 1_555 no O(2) O(3) H(11) 77.7 . 1_555 1_555 no O(2) O(3) H(12) 71.4 . 1_555 1_555 no O(2) O(3) H(13) 93.1 . 1_555 1_555 no O(2) O(3) H(14) 135.8 . 1_555 1_555 no O(2) O(3) H(15) 134.7 . 1_555 1_555 no O(4) O(3) C(5) 118.3(3) . 1_555 1_555 yes O(4) O(3) C(6) 142.7(5) . 1_555 1_555 yes O(4) O(3) C(7) 57.5(3) . 1_555 1_555 yes O(4) O(3) C(8) 30.8(2) . 1_555 1_555 yes O(4) O(3) H(9) 119.7 . 1_555 1_555 no O(4) O(3) H(10) 126.1 . 1_555 1_555 no O(4) O(3) H(11) 169.5 . 1_555 1_555 no O(4) O(3) H(12) 125.8 . 1_555 1_555 no O(4) O(3) H(13) 60.3 . 1_555 1_555 no O(4) O(3) H(14) 82.0 . 1_555 1_555 no O(4) O(3) H(15) 43.3 . 1_555 1_555 no C(5) O(3) C(6) 33.4(4) . 1_555 1_555 yes C(5) O(3) C(7) 126.2(5) . 1_555 1_555 yes C(5) O(3) C(8) 144.6(3) . 1_555 1_555 yes C(5) O(3) H(9) 13.8 . 1_555 1_555 no C(5) O(3) H(10) 18.0 . 1_555 1_555 no C(5) O(3) H(11) 51.9 . 1_555 1_555 no C(5) O(3) H(12) 52.7 . 1_555 1_555 no C(5) O(3) H(13) 100.0 . 1_555 1_555 no C(5) O(3) H(14) 128.2 . 1_555 1_555 no C(5) O(3) H(15) 160.9 . 1_555 1_555 no C(6) O(3) C(7) 113.1(7) . 1_555 1_555 yes C(6) O(3) C(8) 148.9(6) . 1_555 1_555 yes C(6) O(3) H(9) 25.5 . 1_555 1_555 no C(6) O(3) H(10) 38.4 . 1_555 1_555 no C(6) O(3) H(11) 27.1 . 1_555 1_555 no C(6) O(3) H(12) 27.9 . 1_555 1_555 no C(6) O(3) H(13) 95.1 . 1_555 1_555 no C(6) O(3) H(14) 101.5 . 1_555 1_555 no C(6) O(3) H(15) 163.1 . 1_555 1_555 no C(7) O(3) C(8) 36.6(3) . 1_555 1_555 yes C(7) O(3) H(9) 114.1 . 1_555 1_555 no C(7) O(3) H(10) 143.9 . 1_555 1_555 no C(7) O(3) H(11) 123.4 . 1_555 1_555 no C(7) O(3) H(12) 85.2 . 1_555 1_555 no C(7) O(3) H(13) 27.0 . 1_555 1_555 no C(7) O(3) H(14) 27.1 . 1_555 1_555 no C(7) O(3) H(15) 53.5 . 1_555 1_555 no C(8) O(3) H(9) 139.6 . 1_555 1_555 no C(8) O(3) H(10) 156.6 . 1_555 1_555 no C(8) O(3) H(11) 155.7 . 1_555 1_555 no C(8) O(3) H(12) 121.2 . 1_555 1_555 no C(8) O(3) H(13) 54.3 . 1_555 1_555 no C(8) O(3) H(14) 54.7 . 1_555 1_555 no C(8) O(3) H(15) 22.5 . 1_555 1_555 no H(9) O(3) H(10) 29.9 . 1_555 1_555 no H(9) O(3) H(11) 49.8 . 1_555 1_555 no H(9) O(3) H(12) 39.5 . 1_555 1_555 no H(9) O(3) H(13) 89.1 . 1_555 1_555 no H(9) O(3) H(14) 114.5 . 1_555 1_555 no H(9) O(3) H(15) 161.5 . 1_555 1_555 no H(10) O(3) H(11) 45.9 . 1_555 1_555 no H(10) O(3) H(12) 64.0 . 1_555 1_555 no H(10) O(3) H(13) 118.0 . 1_555 1_555 no H(10) O(3) H(14) 139.9 . 1_555 1_555 no H(10) O(3) H(15) 158.3 . 1_555 1_555 no H(11) O(3) H(12) 47.0 . 1_555 1_555 no H(11) O(3) H(13) 115.1 . 1_555 1_555 no H(11) O(3) H(14) 101.6 . 1_555 1_555 no H(11) O(3) H(15) 146.9 . 1_555 1_555 no H(12) O(3) H(13) 69.0 . 1_555 1_555 no H(12) O(3) H(14) 76.4 . 1_555 1_555 no H(12) O(3) H(15) 137.3 . 1_555 1_555 no H(13) O(3) H(14) 46.5 . 1_555 1_555 no H(13) O(3) H(15) 75.6 . 1_555 1_555 no H(14) O(3) H(15) 61.8 . 1_555 1_555 no Ag(1) O(4) O(3) 64.3(1) . 1_555 1_555 yes Ag(1) O(4) N(1) 54.8(1) . 1_555 1_555 yes Ag(1) O(4) C(7) 94.3(2) . 1_555 1_555 yes Ag(1) O(4) C(8) 112.3(3) . 1_555 1_555 yes Ag(1) O(4) C(9) 105.3(3) . 1_555 1_555 yes Ag(1) O(4) C(10) 84.8(2) . 1_555 1_555 yes Ag(1) O(4) H(13) 101.5 . 1_555 1_555 no Ag(1) O(4) H(15) 95.2 . 1_555 1_555 no Ag(1) O(4) H(16) 139.2 . 1_555 1_555 no Ag(1) O(4) H(17) 132.1 . 1_555 1_555 no Ag(1) O(4) H(18) 91.3 . 1_555 1_555 no Ag(1) O(4) H(20) 91.2 . 1_555 1_555 no O(3) O(4) N(1) 118.7(2) . 1_555 1_555 yes O(3) O(4) C(7) 30.0(2) . 1_555 1_555 yes O(3) O(4) C(8) 57.3(3) . 1_555 1_555 yes O(3) O(4) C(9) 156.6(4) . 1_555 1_555 yes O(3) O(4) C(10) 147.8(2) . 1_555 1_555 yes O(3) O(4) H(13) 43.3 . 1_555 1_555 no O(3) O(4) H(15) 61.0 . 1_555 1_555 no O(3) O(4) H(16) 82.1 . 1_555 1_555 no O(3) O(4) H(17) 155.5 . 1_555 1_555 no O(3) O(4) H(18) 129.7 . 1_555 1_555 no O(3) O(4) H(20) 141.5 . 1_555 1_555 no N(1) O(4) C(7) 148.2(3) . 1_555 1_555 yes N(1) O(4) C(8) 154.8(4) . 1_555 1_555 yes N(1) O(4) C(9) 57.8(3) . 1_555 1_555 yes N(1) O(4) C(10) 30.0(2) . 1_555 1_555 yes N(1) O(4) H(13) 144.0 . 1_555 1_555 no N(1) O(4) H(15) 127.5 . 1_555 1_555 no N(1) O(4) H(16) 153.7 . 1_555 1_555 no N(1) O(4) H(17) 81.9 . 1_555 1_555 no N(1) O(4) H(18) 61.4 . 1_555 1_555 no N(1) O(4) H(20) 42.4 . 1_555 1_555 no C(7) O(4) C(8) 36.8(4) . 1_555 1_555 yes C(7) O(4) C(9) 151.1(4) . 1_555 1_555 yes C(7) O(4) C(10) 170.1(3) . 1_555 1_555 yes C(7) O(4) H(13) 22.6 . 1_555 1_555 no C(7) O(4) H(15) 55.0 . 1_555 1_555 no C(7) O(4) H(16) 55.6 . 1_555 1_555 no C(7) O(4) H(17) 129.7 . 1_555 1_555 no C(7) O(4) H(18) 134.9 . 1_555 1_555 no C(7) O(4) H(20) 147.8 . 1_555 1_555 no C(8) O(4) C(9) 114.6(5) . 1_555 1_555 yes C(8) O(4) C(10) 151.8(4) . 1_555 1_555 yes C(8) O(4) H(13) 53.3 . 1_555 1_555 no C(8) O(4) H(15) 27.3 . 1_555 1_555 no C(8) O(4) H(16) 27.3 . 1_555 1_555 no C(8) O(4) H(17) 98.3 . 1_555 1_555 no C(8) O(4) H(18) 100.7 . 1_555 1_555 no C(8) O(4) H(20) 156.5 . 1_555 1_555 no C(9) O(4) C(10) 37.3(3) . 1_555 1_555 yes C(9) O(4) H(13) 153.2 . 1_555 1_555 no C(9) O(4) H(15) 101.4 . 1_555 1_555 no C(9) O(4) H(16) 96.6 . 1_555 1_555 no C(9) O(4) H(17) 26.8 . 1_555 1_555 no C(9) O(4) H(18) 26.9 . 1_555 1_555 no C(9) O(4) H(20) 54.4 . 1_555 1_555 no C(10) O(4) H(13) 148.1 . 1_555 1_555 no C(10) O(4) H(15) 134.9 . 1_555 1_555 no C(10) O(4) H(16) 129.7 . 1_555 1_555 no C(10) O(4) H(17) 55.2 . 1_555 1_555 no C(10) O(4) H(18) 55.0 . 1_555 1_555 no C(10) O(4) H(20) 22.7 . 1_555 1_555 no H(13) O(4) H(15) 76.1 . 1_555 1_555 no H(13) O(4) H(16) 62.1 . 1_555 1_555 no H(13) O(4) H(17) 126.4 . 1_555 1_555 no H(13) O(4) H(18) 153.7 . 1_555 1_555 no H(13) O(4) H(20) 125.5 . 1_555 1_555 no H(15) O(4) H(16) 46.2 . 1_555 1_555 no H(15) O(4) H(17) 96.4 . 1_555 1_555 no H(15) O(4) H(18) 80.0 . 1_555 1_555 no H(15) O(4) H(20) 155.7 . 1_555 1_555 no H(16) O(4) H(17) 74.6 . 1_555 1_555 no H(16) O(4) H(18) 93.3 . 1_555 1_555 no H(16) O(4) H(20) 129.3 . 1_555 1_555 no H(17) O(4) H(18) 45.9 . 1_555 1_555 no H(17) O(4) H(20) 62.6 . 1_555 1_555 no H(18) O(4) H(20) 76.5 . 1_555 1_555 no S(1) O(5) F(1) 63.3(2) . 1_555 1_555 yes S(1) O(5) F(2) 59.7(2) . 1_555 1_555 yes S(1) O(5) O(6) 31.9(2) . 1_555 1_555 yes S(1) O(5) O(7) 32.4(2) . 1_555 1_555 yes S(1) O(5) C(17) 42.7(2) . 1_555 1_555 yes S(1) O(5) H(1) 111.5 . 1_555 3_666 no S(1) O(5) H(6) 94.3 . 1_555 4_555 no S(1) O(5) H(8) 130.2 . 1_555 4_555 no S(1) O(5) H(17) 107.5 . 1_555 2_646 no S(1) O(5) H(21) 91.6 . 1_555 3_666 no S(1) O(5) H(23) 132.8 . 1_555 3_666 no F(1) O(5) F(2) 40.3(2) . 1_555 1_555 yes F(1) O(5) O(6) 69.5(2) . 1_555 1_555 yes F(1) O(5) O(7) 86.0(2) . 1_555 1_555 yes F(1) O(5) C(17) 25.2(2) . 1_555 1_555 yes F(1) O(5) H(1) 76.3 . 1_555 3_666 no F(1) O(5) H(6) 59.1 . 1_555 4_555 no F(1) O(5) H(8) 69.3 . 1_555 4_555 no F(1) O(5) H(17) 130.5 . 1_555 2_646 no F(1) O(5) H(21) 105.7 . 1_555 3_666 no F(1) O(5) H(23) 148.0 . 1_555 3_666 no F(2) O(5) O(6) 85.4(2) . 1_555 1_555 yes F(2) O(5) O(7) 61.8(2) . 1_555 1_555 yes F(2) O(5) C(17) 27.2(2) . 1_555 1_555 yes F(2) O(5) H(1) 53.8 . 1_555 3_666 no F(2) O(5) H(6) 99.2 . 1_555 4_555 no F(2) O(5) H(8) 93.2 . 1_555 4_555 no F(2) O(5) H(17) 165.8 . 1_555 2_646 no F(2) O(5) H(21) 65.9 . 1_555 3_666 no F(2) O(5) H(23) 116.8 . 1_555 3_666 no O(6) O(5) O(7) 59.2(3) . 1_555 1_555 yes O(6) O(5) C(17) 60.7(3) . 1_555 1_555 yes O(6) O(5) H(1) 139.1 . 1_555 3_666 no O(6) O(5) H(6) 70.6 . 1_555 4_555 no O(6) O(5) H(8) 115.8 . 1_555 4_555 no O(6) O(5) H(17) 80.5 . 1_555 2_646 no O(6) O(5) H(21) 121.3 . 1_555 3_666 no O(6) O(5) H(23) 140.6 . 1_555 3_666 no O(7) O(5) C(17) 60.9(2) . 1_555 1_555 yes O(7) O(5) H(1) 97.5 . 1_555 3_666 no O(7) O(5) H(6) 126.6 . 1_555 4_555 no O(7) O(5) H(8) 154.1 . 1_555 4_555 no O(7) O(5) H(17) 111.5 . 1_555 2_646 no O(7) O(5) H(21) 62.2 . 1_555 3_666 no O(7) O(5) H(23) 101.2 . 1_555 3_666 no C(17) O(5) H(1) 78.8 . 1_555 3_666 no C(17) O(5) H(6) 80.2 . 1_555 4_555 no C(17) O(5) H(8) 93.9 . 1_555 4_555 no C(17) O(5) H(17) 139.0 . 1_555 2_646 no C(17) O(5) H(21) 90.1 . 1_555 3_666 no C(17) O(5) H(23) 143.3 . 1_555 3_666 no H(1) O(5) H(6) 109.8 . 3_666 4_555 no H(1) O(5) H(8) 69.7 . 3_666 4_555 no H(1) O(5) H(17) 140.2 . 3_666 2_646 no H(1) O(5) H(21) 48.6 . 3_666 3_666 no H(1) O(5) H(23) 71.9 . 3_666 3_666 no H(6) O(5) H(8) 46.2 . 4_555 4_555 no H(6) O(5) H(17) 74.4 . 4_555 2_646 no H(6) O(5) H(21) 158.1 . 4_555 3_666 no H(6) O(5) H(23) 130.2 . 4_555 3_666 no H(8) O(5) H(17) 91.3 . 4_555 2_646 no H(8) O(5) H(21) 115.9 . 4_555 3_666 no H(8) O(5) H(23) 96.1 . 4_555 3_666 no H(17) O(5) H(21) 123.6 . 2_646 3_666 no H(17) O(5) H(23) 76.0 . 2_646 3_666 no H(21) O(5) H(23) 54.0 . 3_666 3_666 no S(1) O(6) F(1) 58.3(3) . 1_555 1_555 yes S(1) O(6) F(3) 64.6(2) . 1_555 1_555 yes S(1) O(6) O(5) 32.9(2) . 1_555 1_555 yes S(1) O(6) O(7) 33.1(2) . 1_555 1_555 yes S(1) O(6) C(17) 44.5(3) . 1_555 1_555 yes S(1) O(6) H(6) 87.8 . 1_555 4_555 no S(1) O(6) H(11) 134.9 . 1_555 3_656 no S(1) O(6) H(16) 128.0 . 1_555 2_646 no S(1) O(6) H(18) 96.9 . 1_555 4_455 no S(1) O(6) H(26) 81.2 . 1_555 4_455 no F(1) O(6) F(3) 40.7(2) . 1_555 1_555 yes F(1) O(6) O(5) 63.3(2) . 1_555 1_555 yes F(1) O(6) O(7) 83.5(3) . 1_555 1_555 yes F(1) O(6) C(17) 23.3(2) . 1_555 1_555 yes F(1) O(6) H(6) 55.8 . 1_555 4_555 no F(1) O(6) H(11) 99.8 . 1_555 3_656 no F(1) O(6) H(16) 133.5 . 1_555 2_646 no F(1) O(6) H(18) 153.6 . 1_555 4_455 no F(1) O(6) H(26) 95.1 . 1_555 4_455 no F(3) O(6) O(5) 89.3(2) . 1_555 1_555 yes F(3) O(6) O(7) 68.2(2) . 1_555 1_555 yes F(3) O(6) C(17) 26.7(2) . 1_555 1_555 yes F(3) O(6) H(6) 94.9 . 1_555 4_555 no F(3) O(6) H(11) 73.7 . 1_555 3_656 no F(3) O(6) H(16) 164.3 . 1_555 2_646 no F(3) O(6) H(18) 123.7 . 1_555 4_455 no F(3) O(6) H(26) 55.2 . 1_555 4_455 no O(5) O(6) O(7) 60.8(2) . 1_555 1_555 yes O(5) O(6) C(17) 63.3(2) . 1_555 1_555 yes O(5) O(6) H(6) 62.8 . 1_555 4_555 no O(5) O(6) H(11) 162.4 . 1_555 3_656 no O(5) O(6) H(16) 99.3 . 1_555 2_646 no O(5) O(6) H(18) 101.7 . 1_555 4_455 no O(5) O(6) H(26) 113.5 . 1_555 4_455 no O(7) O(6) C(17) 62.3(3) . 1_555 1_555 yes O(7) O(6) H(6) 120.7 . 1_555 4_555 no O(7) O(6) H(11) 115.0 . 1_555 3_656 no O(7) O(6) H(16) 127.5 . 1_555 2_646 no O(7) O(6) H(18) 70.1 . 1_555 4_455 no O(7) O(6) H(26) 54.5 . 1_555 4_455 no C(17) O(6) H(6) 77.7 . 1_555 4_555 no C(17) O(6) H(11) 99.3 . 1_555 3_656 no C(17) O(6) H(16) 154.6 . 1_555 2_646 no C(17) O(6) H(18) 131.5 . 1_555 4_455 no C(17) O(6) H(26) 74.9 . 1_555 4_455 no H(6) O(6) H(11) 113.0 . 4_555 3_656 no H(6) O(6) H(16) 77.7 . 4_555 2_646 no H(6) O(6) H(18) 139.3 . 4_555 4_455 no H(6) O(6) H(26) 150.0 . 4_555 4_455 no H(11) O(6) H(16) 96.2 . 3_656 2_646 no H(11) O(6) H(18) 91.9 . 3_656 4_455 no H(11) O(6) H(26) 60.6 . 3_656 4_455 no H(16) O(6) H(18) 67.6 . 2_646 4_455 no H(16) O(6) H(26) 130.5 . 2_646 4_455 no H(18) O(6) H(26) 70.1 . 4_455 4_455 no Ag(1) O(7) S(1) 152.6(4) . 4_455 1_555 yes Ag(1) O(7) F(2) 138.0(3) . 4_455 1_555 yes Ag(1) O(7) F(3) 123.5(2) . 4_455 1_555 yes Ag(1) O(7) O(5) 148.1(2) . 4_455 1_555 yes Ag(1) O(7) O(6) 121.4(3) . 4_455 1_555 yes Ag(1) O(7) C(17) 148.7(2) . 4_455 1_555 yes Ag(1) O(7) H(15) 67.5 . 4_455 4_455 no Ag(1) O(7) H(21) 102.9 . 4_455 3_666 no Ag(1) O(7) H(24) 65.6 . 4_455 2_545 no Ag(1) O(7) H(26) 68.7 . 4_455 4_455 no S(1) O(7) F(2) 66.2(3) . 1_555 1_555 yes S(1) O(7) F(3) 61.6(2) . 1_555 1_555 yes S(1) O(7) O(5) 32.7(2) . 1_555 1_555 yes S(1) O(7) O(6) 32.5(2) . 1_555 1_555 yes S(1) O(7) C(17) 44.1(2) . 1_555 1_555 yes S(1) O(7) H(15) 100.8 . 1_555 4_455 no S(1) O(7) H(21) 97.9 . 1_555 3_666 no S(1) O(7) H(24) 141.3 . 1_555 2_545 no S(1) O(7) H(26) 100.3 . 1_555 4_455 no F(2) O(7) F(3) 42.9(2) . 1_555 1_555 yes F(2) O(7) O(5) 69.9(2) . 1_555 1_555 yes F(2) O(7) O(6) 90.2(3) . 1_555 1_555 yes F(2) O(7) C(17) 29.2(2) . 1_555 1_555 yes F(2) O(7) H(15) 141.7 . 1_555 4_455 no F(2) O(7) H(21) 70.3 . 1_555 3_666 no F(2) O(7) H(24) 75.8 . 1_555 2_545 no F(2) O(7) H(26) 97.3 . 1_555 4_455 no F(3) O(7) O(5) 87.1(2) . 1_555 1_555 yes F(3) O(7) O(6) 64.5(2) . 1_555 1_555 yes F(3) O(7) C(17) 25.8(2) . 1_555 1_555 yes F(3) O(7) H(15) 160.2 . 1_555 4_455 no F(3) O(7) H(21) 113.2 . 1_555 3_666 no F(3) O(7) H(24) 95.1 . 1_555 2_545 no F(3) O(7) H(26) 58.7 . 1_555 4_455 no O(5) O(7) O(6) 60.1(2) . 1_555 1_555 yes O(5) O(7) C(17) 62.9(2) . 1_555 1_555 yes O(5) O(7) H(15) 80.6 . 1_555 4_455 no O(5) O(7) H(21) 68.3 . 1_555 3_666 no O(5) O(7) H(24) 126.0 . 1_555 2_545 no O(5) O(7) H(26) 133.0 . 1_555 4_455 no O(6) O(7) C(17) 61.7(3) . 1_555 1_555 yes O(6) O(7) H(15) 95.8 . 1_555 4_455 no O(6) O(7) H(21) 128.3 . 1_555 3_666 no O(6) O(7) H(24) 159.2 . 1_555 2_545 no O(6) O(7) H(26) 75.5 . 1_555 4_455 no C(17) O(7) H(15) 142.9 . 1_555 4_455 no C(17) O(7) H(21) 94.3 . 1_555 3_666 no C(17) O(7) H(24) 101.8 . 1_555 2_545 no C(17) O(7) H(26) 83.8 . 1_555 4_455 no H(15) O(7) H(21) 76.5 . 4_455 3_666 no H(15) O(7) H(24) 104.7 . 4_455 2_545 no H(15) O(7) H(26) 120.8 . 4_455 4_455 no H(21) O(7) H(24) 61.4 . 3_666 2_545 no H(21) O(7) H(26) 151.5 . 3_666 4_455 no H(24) O(7) H(26) 91.0 . 2_545 4_455 no Ag(1) N(1) O(1) 56.5(1) . 1_555 1_555 yes Ag(1) N(1) O(4) 52.6(1) . 1_555 1_555 yes Ag(1) N(1) C(1) 108.1(3) . 1_555 1_555 yes Ag(1) N(1) C(2) 83.0(2) . 1_555 1_555 yes Ag(1) N(1) C(9) 77.9(2) . 1_555 1_555 yes Ag(1) N(1) C(10) 105.6(3) . 1_555 1_555 yes Ag(1) N(1) C(11) 115.5(3) . 1_555 1_555 yes Ag(1) N(1) C(12) 91.9(2) . 1_555 1_555 yes Ag(1) N(1) H(1) 134.1 . 1_555 1_555 no Ag(1) N(1) H(2) 100.6 . 1_555 1_555 no Ag(1) N(1) H(4) 84.0 . 1_555 1_555 no Ag(1) N(1) H(18) 76.2 . 1_555 1_555 no Ag(1) N(1) H(19) 129.9 . 1_555 1_555 no Ag(1) N(1) H(20) 101.5 . 1_555 1_555 no Ag(1) N(1) H(21) 141.7 . 1_555 1_555 no Ag(1) N(1) H(22) 105.1 . 1_555 1_555 no O(1) N(1) O(4) 83.9(2) . 1_555 1_555 yes O(1) N(1) C(1) 52.7(3) . 1_555 1_555 yes O(1) N(1) C(2) 28.1(2) . 1_555 1_555 yes O(1) N(1) C(9) 111.8(2) . 1_555 1_555 yes O(1) N(1) C(10) 113.0(3) . 1_555 1_555 yes O(1) N(1) C(11) 139.1(3) . 1_555 1_555 yes O(1) N(1) C(12) 107.0(2) . 1_555 1_555 yes O(1) N(1) H(1) 77.6 . 1_555 1_555 no O(1) N(1) H(2) 57.2 . 1_555 1_555 no O(1) N(1) H(4) 40.3 . 1_555 1_555 no O(1) N(1) H(18) 124.1 . 1_555 1_555 no O(1) N(1) H(19) 133.0 . 1_555 1_555 no O(1) N(1) H(20) 88.3 . 1_555 1_555 no O(1) N(1) H(21) 137.7 . 1_555 1_555 no O(1) N(1) H(22) 154.0 . 1_555 1_555 no O(4) N(1) C(1) 125.8(3) . 1_555 1_555 yes O(4) N(1) C(2) 93.6(2) . 1_555 1_555 yes O(4) N(1) C(9) 29.3(2) . 1_555 1_555 yes O(4) N(1) C(10) 53.1(3) . 1_555 1_555 yes O(4) N(1) C(11) 125.3(3) . 1_555 1_555 yes O(4) N(1) C(12) 129.3(2) . 1_555 1_555 yes O(4) N(1) H(1) 129.7 . 1_555 1_555 no O(4) N(1) H(2) 141.1 . 1_555 1_555 no O(4) N(1) H(4) 77.3 . 1_555 1_555 no O(4) N(1) H(18) 41.4 . 1_555 1_555 no O(4) N(1) H(19) 77.9 . 1_555 1_555 no O(4) N(1) H(20) 56.5 . 1_555 1_555 no O(4) N(1) H(21) 138.4 . 1_555 1_555 no O(4) N(1) H(22) 99.1 . 1_555 1_555 no C(1) N(1) C(2) 33.0(3) . 1_555 1_555 yes C(1) N(1) C(9) 139.2(4) . 1_555 1_555 yes C(1) N(1) C(10) 111.1(4) . 1_555 1_555 yes C(1) N(1) C(11) 108.8(4) . 1_555 1_555 yes C(1) N(1) C(12) 96.8(3) . 1_555 1_555 yes C(1) N(1) H(1) 27.2 . 1_555 1_555 no C(1) N(1) H(2) 27.1 . 1_555 1_555 no C(1) N(1) H(4) 48.8 . 1_555 1_555 no C(1) N(1) H(18) 160.3 . 1_555 1_555 no C(1) N(1) H(19) 106.9 . 1_555 1_555 no C(1) N(1) H(20) 87.9 . 1_555 1_555 no C(1) N(1) H(21) 90.3 . 1_555 1_555 no C(1) N(1) H(22) 134.4 . 1_555 1_555 no C(2) N(1) C(9) 114.0(3) . 1_555 1_555 yes C(2) N(1) C(10) 98.9(4) . 1_555 1_555 yes C(2) N(1) C(11) 140.8(4) . 1_555 1_555 yes C(2) N(1) C(12) 119.4(3) . 1_555 1_555 yes C(2) N(1) H(1) 52.3 . 1_555 1_555 no C(2) N(1) H(2) 51.5 . 1_555 1_555 no C(2) N(1) H(4) 21.3 . 1_555 1_555 no C(2) N(1) H(18) 133.7 . 1_555 1_555 no C(2) N(1) H(19) 110.2 . 1_555 1_555 no C(2) N(1) H(20) 71.9 . 1_555 1_555 no C(2) N(1) H(21) 122.9 . 1_555 1_555 no C(2) N(1) H(22) 167.3 . 1_555 1_555 no C(9) N(1) C(10) 33.6(3) . 1_555 1_555 yes C(9) N(1) C(11) 103.9(3) . 1_555 1_555 yes C(9) N(1) C(12) 123.7(3) . 1_555 1_555 yes C(9) N(1) H(1) 125.8 . 1_555 1_555 no C(9) N(1) H(2) 165.3 . 1_555 1_555 no C(9) N(1) H(4) 93.6 . 1_555 1_555 no C(9) N(1) H(18) 21.4 . 1_555 1_555 no C(9) N(1) H(19) 52.3 . 1_555 1_555 no C(9) N(1) H(20) 51.9 . 1_555 1_555 no C(9) N(1) H(21) 110.0 . 1_555 1_555 no C(9) N(1) H(22) 77.8 . 1_555 1_555 no C(10) N(1) C(11) 107.7(4) . 1_555 1_555 yes C(10) N(1) C(12) 139.7(4) . 1_555 1_555 yes C(10) N(1) H(1) 92.5 . 1_555 1_555 no C(10) N(1) H(2) 137.2 . 1_555 1_555 no C(10) N(1) H(4) 78.1 . 1_555 1_555 no C(10) N(1) H(18) 50.1 . 1_555 1_555 no C(10) N(1) H(19) 26.9 . 1_555 1_555 no C(10) N(1) H(20) 26.9 . 1_555 1_555 no C(10) N(1) H(21) 98.1 . 1_555 1_555 no C(10) N(1) H(22) 88.5 . 1_555 1_555 no C(11) N(1) C(12) 33.3(2) . 1_555 1_555 yes C(11) N(1) H(1) 97.5 . 1_555 1_555 no C(11) N(1) H(2) 90.0 . 1_555 1_555 no C(11) N(1) H(4) 155.9 . 1_555 1_555 no C(11) N(1) H(18) 85.3 . 1_555 1_555 no C(11) N(1) H(19) 84.9 . 1_555 1_555 no C(11) N(1) H(20) 130.5 . 1_555 1_555 no C(11) N(1) H(21) 26.7 . 1_555 1_555 no C(11) N(1) H(22) 26.6 . 1_555 1_555 no C(12) N(1) H(1) 100.9 . 1_555 1_555 no C(12) N(1) H(2) 70.8 . 1_555 1_555 no C(12) N(1) H(4) 140.7 . 1_555 1_555 no C(12) N(1) H(18) 102.4 . 1_555 1_555 no C(12) N(1) H(19) 118.2 . 1_555 1_555 no C(12) N(1) H(20) 163.7 . 1_555 1_555 no C(12) N(1) H(21) 51.8 . 1_555 1_555 no C(12) N(1) H(22) 51.5 . 1_555 1_555 no H(1) N(1) H(2) 45.9 . 1_555 1_555 no H(1) N(1) H(4) 58.5 . 1_555 1_555 no H(1) N(1) H(18) 140.6 . 1_555 1_555 no H(1) N(1) H(19) 81.5 . 1_555 1_555 no H(1) N(1) H(20) 76.4 . 1_555 1_555 no H(1) N(1) H(21) 72.9 . 1_555 1_555 no H(1) N(1) H(22) 117.5 . 1_555 1_555 no H(2) N(1) H(4) 71.6 . 1_555 1_555 no H(2) N(1) H(18) 172.5 . 1_555 1_555 no H(2) N(1) H(19) 125.9 . 1_555 1_555 no H(2) N(1) H(20) 115.0 . 1_555 1_555 no H(2) N(1) H(21) 80.5 . 1_555 1_555 no H(2) N(1) H(22) 116.5 . 1_555 1_555 no H(4) N(1) H(18) 114.3 . 1_555 1_555 no H(4) N(1) H(19) 93.1 . 1_555 1_555 no H(4) N(1) H(20) 51.3 . 1_555 1_555 no H(4) N(1) H(21) 130.8 . 1_555 1_555 no H(4) N(1) H(22) 165.6 . 1_555 1_555 no H(18) N(1) H(19) 59.5 . 1_555 1_555 no H(18) N(1) H(20) 72.4 . 1_555 1_555 no H(18) N(1) H(21) 97.8 . 1_555 1_555 no H(18) N(1) H(22) 58.7 . 1_555 1_555 no H(19) N(1) H(20) 45.7 . 1_555 1_555 no H(19) N(1) H(21) 71.5 . 1_555 1_555 no H(19) N(1) H(22) 72.5 . 1_555 1_555 no H(20) N(1) H(21) 112.8 . 1_555 1_555 no H(20) N(1) H(22) 115.0 . 1_555 1_555 no H(21) N(1) H(22) 45.2 . 1_555 1_555 no Ag(1) N(2) C(12) 170.2(2) . 3_665 1_555 yes Ag(1) N(2) C(13) 154.1(2) . 3_665 1_555 yes Ag(1) N(2) C(14) 126.0(3) . 3_665 1_555 yes Ag(1) N(2) C(15) 115.7(3) . 3_665 1_555 yes Ag(1) N(2) C(16) 144.4(2) . 3_665 1_555 yes Ag(1) N(2) H(24) 100.5 . 3_665 1_555 no Ag(1) N(2) H(25) 90.8 . 3_665 1_555 no C(12) N(2) C(13) 29.8(2) . 1_555 1_555 yes C(12) N(2) C(14) 58.6(3) . 1_555 1_555 yes C(12) N(2) C(15) 59.0(3) . 1_555 1_555 yes C(12) N(2) C(16) 29.6(2) . 1_555 1_555 yes C(12) N(2) H(24) 84.4 . 1_555 1_555 no C(12) N(2) H(25) 84.4 . 1_555 1_555 no C(13) N(2) C(14) 28.8(3) . 1_555 1_555 yes C(13) N(2) C(15) 88.8(3) . 1_555 1_555 yes C(13) N(2) C(16) 59.4(2) . 1_555 1_555 yes C(13) N(2) H(24) 54.6 . 1_555 1_555 no C(13) N(2) H(25) 114.1 . 1_555 1_555 no C(14) N(2) C(15) 117.6(4) . 1_555 1_555 yes C(14) N(2) C(16) 88.2(3) . 1_555 1_555 yes C(14) N(2) H(24) 25.8 . 1_555 1_555 no C(14) N(2) H(25) 142.9 . 1_555 1_555 no C(15) N(2) C(16) 29.4(3) . 1_555 1_555 yes C(15) N(2) H(24) 143.4 . 1_555 1_555 no C(15) N(2) H(25) 25.3 . 1_555 1_555 no C(16) N(2) H(24) 114.0 . 1_555 1_555 no C(16) N(2) H(25) 54.7 . 1_555 1_555 no H(24) N(2) H(25) 168.6 . 1_555 1_555 no O(1) C(1) N(1) 97.6(4) . 1_555 1_555 yes O(1) C(1) C(2) 33.7(3) . 1_555 1_555 yes O(1) C(1) C(10) 103.8(3) . 1_555 1_555 yes O(1) C(1) C(11) 122.5(3) . 1_555 1_555 yes O(1) C(1) C(12) 107.6(2) . 1_555 1_555 yes O(1) C(1) H(1) 143.3 . 1_555 1_555 no O(1) C(1) H(2) 87.4 . 1_555 1_555 no O(1) C(1) H(3) 51.7 . 1_555 1_555 no O(1) C(1) H(4) 52.0 . 1_555 1_555 no O(1) C(1) H(19) 122.9 . 1_555 1_555 no O(1) C(1) H(20) 93.9 . 1_555 1_555 no O(1) C(1) H(21) 144.6 . 1_555 1_555 no O(1) C(1) H(23) 119.5 . 1_555 1_555 no N(1) C(1) C(2) 114.8(5) . 1_555 1_555 yes N(1) C(1) C(10) 34.3(3) . 1_555 1_555 yes N(1) C(1) C(11) 35.7(3) . 1_555 1_555 yes N(1) C(1) C(12) 54.4(3) . 1_555 1_555 yes N(1) C(1) H(1) 107.7 . 1_555 1_555 no N(1) C(1) H(2) 107.4 . 1_555 1_555 no N(1) C(1) H(3) 140.1 . 1_555 1_555 no N(1) C(1) H(4) 98.6 . 1_555 1_555 no N(1) C(1) H(19) 42.8 . 1_555 1_555 no N(1) C(1) H(20) 54.8 . 1_555 1_555 no N(1) C(1) H(21) 53.5 . 1_555 1_555 no N(1) C(1) H(23) 91.4 . 1_555 1_555 no C(2) C(1) C(10) 101.4(4) . 1_555 1_555 yes C(2) C(1) C(11) 149.2(5) . 1_555 1_555 yes C(2) C(1) C(12) 141.3(4) . 1_555 1_555 yes C(2) C(1) H(1) 109.9 . 1_555 1_555 no C(2) C(1) H(2) 108.0 . 1_555 1_555 no C(2) C(1) H(3) 25.6 . 1_555 1_555 no C(2) C(1) H(4) 26.6 . 1_555 1_555 no C(2) C(1) H(19) 115.3 . 1_555 1_555 no C(2) C(1) H(20) 82.0 . 1_555 1_555 no C(2) C(1) H(21) 166.4 . 1_555 1_555 no C(2) C(1) H(23) 141.1 . 1_555 1_555 no C(10) C(1) C(11) 59.1(2) . 1_555 1_555 yes C(10) C(1) C(12) 85.3(2) . 1_555 1_555 yes C(10) C(1) H(1) 84.5 . 1_555 1_555 no C(10) C(1) H(2) 140.4 . 1_555 1_555 no C(10) C(1) H(3) 120.0 . 1_555 1_555 no C(10) C(1) H(4) 76.8 . 1_555 1_555 no C(10) C(1) H(19) 19.3 . 1_555 1_555 no C(10) C(1) H(20) 22.6 . 1_555 1_555 no C(10) C(1) H(21) 65.0 . 1_555 1_555 no C(10) C(1) H(23) 115.4 . 1_555 1_555 no C(11) C(1) C(12) 28.9(2) . 1_555 1_555 yes C(11) C(1) H(1) 92.7 . 1_555 1_555 no C(11) C(1) H(2) 82.7 . 1_555 1_555 no C(11) C(1) H(3) 174.1 . 1_555 1_555 no C(11) C(1) H(4) 133.5 . 1_555 1_555 no C(11) C(1) H(19) 53.6 . 1_555 1_555 no C(11) C(1) H(20) 81.6 . 1_555 1_555 no C(11) C(1) H(21) 22.3 . 1_555 1_555 no C(11) C(1) H(23) 57.7 . 1_555 1_555 no C(12) C(1) H(1) 108.8 . 1_555 1_555 no C(12) C(1) H(2) 55.3 . 1_555 1_555 no C(12) C(1) H(3) 148.7 . 1_555 1_555 no C(12) C(1) H(4) 146.8 . 1_555 1_555 no C(12) C(1) H(19) 82.4 . 1_555 1_555 no C(12) C(1) H(20) 107.7 . 1_555 1_555 no C(12) C(1) H(21) 41.1 . 1_555 1_555 no C(12) C(1) H(23) 39.1 . 1_555 1_555 no H(1) C(1) H(2) 109.0 . 1_555 1_555 no H(1) C(1) H(3) 92.9 . 1_555 1_555 no H(1) C(1) H(4) 97.2 . 1_555 1_555 no H(1) C(1) H(19) 67.7 . 1_555 1_555 no H(1) C(1) H(20) 80.2 . 1_555 1_555 no H(1) C(1) H(21) 71.4 . 1_555 1_555 no H(1) C(1) H(23) 86.7 . 1_555 1_555 no H(2) C(1) H(3) 97.0 . 1_555 1_555 no H(2) C(1) H(4) 134.5 . 1_555 1_555 no H(2) C(1) H(19) 135.0 . 1_555 1_555 no H(2) C(1) H(20) 162.2 . 1_555 1_555 no H(2) C(1) H(21) 83.8 . 1_555 1_555 no H(2) C(1) H(23) 33.8 . 1_555 1_555 no H(3) C(1) H(4) 43.9 . 1_555 1_555 no H(3) C(1) H(19) 127.7 . 1_555 1_555 no H(3) C(1) H(20) 97.8 . 1_555 1_555 no H(3) C(1) H(21) 163.5 . 1_555 1_555 no H(3) C(1) H(23) 124.3 . 1_555 1_555 no H(4) C(1) H(19) 89.0 . 1_555 1_555 no H(4) C(1) H(20) 56.0 . 1_555 1_555 no H(4) C(1) H(21) 140.8 . 1_555 1_555 no H(4) C(1) H(23) 167.6 . 1_555 1_555 no H(19) C(1) H(20) 33.4 . 1_555 1_555 no H(19) C(1) H(21) 51.9 . 1_555 1_555 no H(19) C(1) H(23) 103.4 . 1_555 1_555 no H(20) C(1) H(21) 84.9 . 1_555 1_555 no H(20) C(1) H(23) 136.4 . 1_555 1_555 no H(21) C(1) H(23) 51.6 . 1_555 1_555 no O(1) C(2) N(1) 93.7(3) . 1_555 1_555 yes O(1) C(2) C(1) 109.4(5) . 1_555 1_555 yes O(1) C(2) C(3) 34.9(3) . 1_555 1_555 yes O(1) C(2) C(10) 108.2(4) . 1_555 1_555 yes O(1) C(2) H(1) 135.3 . 1_555 1_555 no O(1) C(2) H(2) 93.3 . 1_555 1_555 no O(1) C(2) H(3) 110.7 . 1_555 1_555 no O(1) C(2) H(4) 110.0 . 1_555 1_555 no O(1) C(2) H(5) 54.2 . 1_555 1_555 no O(1) C(2) H(6) 47.7 . 1_555 1_555 no O(1) C(2) H(20) 115.4 . 1_555 1_555 no N(1) C(2) C(1) 32.2(3) . 1_555 1_555 yes N(1) C(2) C(3) 124.6(4) . 1_555 1_555 yes N(1) C(2) C(10) 27.9(2) . 1_555 1_555 yes N(1) C(2) H(1) 50.4 . 1_555 1_555 no N(1) C(2) H(2) 50.3 . 1_555 1_555 no N(1) C(2) H(3) 143.4 . 1_555 1_555 no N(1) C(2) H(4) 90.7 . 1_555 1_555 no N(1) C(2) H(5) 127.7 . 1_555 1_555 no N(1) C(2) H(6) 141.4 . 1_555 1_555 no N(1) C(2) H(20) 44.9 . 1_555 1_555 no C(1) C(2) C(3) 144.2(5) . 1_555 1_555 yes C(1) C(2) C(10) 50.1(3) . 1_555 1_555 yes C(1) C(2) H(1) 26.1 . 1_555 1_555 no C(1) C(2) H(2) 26.5 . 1_555 1_555 no C(1) C(2) H(3) 111.5 . 1_555 1_555 no C(1) C(2) H(4) 110.0 . 1_555 1_555 no C(1) C(2) H(5) 158.4 . 1_555 1_555 no C(1) C(2) H(6) 146.3 . 1_555 1_555 no C(1) C(2) H(20) 64.1 . 1_555 1_555 no C(3) C(2) C(10) 127.4(4) . 1_555 1_555 yes C(3) C(2) H(1) 169.2 . 1_555 1_555 no C(3) C(2) H(2) 124.4 . 1_555 1_555 no C(3) C(2) H(3) 88.3 . 1_555 1_555 no C(3) C(2) H(4) 91.7 . 1_555 1_555 no C(3) C(2) H(5) 23.4 . 1_555 1_555 no C(3) C(2) H(6) 21.2 . 1_555 1_555 no C(3) C(2) H(20) 123.9 . 1_555 1_555 no C(10) C(2) H(1) 54.1 . 1_555 1_555 no C(10) C(2) H(2) 74.5 . 1_555 1_555 no C(10) C(2) H(3) 141.0 . 1_555 1_555 no C(10) C(2) H(4) 63.7 . 1_555 1_555 no C(10) C(2) H(5) 117.2 . 1_555 1_555 no C(10) C(2) H(6) 148.5 . 1_555 1_555 no C(10) C(2) H(20) 17.0 . 1_555 1_555 no H(1) C(2) H(2) 44.8 . 1_555 1_555 no H(1) C(2) H(3) 94.2 . 1_555 1_555 no H(1) C(2) H(4) 97.7 . 1_555 1_555 no H(1) C(2) H(5) 166.8 . 1_555 1_555 no H(1) C(2) H(6) 156.1 . 1_555 1_555 no H(1) C(2) H(20) 61.0 . 1_555 1_555 no H(2) C(2) H(3) 99.8 . 1_555 1_555 no H(2) C(2) H(4) 136.5 . 1_555 1_555 no H(2) C(2) H(5) 147.1 . 1_555 1_555 no H(2) C(2) H(6) 120.4 . 1_555 1_555 no H(2) C(2) H(20) 89.8 . 1_555 1_555 no H(3) C(2) H(4) 105.2 . 1_555 1_555 no H(3) C(2) H(5) 89.0 . 1_555 1_555 no H(3) C(2) H(6) 67.9 . 1_555 1_555 no H(3) C(2) H(20) 132.2 . 1_555 1_555 no H(4) C(2) H(5) 69.1 . 1_555 1_555 no H(4) C(2) H(6) 102.1 . 1_555 1_555 no H(4) C(2) H(20) 47.2 . 1_555 1_555 no H(5) C(2) H(6) 35.3 . 1_555 1_555 no H(5) C(2) H(20) 107.7 . 1_555 1_555 no H(6) C(2) H(20) 142.8 . 1_555 1_555 no O(1) C(3) O(2) 93.8(5) . 1_555 1_555 yes O(1) C(3) C(2) 34.2(3) . 1_555 1_555 yes O(1) C(3) C(4) 109.7(7) . 1_555 1_555 yes O(1) C(3) H(3) 51.6 . 1_555 1_555 no O(1) C(3) H(4) 50.0 . 1_555 1_555 no O(1) C(3) H(5) 110.5 . 1_555 1_555 no O(1) C(3) H(6) 110.5 . 1_555 1_555 no O(1) C(3) H(7) 91.9 . 1_555 1_555 no O(1) C(3) H(8) 135.7 . 1_555 1_555 no O(2) C(3) C(2) 116.6(4) . 1_555 1_555 yes O(2) C(3) C(4) 34.4(5) . 1_555 1_555 yes O(2) C(3) H(3) 139.2 . 1_555 1_555 no O(2) C(3) H(4) 107.4 . 1_555 1_555 no O(2) C(3) H(5) 87.2 . 1_555 1_555 no O(2) C(3) H(6) 144.7 . 1_555 1_555 no O(2) C(3) H(7) 51.9 . 1_555 1_555 no O(2) C(3) H(8) 53.0 . 1_555 1_555 no C(2) C(3) C(4) 142.3(6) . 1_555 1_555 yes C(2) C(3) H(3) 22.7 . 1_555 1_555 no C(2) C(3) H(4) 22.7 . 1_555 1_555 no C(2) C(3) H(5) 85.7 . 1_555 1_555 no C(2) C(3) H(6) 97.1 . 1_555 1_555 no C(2) C(3) H(7) 125.8 . 1_555 1_555 no C(2) C(3) H(8) 168.6 . 1_555 1_555 no C(4) C(3) H(3) 160.2 . 1_555 1_555 no C(4) C(3) H(4) 140.9 . 1_555 1_555 no C(4) C(3) H(5) 108.6 . 1_555 1_555 no C(4) C(3) H(6) 110.9 . 1_555 1_555 no C(4) C(3) H(7) 26.9 . 1_555 1_555 no C(4) C(3) H(8) 26.5 . 1_555 1_555 no H(3) C(3) H(4) 35.7 . 1_555 1_555 no H(3) C(3) H(5) 86.5 . 1_555 1_555 no H(3) C(3) H(6) 75.2 . 1_555 1_555 no H(3) C(3) H(7) 135.4 . 1_555 1_555 no H(3) C(3) H(8) 167.6 . 1_555 1_555 no H(4) C(3) H(5) 63.7 . 1_555 1_555 no H(4) C(3) H(6) 107.8 . 1_555 1_555 no H(4) C(3) H(7) 138.4 . 1_555 1_555 no H(4) C(3) H(8) 155.3 . 1_555 1_555 no H(5) C(3) H(6) 106.5 . 1_555 1_555 no H(5) C(3) H(7) 135.1 . 1_555 1_555 no H(5) C(3) H(8) 97.6 . 1_555 1_555 no H(6) C(3) H(7) 100.5 . 1_555 1_555 no H(6) C(3) H(8) 92.4 . 1_555 1_555 no H(7) C(3) H(8) 45.6 . 1_555 1_555 no O(1) C(4) O(2) 91.9(5) . 1_555 1_555 yes O(1) C(4) C(3) 34.7(4) . 1_555 1_555 yes O(1) C(4) C(5) 114.5(4) . 1_555 1_555 yes O(1) C(4) H(5) 53.6 . 1_555 1_555 no O(1) C(4) H(6) 53.0 . 1_555 1_555 no O(1) C(4) H(7) 86.2 . 1_555 1_555 no O(1) C(4) H(8) 144.8 . 1_555 1_555 no O(1) C(4) H(9) 130.8 . 1_555 1_555 no O(1) C(4) H(10) 121.0 . 1_555 1_555 no O(2) C(4) C(3) 107.6(9) . 1_555 1_555 yes O(2) C(4) C(5) 23.5(5) . 1_555 1_555 yes O(2) C(4) H(5) 90.6 . 1_555 1_555 no O(2) C(4) H(6) 133.6 . 1_555 1_555 no O(2) C(4) H(7) 108.6 . 1_555 1_555 no O(2) C(4) H(8) 112.1 . 1_555 1_555 no O(2) C(4) H(9) 40.5 . 1_555 1_555 no O(2) C(4) H(10) 41.2 . 1_555 1_555 no C(3) C(4) C(5) 130.0(7) . 1_555 1_555 yes C(3) C(4) H(5) 27.6 . 1_555 1_555 no C(3) C(4) H(6) 26.4 . 1_555 1_555 no C(3) C(4) H(7) 109.2 . 1_555 1_555 no C(3) C(4) H(8) 110.8 . 1_555 1_555 no C(3) C(4) H(9) 131.1 . 1_555 1_555 no C(3) C(4) H(10) 147.7 . 1_555 1_555 no C(5) C(4) H(5) 108.9 . 1_555 1_555 no C(5) C(4) H(6) 154.3 . 1_555 1_555 no C(5) C(4) H(7) 102.3 . 1_555 1_555 no C(5) C(4) H(8) 94.0 . 1_555 1_555 no C(5) C(4) H(9) 23.0 . 1_555 1_555 no C(5) C(4) H(10) 22.2 . 1_555 1_555 no H(5) C(4) H(6) 45.5 . 1_555 1_555 no H(5) C(4) H(7) 136.5 . 1_555 1_555 no H(5) C(4) H(8) 99.0 . 1_555 1_555 no H(5) C(4) H(9) 104.3 . 1_555 1_555 no H(5) C(4) H(10) 130.7 . 1_555 1_555 no H(6) C(4) H(7) 99.2 . 1_555 1_555 no H(6) C(4) H(8) 92.4 . 1_555 1_555 no H(6) C(4) H(9) 144.6 . 1_555 1_555 no H(6) C(4) H(10) 173.8 . 1_555 1_555 no H(7) C(4) H(8) 108.5 . 1_555 1_555 no H(7) C(4) H(9) 115.8 . 1_555 1_555 no H(7) C(4) H(10) 81.5 . 1_555 1_555 no H(8) C(4) H(9) 72.3 . 1_555 1_555 no H(8) C(4) H(10) 93.3 . 1_555 1_555 no H(9) C(4) H(10) 36.2 . 1_555 1_555 no O(2) C(5) O(3) 94.7(5) . 1_555 1_555 yes O(2) C(5) C(4) 26.2(5) . 1_555 1_555 yes O(2) C(5) C(6) 126.2(8) . 1_555 1_555 yes O(2) C(5) H(7) 37.6 . 1_555 1_555 no O(2) C(5) H(8) 45.3 . 1_555 1_555 no O(2) C(5) H(9) 104.9 . 1_555 1_555 no O(2) C(5) H(10) 103.2 . 1_555 1_555 no O(2) C(5) H(11) 146.2 . 1_555 1_555 no O(2) C(5) H(12) 124.0 . 1_555 1_555 no O(3) C(5) C(4) 119.8(4) . 1_555 1_555 yes O(3) C(5) C(6) 33.9(4) . 1_555 1_555 yes O(3) C(5) H(7) 117.8 . 1_555 1_555 no O(3) C(5) H(8) 139.9 . 1_555 1_555 no O(3) C(5) H(9) 131.7 . 1_555 1_555 no O(3) C(5) H(10) 109.9 . 1_555 1_555 no O(3) C(5) H(11) 52.9 . 1_555 1_555 no O(3) C(5) H(12) 52.8 . 1_555 1_555 no C(4) C(5) C(6) 152.4(6) . 1_555 1_555 yes C(4) C(5) H(7) 20.3 . 1_555 1_555 no C(4) C(5) H(8) 21.9 . 1_555 1_555 no C(4) C(5) H(9) 91.2 . 1_555 1_555 no C(4) C(5) H(10) 86.7 . 1_555 1_555 no C(4) C(5) H(11) 162.8 . 1_555 1_555 no C(4) C(5) H(12) 144.6 . 1_555 1_555 no C(6) C(5) H(7) 150.5 . 1_555 1_555 no C(6) C(5) H(8) 165.0 . 1_555 1_555 no C(6) C(5) H(9) 105.2 . 1_555 1_555 no C(6) C(5) H(10) 108.4 . 1_555 1_555 no C(6) C(5) H(11) 27.7 . 1_555 1_555 no C(6) C(5) H(12) 27.7 . 1_555 1_555 no H(7) C(5) H(8) 34.2 . 1_555 1_555 no H(7) C(5) H(9) 103.7 . 1_555 1_555 no H(7) C(5) H(10) 67.8 . 1_555 1_555 no H(7) C(5) H(11) 143.9 . 1_555 1_555 no H(7) C(5) H(12) 161.6 . 1_555 1_555 no H(8) C(5) H(9) 70.6 . 1_555 1_555 no H(8) C(5) H(10) 86.5 . 1_555 1_555 no H(8) C(5) H(11) 166.2 . 1_555 1_555 no H(8) C(5) H(12) 140.3 . 1_555 1_555 no H(9) C(5) H(10) 107.9 . 1_555 1_555 no H(9) C(5) H(11) 104.8 . 1_555 1_555 no H(9) C(5) H(12) 80.2 . 1_555 1_555 no H(10) C(5) H(11) 82.6 . 1_555 1_555 no H(10) C(5) H(12) 128.7 . 1_555 1_555 no H(11) C(5) H(12) 47.4 . 1_555 1_555 no O(2) C(6) O(3) 90.0(4) . 1_555 1_555 yes O(2) C(6) C(5) 24.7(4) . 1_555 1_555 yes O(2) C(6) C(7) 101.5(4) . 1_555 1_555 yes O(2) C(6) H(9) 47.4 . 1_555 1_555 no O(2) C(6) H(10) 45.4 . 1_555 1_555 no O(2) C(6) H(11) 127.5 . 1_555 1_555 no O(2) C(6) H(12) 109.7 . 1_555 1_555 no O(2) C(6) H(13) 90.4 . 1_555 1_555 no O(2) C(6) H(14) 122.1 . 1_555 1_555 no O(3) C(6) C(5) 112.7(7) . 1_555 1_555 yes O(3) C(6) C(7) 33.1(4) . 1_555 1_555 yes O(3) C(6) H(9) 135.8 . 1_555 1_555 no O(3) C(6) H(10) 114.0 . 1_555 1_555 no O(3) C(6) H(11) 109.1 . 1_555 1_555 no O(3) C(6) H(12) 107.9 . 1_555 1_555 no O(3) C(6) H(13) 50.8 . 1_555 1_555 no O(3) C(6) H(14) 46.6 . 1_555 1_555 no C(5) C(6) C(7) 125.8(6) . 1_555 1_555 yes C(5) C(6) H(9) 29.9 . 1_555 1_555 no C(5) C(6) H(10) 27.3 . 1_555 1_555 no C(5) C(6) H(11) 108.1 . 1_555 1_555 no C(5) C(6) H(12) 109.2 . 1_555 1_555 no C(5) C(6) H(13) 111.9 . 1_555 1_555 no C(5) C(6) H(14) 145.9 . 1_555 1_555 no C(7) C(6) H(9) 130.8 . 1_555 1_555 no C(7) C(6) H(10) 141.0 . 1_555 1_555 no C(7) C(6) H(11) 121.4 . 1_555 1_555 no C(7) C(6) H(12) 74.8 . 1_555 1_555 no C(7) C(6) H(13) 22.3 . 1_555 1_555 no C(7) C(6) H(14) 21.1 . 1_555 1_555 no H(9) C(6) H(10) 47.7 . 1_555 1_555 no H(9) C(6) H(11) 107.1 . 1_555 1_555 no H(9) C(6) H(12) 82.1 . 1_555 1_555 no H(9) C(6) H(13) 109.4 . 1_555 1_555 no H(9) C(6) H(14) 140.6 . 1_555 1_555 no H(10) C(6) H(11) 82.6 . 1_555 1_555 no H(10) C(6) H(12) 129.2 . 1_555 1_555 no H(10) C(6) H(13) 135.6 . 1_555 1_555 no H(10) C(6) H(14) 160.4 . 1_555 1_555 no H(11) C(6) H(12) 109.8 . 1_555 1_555 no H(11) C(6) H(13) 139.8 . 1_555 1_555 no H(11) C(6) H(14) 105.0 . 1_555 1_555 no H(12) C(6) H(13) 60.2 . 1_555 1_555 no H(12) C(6) H(14) 65.9 . 1_555 1_555 no H(13) C(6) H(14) 34.8 . 1_555 1_555 no O(3) C(7) O(4) 92.5(4) . 1_555 1_555 yes O(3) C(7) C(6) 33.8(4) . 1_555 1_555 yes O(3) C(7) C(8) 109.3(5) . 1_555 1_555 yes O(3) C(7) H(11) 33.3 . 1_555 1_555 no O(3) C(7) H(12) 57.5 . 1_555 1_555 no O(3) C(7) H(13) 111.7 . 1_555 1_555 no O(3) C(7) H(14) 111.4 . 1_555 1_555 no O(3) C(7) H(15) 92.8 . 1_555 1_555 no O(3) C(7) H(16) 134.9 . 1_555 1_555 no O(4) C(7) C(6) 117.0(3) . 1_555 1_555 yes O(4) C(7) C(8) 35.3(3) . 1_555 1_555 yes O(4) C(7) H(11) 124.9 . 1_555 1_555 no O(4) C(7) H(12) 131.0 . 1_555 1_555 no O(4) C(7) H(13) 86.8 . 1_555 1_555 no O(4) C(7) H(14) 143.7 . 1_555 1_555 no O(4) C(7) H(15) 52.9 . 1_555 1_555 no O(4) C(7) H(16) 52.9 . 1_555 1_555 no C(6) C(7) C(8) 142.4(5) . 1_555 1_555 yes C(6) C(7) H(11) 15.7 . 1_555 1_555 no C(6) C(7) H(12) 23.7 . 1_555 1_555 no C(6) C(7) H(13) 89.1 . 1_555 1_555 no C(6) C(7) H(14) 96.7 . 1_555 1_555 no C(6) C(7) H(15) 125.8 . 1_555 1_555 no C(6) C(7) H(16) 168.3 . 1_555 1_555 no C(8) C(7) H(11) 139.9 . 1_555 1_555 no C(8) C(7) H(12) 164.2 . 1_555 1_555 no C(8) C(7) H(13) 107.9 . 1_555 1_555 no C(8) C(7) H(14) 108.9 . 1_555 1_555 no C(8) C(7) H(15) 26.4 . 1_555 1_555 no C(8) C(7) H(16) 25.9 . 1_555 1_555 no H(11) C(7) H(12) 31.3 . 1_555 1_555 no H(11) C(7) H(13) 102.7 . 1_555 1_555 no H(11) C(7) H(14) 85.1 . 1_555 1_555 no H(11) C(7) H(15) 117.3 . 1_555 1_555 no H(11) C(7) H(16) 161.3 . 1_555 1_555 no H(12) C(7) H(13) 72.9 . 1_555 1_555 no H(12) C(7) H(14) 85.3 . 1_555 1_555 no H(12) C(7) H(15) 148.4 . 1_555 1_555 no H(12) C(7) H(16) 166.8 . 1_555 1_555 no H(13) C(7) H(14) 107.7 . 1_555 1_555 no H(13) C(7) H(15) 134.2 . 1_555 1_555 no H(13) C(7) H(16) 95.8 . 1_555 1_555 no H(14) C(7) H(15) 97.4 . 1_555 1_555 no H(14) C(7) H(16) 91.9 . 1_555 1_555 no H(15) C(7) H(16) 44.7 . 1_555 1_555 no O(3) C(8) O(4) 91.9(4) . 1_555 1_555 yes O(3) C(8) C(7) 34.2(3) . 1_555 1_555 yes O(3) C(8) C(9) 121.1(3) . 1_555 1_555 yes O(3) C(8) H(13) 53.1 . 1_555 1_555 no O(3) C(8) H(14) 52.8 . 1_555 1_555 no O(3) C(8) H(15) 88.8 . 1_555 1_555 no O(3) C(8) H(16) 145.8 . 1_555 1_555 no O(3) C(8) H(17) 140.7 . 1_555 1_555 no O(3) C(8) H(18) 120.0 . 1_555 1_555 no O(4) C(8) C(7) 107.9(5) . 1_555 1_555 yes O(4) C(8) C(9) 32.7(3) . 1_555 1_555 yes O(4) C(8) H(13) 91.7 . 1_555 1_555 no O(4) C(8) H(14) 134.5 . 1_555 1_555 no O(4) C(8) H(15) 109.7 . 1_555 1_555 no O(4) C(8) H(16) 109.9 . 1_555 1_555 no O(4) C(8) H(17) 48.8 . 1_555 1_555 no O(4) C(8) H(18) 47.3 . 1_555 1_555 no C(7) C(8) C(9) 140.4(5) . 1_555 1_555 yes C(7) C(8) H(13) 27.2 . 1_555 1_555 no C(7) C(8) H(14) 26.8 . 1_555 1_555 no C(7) C(8) H(15) 110.2 . 1_555 1_555 no C(7) C(8) H(16) 112.0 . 1_555 1_555 no C(7) C(8) H(17) 146.7 . 1_555 1_555 no C(7) C(8) H(18) 150.6 . 1_555 1_555 no C(9) C(8) H(13) 120.2 . 1_555 1_555 no C(9) C(8) H(14) 165.7 . 1_555 1_555 no C(9) C(8) H(15) 94.2 . 1_555 1_555 no C(9) C(8) H(16) 88.5 . 1_555 1_555 no C(9) C(8) H(17) 21.6 . 1_555 1_555 no C(9) C(8) H(18) 21.1 . 1_555 1_555 no H(13) C(8) H(14) 45.5 . 1_555 1_555 no H(13) C(8) H(15) 137.4 . 1_555 1_555 no H(13) C(8) H(16) 98.8 . 1_555 1_555 no H(13) C(8) H(17) 120.1 . 1_555 1_555 no H(13) C(8) H(18) 138.9 . 1_555 1_555 no H(14) C(8) H(15) 98.5 . 1_555 1_555 no H(14) C(8) H(16) 94.2 . 1_555 1_555 no H(14) C(8) H(17) 156.0 . 1_555 1_555 no H(14) C(8) H(18) 169.7 . 1_555 1_555 no H(15) C(8) H(16) 107.1 . 1_555 1_555 no H(15) C(8) H(17) 101.2 . 1_555 1_555 no H(15) C(8) H(18) 73.0 . 1_555 1_555 no H(16) C(8) H(17) 67.0 . 1_555 1_555 no H(16) C(8) H(18) 93.8 . 1_555 1_555 no H(17) C(8) H(18) 34.2 . 1_555 1_555 no Ag(1) C(9) O(4) 48.6(2) . 1_555 1_555 yes Ag(1) C(9) N(1) 51.5(1) . 1_555 1_555 yes Ag(1) C(9) C(8) 70.6(2) . 1_555 1_555 yes Ag(1) C(9) C(10) 80.1(3) . 1_555 1_555 yes Ag(1) C(9) H(15) 68.2 . 1_555 1_555 no Ag(1) C(9) H(16) 92.5 . 1_555 1_555 no Ag(1) C(9) H(17) 159.5 . 1_555 1_555 no Ag(1) C(9) H(18) 83.7 . 1_555 1_555 no Ag(1) C(9) H(19) 102.8 . 1_555 1_555 no Ag(1) C(9) H(20) 82.8 . 1_555 1_555 no Ag(1) C(9) H(22) 73.9 . 1_555 1_555 no O(4) C(9) N(1) 92.9(3) . 1_555 1_555 yes O(4) C(9) C(8) 32.7(3) . 1_555 1_555 yes O(4) C(9) C(10) 107.3(5) . 1_555 1_555 yes O(4) C(9) H(15) 46.8 . 1_555 1_555 no O(4) C(9) H(16) 49.9 . 1_555 1_555 no O(4) C(9) H(17) 110.9 . 1_555 1_555 no O(4) C(9) H(18) 110.6 . 1_555 1_555 no O(4) C(9) H(19) 133.3 . 1_555 1_555 no O(4) C(9) H(20) 90.2 . 1_555 1_555 no O(4) C(9) H(22) 122.3 . 1_555 1_555 no N(1) C(9) C(8) 121.4(3) . 1_555 1_555 yes N(1) C(9) C(10) 33.1(3) . 1_555 1_555 yes N(1) C(9) H(15) 118.5 . 1_555 1_555 no N(1) C(9) H(16) 142.4 . 1_555 1_555 no N(1) C(9) H(17) 142.9 . 1_555 1_555 no N(1) C(9) H(18) 88.5 . 1_555 1_555 no N(1) C(9) H(19) 51.5 . 1_555 1_555 no N(1) C(9) H(20) 51.6 . 1_555 1_555 no N(1) C(9) H(22) 43.8 . 1_555 1_555 no C(8) C(9) C(10) 139.9(5) . 1_555 1_555 yes C(8) C(9) H(15) 21.2 . 1_555 1_555 no C(8) C(9) H(16) 22.0 . 1_555 1_555 no C(8) C(9) H(17) 91.2 . 1_555 1_555 no C(8) C(9) H(18) 93.9 . 1_555 1_555 no C(8) C(9) H(19) 165.0 . 1_555 1_555 no C(8) C(9) H(20) 119.7 . 1_555 1_555 no C(8) C(9) H(22) 131.5 . 1_555 1_555 no C(10) C(9) H(15) 147.9 . 1_555 1_555 no C(10) C(9) H(16) 149.0 . 1_555 1_555 no C(10) C(9) H(17) 110.4 . 1_555 1_555 no C(10) C(9) H(18) 109.9 . 1_555 1_555 no C(10) C(9) H(19) 26.5 . 1_555 1_555 no C(10) C(9) H(20) 26.9 . 1_555 1_555 no C(10) C(9) H(22) 60.1 . 1_555 1_555 no H(15) C(9) H(16) 34.4 . 1_555 1_555 no H(15) C(9) H(17) 98.3 . 1_555 1_555 no H(15) C(9) H(18) 72.7 . 1_555 1_555 no H(15) C(9) H(19) 167.9 . 1_555 1_555 no H(15) C(9) H(20) 137.0 . 1_555 1_555 no H(15) C(9) H(22) 113.2 . 1_555 1_555 no H(16) C(9) H(17) 69.2 . 1_555 1_555 no H(16) C(9) H(18) 99.1 . 1_555 1_555 no H(16) C(9) H(19) 157.6 . 1_555 1_555 no H(16) C(9) H(20) 122.6 . 1_555 1_555 no H(16) C(9) H(22) 146.5 . 1_555 1_555 no H(17) C(9) H(18) 107.7 . 1_555 1_555 no H(17) C(9) H(19) 92.4 . 1_555 1_555 no H(17) C(9) H(20) 98.8 . 1_555 1_555 no H(17) C(9) H(22) 126.5 . 1_555 1_555 no H(18) C(9) H(19) 98.8 . 1_555 1_555 no H(18) C(9) H(20) 136.6 . 1_555 1_555 no H(18) C(9) H(22) 49.9 . 1_555 1_555 no H(19) C(9) H(20) 45.3 . 1_555 1_555 no H(19) C(9) H(22) 55.3 . 1_555 1_555 no H(20) C(9) H(22) 86.7 . 1_555 1_555 no O(4) C(10) N(1) 96.9(3) . 1_555 1_555 yes O(4) C(10) C(1) 112.2(3) . 1_555 1_555 yes O(4) C(10) C(2) 92.4(2) . 1_555 1_555 yes O(4) C(10) C(9) 35.5(3) . 1_555 1_555 yes O(4) C(10) C(11) 113.7(3) . 1_555 1_555 yes O(4) C(10) H(1) 132.3 . 1_555 1_555 no O(4) C(10) H(4) 85.6 . 1_555 1_555 no O(4) C(10) H(5) 68.6 . 1_555 3_666 no O(4) C(10) H(17) 53.2 . 1_555 1_555 no O(4) C(10) H(18) 53.2 . 1_555 1_555 no O(4) C(10) H(19) 143.9 . 1_555 1_555 no O(4) C(10) H(20) 85.3 . 1_555 1_555 no O(4) C(10) H(21) 134.7 . 1_555 1_555 no O(4) C(10) H(22) 104.2 . 1_555 1_555 no N(1) C(10) C(1) 34.6(3) . 1_555 1_555 yes N(1) C(10) C(2) 53.3(3) . 1_555 1_555 yes N(1) C(10) C(9) 113.3(4) . 1_555 1_555 yes N(1) C(10) C(11) 36.4(3) . 1_555 1_555 yes N(1) C(10) H(1) 52.0 . 1_555 1_555 no N(1) C(10) H(4) 71.1 . 1_555 1_555 no N(1) C(10) H(5) 128.3 . 1_555 3_666 no N(1) C(10) H(17) 139.1 . 1_555 1_555 no N(1) C(10) H(18) 96.1 . 1_555 1_555 no N(1) C(10) H(19) 108.9 . 1_555 1_555 no N(1) C(10) H(20) 108.8 . 1_555 1_555 no N(1) C(10) H(21) 48.7 . 1_555 1_555 no N(1) C(10) H(22) 54.8 . 1_555 1_555 no C(1) C(10) C(2) 28.5(2) . 1_555 1_555 yes C(1) C(10) C(9) 142.0(4) . 1_555 1_555 yes C(1) C(10) C(11) 60.1(2) . 1_555 1_555 yes C(1) C(10) H(1) 22.1 . 1_555 1_555 no C(1) C(10) H(4) 45.8 . 1_555 1_555 no C(1) C(10) H(5) 103.5 . 1_555 3_666 no C(1) C(10) H(17) 165.4 . 1_555 1_555 no C(1) C(10) H(18) 130.4 . 1_555 1_555 no C(1) C(10) H(19) 103.2 . 1_555 1_555 no C(1) C(10) H(20) 79.1 . 1_555 1_555 no C(1) C(10) H(21) 58.8 . 1_555 1_555 no C(1) C(10) H(22) 82.5 . 1_555 1_555 no C(2) C(10) C(9) 127.7(4) . 1_555 1_555 yes C(2) C(10) C(11) 86.2(2) . 1_555 1_555 yes C(2) C(10) H(1) 40.9 . 1_555 1_555 no C(2) C(10) H(4) 18.4 . 1_555 1_555 no C(2) C(10) H(5) 77.2 . 1_555 3_666 no C(2) C(10) H(17) 139.8 . 1_555 1_555 no C(2) C(10) H(18) 133.3 . 1_555 1_555 no C(2) C(10) H(19) 123.1 . 1_555 1_555 no C(2) C(10) H(20) 55.5 . 1_555 1_555 no C(2) C(10) H(21) 87.3 . 1_555 1_555 no C(2) C(10) H(22) 107.4 . 1_555 1_555 no C(9) C(10) C(11) 107.8(4) . 1_555 1_555 yes C(9) C(10) H(1) 164.0 . 1_555 1_555 no C(9) C(10) H(4) 120.3 . 1_555 1_555 no C(9) C(10) H(5) 83.7 . 1_555 3_666 no C(9) C(10) H(17) 26.2 . 1_555 1_555 no C(9) C(10) H(18) 26.4 . 1_555 1_555 no C(9) C(10) H(19) 109.2 . 1_555 1_555 no C(9) C(10) H(20) 108.0 . 1_555 1_555 no C(9) C(10) H(21) 122.9 . 1_555 1_555 no C(9) C(10) H(22) 88.3 . 1_555 1_555 no C(11) C(10) H(1) 64.8 . 1_555 1_555 no C(11) C(10) H(4) 104.6 . 1_555 1_555 no C(11) C(10) H(5) 163.4 . 1_555 3_666 no C(11) C(10) H(17) 124.0 . 1_555 1_555 no C(11) C(10) H(18) 82.1 . 1_555 1_555 no C(11) C(10) H(19) 77.9 . 1_555 1_555 no C(11) C(10) H(20) 138.8 . 1_555 1_555 no C(11) C(10) H(21) 21.0 . 1_555 1_555 no C(11) C(10) H(22) 22.6 . 1_555 1_555 no H(1) C(10) H(4) 52.8 . 1_555 1_555 no H(1) C(10) H(5) 100.9 . 1_555 3_666 no H(1) C(10) H(17) 168.9 . 1_555 1_555 no H(1) C(10) H(18) 145.8 . 1_555 1_555 no H(1) C(10) H(19) 83.8 . 1_555 1_555 no H(1) C(10) H(20) 75.3 . 1_555 1_555 no H(1) C(10) H(21) 54.6 . 1_555 1_555 no H(1) C(10) H(22) 86.6 . 1_555 1_555 no H(4) C(10) H(5) 58.9 . 1_555 3_666 no H(4) C(10) H(17) 124.7 . 1_555 1_555 no H(4) C(10) H(18) 135.8 . 1_555 1_555 no H(4) C(10) H(19) 125.9 . 1_555 1_555 no H(4) C(10) H(20) 37.9 . 1_555 1_555 no H(4) C(10) H(21) 104.1 . 1_555 1_555 no H(4) C(10) H(22) 125.7 . 1_555 1_555 no H(5) C(10) H(17) 71.3 . 3_666 1_555 no H(5) C(10) H(18) 110.1 . 3_666 1_555 no H(5) C(10) H(19) 110.2 . 3_666 1_555 no H(5) C(10) H(20) 25.7 . 3_666 1_555 no H(5) C(10) H(21) 153.1 . 3_666 1_555 no H(5) C(10) H(22) 171.9 . 3_666 1_555 no H(17) C(10) H(18) 44.8 . 1_555 1_555 no H(17) C(10) H(19) 91.4 . 1_555 1_555 no H(17) C(10) H(20) 96.9 . 1_555 1_555 no H(17) C(10) H(21) 130.8 . 1_555 1_555 no H(17) C(10) H(22) 101.6 . 1_555 1_555 no H(18) C(10) H(19) 98.2 . 1_555 1_555 no H(18) C(10) H(20) 134.1 . 1_555 1_555 no H(18) C(10) H(21) 96.6 . 1_555 1_555 no H(18) C(10) H(22) 61.9 . 1_555 1_555 no H(19) C(10) H(20) 108.5 . 1_555 1_555 no H(19) C(10) H(21) 60.7 . 1_555 1_555 no H(19) C(10) H(22) 73.1 . 1_555 1_555 no H(20) C(10) H(21) 128.9 . 1_555 1_555 no H(20) C(10) H(22) 161.4 . 1_555 1_555 no H(21) C(10) H(22) 35.0 . 1_555 1_555 no N(1) C(11) C(1) 35.5(3) . 1_555 1_555 yes N(1) C(11) C(10) 35.9(2) . 1_555 1_555 yes N(1) C(11) C(12) 113.6(4) . 1_555 1_555 yes N(1) C(11) C(13) 111.9(3) . 1_555 1_555 yes N(1) C(11) C(16) 110.2(3) . 1_555 1_555 yes N(1) C(11) H(1) 48.5 . 1_555 1_555 no N(1) C(11) H(2) 53.1 . 1_555 1_555 no N(1) C(11) H(18) 64.1 . 1_555 1_555 no N(1) C(11) H(19) 56.6 . 1_555 1_555 no N(1) C(11) H(21) 108.9 . 1_555 1_555 no N(1) C(11) H(22) 109.0 . 1_555 1_555 no N(1) C(11) H(23) 107.2 . 1_555 1_555 no N(1) C(11) H(26) 103.2 . 1_555 1_555 no C(1) C(11) C(10) 60.9(3) . 1_555 1_555 yes C(1) C(11) C(12) 99.9(4) . 1_555 1_555 yes C(1) C(11) C(13) 85.1(3) . 1_555 1_555 yes C(1) C(11) C(16) 114.3(3) . 1_555 1_555 yes C(1) C(11) H(1) 21.2 . 1_555 1_555 no C(1) C(11) H(2) 22.2 . 1_555 1_555 no C(1) C(11) H(18) 98.6 . 1_555 1_555 no C(1) C(11) H(19) 71.7 . 1_555 1_555 no C(1) C(11) H(21) 84.2 . 1_555 1_555 no C(1) C(11) H(22) 143.0 . 1_555 1_555 no C(1) C(11) H(23) 74.0 . 1_555 1_555 no C(1) C(11) H(26) 120.6 . 1_555 1_555 no C(10) C(11) C(12) 147.9(4) . 1_555 1_555 yes C(10) C(11) C(13) 145.7(3) . 1_555 1_555 yes C(10) C(11) C(16) 132.3(3) . 1_555 1_555 yes C(10) C(11) H(1) 60.1 . 1_555 1_555 no C(10) C(11) H(2) 82.8 . 1_555 1_555 no C(10) C(11) H(18) 43.6 . 1_555 1_555 no C(10) C(11) H(19) 23.0 . 1_555 1_555 no C(10) C(11) H(21) 95.3 . 1_555 1_555 no C(10) C(11) H(22) 82.9 . 1_555 1_555 no C(10) C(11) H(23) 133.0 . 1_555 1_555 no C(10) C(11) H(26) 115.1 . 1_555 1_555 no C(12) C(11) C(13) 27.1(3) . 1_555 1_555 yes C(12) C(11) C(16) 28.8(3) . 1_555 1_555 yes C(12) C(11) H(1) 111.5 . 1_555 1_555 no C(12) C(11) H(2) 78.5 . 1_555 1_555 no C(12) C(11) H(18) 126.9 . 1_555 1_555 no C(12) C(11) H(19) 170.2 . 1_555 1_555 no C(12) C(11) H(21) 108.8 . 1_555 1_555 no C(12) C(11) H(22) 108.2 . 1_555 1_555 no C(12) C(11) H(23) 48.3 . 1_555 1_555 no C(12) C(11) H(26) 50.0 . 1_555 1_555 no C(13) C(11) C(16) 55.9(2) . 1_555 1_555 yes C(13) C(11) H(1) 90.0 . 1_555 1_555 no C(13) C(11) H(2) 63.0 . 1_555 1_555 no C(13) C(11) H(18) 152.7 . 1_555 1_555 no C(13) C(11) H(19) 151.0 . 1_555 1_555 no C(13) C(11) H(21) 84.8 . 1_555 1_555 no C(13) C(11) H(22) 129.7 . 1_555 1_555 no C(13) C(11) H(23) 21.2 . 1_555 1_555 no C(13) C(11) H(26) 77.1 . 1_555 1_555 no C(16) C(11) H(1) 132.3 . 1_555 1_555 no C(16) C(11) H(2) 97.3 . 1_555 1_555 no C(16) C(11) H(18) 98.9 . 1_555 1_555 no C(16) C(11) H(19) 150.3 . 1_555 1_555 no C(16) C(11) H(21) 132.4 . 1_555 1_555 no C(16) C(11) H(22) 83.5 . 1_555 1_555 no C(16) C(11) H(23) 77.0 . 1_555 1_555 no C(16) C(11) H(26) 21.2 . 1_555 1_555 no H(1) C(11) H(2) 35.0 . 1_555 1_555 no H(1) C(11) H(18) 103.3 . 1_555 1_555 no H(1) C(11) H(19) 62.2 . 1_555 1_555 no H(1) C(11) H(21) 64.0 . 1_555 1_555 no H(1) C(11) H(22) 139.9 . 1_555 1_555 no H(1) C(11) H(23) 73.1 . 1_555 1_555 no H(1) C(11) H(26) 141.7 . 1_555 1_555 no H(2) C(11) H(18) 116.9 . 1_555 1_555 no H(2) C(11) H(19) 93.5 . 1_555 1_555 no H(2) C(11) H(21) 85.1 . 1_555 1_555 no H(2) C(11) H(22) 161.3 . 1_555 1_555 no H(2) C(11) H(23) 54.1 . 1_555 1_555 no H(2) C(11) H(26) 109.7 . 1_555 1_555 no H(18) C(11) H(19) 51.8 . 1_555 1_555 no H(18) C(11) H(21) 122.4 . 1_555 1_555 no H(18) C(11) H(22) 44.9 . 1_555 1_555 no H(18) C(11) H(23) 168.7 . 1_555 1_555 no H(18) C(11) H(26) 77.9 . 1_555 1_555 no H(19) C(11) H(21) 76.0 . 1_555 1_555 no H(19) C(11) H(22) 77.7 . 1_555 1_555 no H(19) C(11) H(23) 130.7 . 1_555 1_555 no H(19) C(11) H(26) 129.6 . 1_555 1_555 no H(21) C(11) H(22) 108.3 . 1_555 1_555 no H(21) C(11) H(23) 66.2 . 1_555 1_555 no H(21) C(11) H(26) 147.2 . 1_555 1_555 no H(22) C(11) H(23) 143.0 . 1_555 1_555 no H(22) C(11) H(26) 66.1 . 1_555 1_555 no H(23) C(11) H(26) 98.2 . 1_555 1_555 no N(1) C(12) N(2) 147.4(2) . 1_555 1_555 yes N(1) C(12) C(1) 28.8(2) . 1_555 1_555 yes N(1) C(12) C(11) 33.1(3) . 1_555 1_555 yes N(1) C(12) C(13) 118.8(4) . 1_555 1_555 yes N(1) C(12) C(14) 139.4(3) . 1_555 1_555 yes N(1) C(12) C(15) 136.8(3) . 1_555 1_555 yes N(1) C(12) C(16) 114.3(3) . 1_555 1_555 yes N(1) C(12) H(2) 45.4 . 1_555 1_555 no N(1) C(12) H(14) 147.8 . 1_555 2_655 no N(1) C(12) H(21) 51.7 . 1_555 1_555 no N(1) C(12) H(22) 51.7 . 1_555 1_555 no N(1) C(12) H(23) 98.8 . 1_555 1_555 no N(1) C(12) H(26) 93.5 . 1_555 1_555 no N(2) C(12) C(1) 130.2(2) . 1_555 1_555 yes N(2) C(12) C(11) 178.1(4) . 1_555 1_555 yes N(2) C(12) C(13) 58.2(3) . 1_555 1_555 yes N(2) C(12) C(14) 28.1(2) . 1_555 1_555 yes N(2) C(12) C(15) 28.4(2) . 1_555 1_555 yes N(2) C(12) C(16) 58.3(3) . 1_555 1_555 yes N(2) C(12) H(2) 114.0 . 1_555 1_555 no N(2) C(12) H(14) 64.8 . 1_555 2_655 no N(2) C(12) H(21) 154.5 . 1_555 1_555 no N(2) C(12) H(22) 151.4 . 1_555 1_555 no N(2) C(12) H(23) 82.7 . 1_555 1_555 no N(2) C(12) H(26) 82.5 . 1_555 1_555 no C(1) C(12) C(11) 51.3(3) . 1_555 1_555 yes C(1) C(12) C(13) 90.1(3) . 1_555 1_555 yes C(1) C(12) C(14) 112.1(2) . 1_555 1_555 yes C(1) C(12) C(15) 140.2(2) . 1_555 1_555 yes C(1) C(12) C(16) 133.2(4) . 1_555 1_555 yes C(1) C(12) H(2) 17.2 . 1_555 1_555 no C(1) C(12) H(14) 145.9 . 1_555 2_655 no C(1) C(12) H(21) 54.8 . 1_555 1_555 no C(1) C(12) H(22) 76.2 . 1_555 1_555 no C(1) C(12) H(23) 72.0 . 1_555 1_555 no C(1) C(12) H(26) 118.3 . 1_555 1_555 no C(11) C(12) C(13) 123.6(5) . 1_555 1_555 yes C(11) C(12) C(14) 153.7(4) . 1_555 1_555 yes C(11) C(12) C(15) 149.8(4) . 1_555 1_555 yes C(11) C(12) C(16) 120.0(4) . 1_555 1_555 yes C(11) C(12) H(2) 67.6 . 1_555 1_555 no C(11) C(12) H(14) 114.7 . 1_555 2_655 no C(11) C(12) H(21) 26.7 . 1_555 1_555 no C(11) C(12) H(22) 26.8 . 1_555 1_555 no C(11) C(12) H(23) 99.0 . 1_555 1_555 no C(11) C(12) H(26) 95.8 . 1_555 1_555 no C(13) C(12) C(14) 30.1(3) . 1_555 1_555 yes C(13) C(12) C(15) 86.6(3) . 1_555 1_555 yes C(13) C(12) C(16) 116.4(4) . 1_555 1_555 yes C(13) C(12) H(2) 74.5 . 1_555 1_555 no C(13) C(12) H(14) 72.8 . 1_555 2_655 no C(13) C(12) H(21) 99.6 . 1_555 1_555 no C(13) C(12) H(22) 143.8 . 1_555 1_555 no C(13) C(12) H(23) 24.6 . 1_555 1_555 no C(13) C(12) H(26) 140.6 . 1_555 1_555 no C(14) C(12) C(15) 56.5(2) . 1_555 1_555 yes C(14) C(12) C(16) 86.4(3) . 1_555 1_555 yes C(14) C(12) H(2) 94.9 . 1_555 1_555 no C(14) C(12) H(14) 66.0 . 1_555 2_655 no C(14) C(12) H(21) 128.8 . 1_555 1_555 no C(14) C(12) H(22) 165.3 . 1_555 1_555 no C(14) C(12) H(23) 54.6 . 1_555 1_555 no C(14) C(12) H(26) 110.6 . 1_555 1_555 no C(15) C(12) C(16) 29.9(2) . 1_555 1_555 yes C(15) C(12) H(2) 129.7 . 1_555 1_555 no C(15) C(12) H(14) 69.6 . 1_555 2_655 no C(15) C(12) H(21) 164.3 . 1_555 1_555 no C(15) C(12) H(22) 125.1 . 1_555 1_555 no C(15) C(12) H(23) 111.1 . 1_555 1_555 no C(15) C(12) H(26) 54.1 . 1_555 1_555 no C(16) C(12) H(2) 134.7 . 1_555 1_555 no C(16) C(12) H(14) 80.8 . 1_555 2_655 no C(16) C(12) H(21) 141.4 . 1_555 1_555 no C(16) C(12) H(22) 96.6 . 1_555 1_555 no C(16) C(12) H(23) 141.0 . 1_555 1_555 no C(16) C(12) H(26) 24.2 . 1_555 1_555 no H(2) C(12) H(14) 140.4 . 1_555 2_655 no H(2) C(12) H(21) 66.0 . 1_555 1_555 no H(2) C(12) H(22) 93.2 . 1_555 1_555 no H(2) C(12) H(23) 59.6 . 1_555 1_555 no H(2) C(12) H(26) 127.5 . 1_555 1_555 no H(14) C(12) H(21) 98.3 . 2_655 1_555 no H(14) C(12) H(22) 100.2 . 2_655 1_555 no H(14) C(12) H(23) 81.7 . 2_655 1_555 no H(14) C(12) H(26) 92.1 . 2_655 1_555 no H(21) C(12) H(22) 45.2 . 1_555 1_555 no H(21) C(12) H(23) 75.7 . 1_555 1_555 no H(21) C(12) H(26) 118.7 . 1_555 1_555 no H(22) C(12) H(23) 120.8 . 1_555 1_555 no H(22) C(12) H(26) 73.5 . 1_555 1_555 no H(23) C(12) H(26) 165.2 . 1_555 1_555 no N(2) C(13) C(11) 121.3(3) . 1_555 1_555 yes N(2) C(13) C(12) 92.0(3) . 1_555 1_555 yes N(2) C(13) C(14) 27.5(3) . 1_555 1_555 yes N(2) C(13) C(15) 29.5(1) . 1_555 1_555 yes N(2) C(13) C(16) 60.3(2) . 1_555 1_555 yes N(2) C(13) H(2) 130.9 . 1_555 1_555 no N(2) C(13) H(14) 71.2 . 1_555 2_655 no N(2) C(13) H(21) 139.1 . 1_555 1_555 no N(2) C(13) H(23) 148.4 . 1_555 1_555 no N(2) C(13) H(24) 52.5 . 1_555 1_555 no C(11) C(13) C(12) 29.3(3) . 1_555 1_555 yes C(11) C(13) C(14) 148.9(4) . 1_555 1_555 yes C(11) C(13) C(15) 91.8(2) . 1_555 1_555 yes C(11) C(13) C(16) 61.0(2) . 1_555 1_555 yes C(11) C(13) H(2) 57.3 . 1_555 1_555 no C(11) C(13) H(14) 91.1 . 1_555 2_655 no C(11) C(13) H(21) 21.2 . 1_555 1_555 no C(11) C(13) H(23) 90.2 . 1_555 1_555 no C(11) C(13) H(24) 173.8 . 1_555 1_555 no C(12) C(13) C(14) 119.5(5) . 1_555 1_555 yes C(12) C(13) C(15) 62.5(3) . 1_555 1_555 yes C(12) C(13) C(16) 31.7(3) . 1_555 1_555 yes C(12) C(13) H(2) 74.8 . 1_555 1_555 no C(12) C(13) H(14) 81.1 . 1_555 2_655 no C(12) C(13) H(21) 49.0 . 1_555 1_555 no C(12) C(13) H(23) 119.6 . 1_555 1_555 no C(12) C(13) H(24) 144.5 . 1_555 1_555 no C(14) C(13) C(15) 57.0(3) . 1_555 1_555 yes C(14) C(13) C(16) 87.9(4) . 1_555 1_555 yes C(14) C(13) H(2) 132.8 . 1_555 1_555 no C(14) C(13) H(14) 78.8 . 1_555 2_655 no C(14) C(13) H(21) 164.7 . 1_555 1_555 no C(14) C(13) H(23) 120.9 . 1_555 1_555 no C(14) C(13) H(24) 25.0 . 1_555 1_555 no C(15) C(13) C(16) 30.8(2) . 1_555 1_555 yes C(15) C(13) H(2) 117.6 . 1_555 1_555 no C(15) C(13) H(14) 67.9 . 1_555 2_655 no C(15) C(13) H(21) 110.2 . 1_555 1_555 no C(15) C(13) H(23) 177.3 . 1_555 1_555 no C(15) C(13) H(24) 82.1 . 1_555 1_555 no C(16) C(13) H(2) 96.9 . 1_555 1_555 no C(16) C(13) H(14) 72.0 . 1_555 2_655 no C(16) C(13) H(21) 80.0 . 1_555 1_555 no C(16) C(13) H(23) 151.2 . 1_555 1_555 no C(16) C(13) H(24) 112.9 . 1_555 1_555 no H(2) C(13) H(14) 147.1 . 1_555 2_655 no H(2) C(13) H(21) 58.8 . 1_555 1_555 no H(2) C(13) H(23) 65.0 . 1_555 1_555 no H(2) C(13) H(24) 125.1 . 1_555 1_555 no H(14) C(13) H(21) 88.5 . 2_655 1_555 no H(14) C(13) H(23) 110.4 . 2_655 1_555 no H(14) C(13) H(24) 87.3 . 2_655 1_555 no H(21) C(13) H(23) 71.5 . 1_555 1_555 no H(21) C(13) H(24) 164.4 . 1_555 1_555 no H(23) C(13) H(24) 95.9 . 1_555 1_555 no N(2) C(14) C(12) 93.3(3) . 1_555 1_555 yes N(2) C(14) C(13) 123.6(5) . 1_555 1_555 yes N(2) C(14) C(15) 31.3(2) . 1_555 1_555 yes N(2) C(14) C(16) 62.3(3) . 1_555 1_555 yes N(2) C(14) H(14) 82.9 . 1_555 2_655 no N(2) C(14) H(23) 147.8 . 1_555 1_555 no N(2) C(14) H(24) 118.1 . 1_555 1_555 no N(2) C(14) H(25) 22.4 . 1_555 1_555 no C(12) C(14) C(13) 30.4(3) . 1_555 1_555 yes C(12) C(14) C(15) 62.0(2) . 1_555 1_555 yes C(12) C(14) C(16) 30.9(2) . 1_555 1_555 yes C(12) C(14) H(14) 68.5 . 1_555 2_655 no C(12) C(14) H(23) 54.6 . 1_555 1_555 no C(12) C(14) H(24) 148.6 . 1_555 1_555 no C(12) C(14) H(25) 70.9 . 1_555 1_555 no C(13) C(14) C(15) 92.3(4) . 1_555 1_555 yes C(13) C(14) C(16) 61.3(3) . 1_555 1_555 yes C(13) C(14) H(14) 75.0 . 1_555 2_655 no C(13) C(14) H(23) 24.2 . 1_555 1_555 no C(13) C(14) H(24) 118.3 . 1_555 1_555 no C(13) C(14) H(25) 101.3 . 1_555 1_555 no C(15) C(14) C(16) 31.0(2) . 1_555 1_555 yes C(15) C(14) H(14) 72.2 . 1_555 2_655 no C(15) C(14) H(23) 116.5 . 1_555 1_555 no C(15) C(14) H(24) 149.4 . 1_555 1_555 no C(15) C(14) H(25) 9.0 . 1_555 1_555 no C(16) C(14) H(14) 67.4 . 1_555 2_655 no C(16) C(14) H(23) 85.5 . 1_555 1_555 no C(16) C(14) H(24) 179.5 . 1_555 1_555 no C(16) C(14) H(25) 40.0 . 1_555 1_555 no H(14) C(14) H(23) 83.2 . 2_655 1_555 no H(14) C(14) H(24) 112.8 . 2_655 1_555 no H(14) C(14) H(25) 74.2 . 2_655 1_555 no H(23) C(14) H(24) 94.1 . 1_555 1_555 no H(23) C(14) H(25) 125.4 . 1_555 1_555 no H(24) C(14) H(25) 140.4 . 1_555 1_555 no Ag(1) C(15) N(2) 41.2(2) . 3_665 1_555 yes Ag(1) C(15) C(12) 133.0(2) . 3_665 1_555 yes Ag(1) C(15) C(13) 102.5(2) . 3_665 1_555 yes Ag(1) C(15) C(14) 72.0(2) . 3_665 1_555 yes Ag(1) C(15) C(16) 161.7(4) . 3_665 1_555 yes Ag(1) C(15) H(25) 77.9 . 3_665 1_555 no Ag(1) C(15) H(26) 168.8 . 3_665 1_555 no N(2) C(15) C(12) 92.6(3) . 1_555 1_555 yes N(2) C(15) C(13) 61.7(3) . 1_555 1_555 yes N(2) C(15) C(14) 31.0(3) . 1_555 1_555 yes N(2) C(15) C(16) 122.4(5) . 1_555 1_555 yes N(2) C(15) H(25) 118.4 . 1_555 1_555 no N(2) C(15) H(26) 146.1 . 1_555 1_555 no C(12) C(15) C(13) 30.9(2) . 1_555 1_555 yes C(12) C(15) C(14) 61.5(2) . 1_555 1_555 yes C(12) C(15) C(16) 29.9(3) . 1_555 1_555 yes C(12) C(15) H(25) 149.0 . 1_555 1_555 no C(12) C(15) H(26) 53.7 . 1_555 1_555 no C(13) C(15) C(14) 30.6(2) . 1_555 1_555 yes C(13) C(15) C(16) 60.8(3) . 1_555 1_555 yes C(13) C(15) H(25) 177.5 . 1_555 1_555 no C(13) C(15) H(26) 84.6 . 1_555 1_555 no C(14) C(15) C(16) 91.4(3) . 1_555 1_555 yes C(14) C(15) H(25) 149.4 . 1_555 1_555 no C(14) C(15) H(26) 115.2 . 1_555 1_555 no C(16) C(15) H(25) 119.2 . 1_555 1_555 no C(16) C(15) H(26) 23.8 . 1_555 1_555 no H(25) C(15) H(26) 95.4 . 1_555 1_555 no N(2) C(16) C(11) 123.4(3) . 1_555 1_555 yes N(2) C(16) C(12) 92.1(3) . 1_555 1_555 yes N(2) C(16) C(13) 60.2(2) . 1_555 1_555 yes N(2) C(16) C(14) 29.4(2) . 1_555 1_555 yes N(2) C(16) C(15) 28.2(2) . 1_555 1_555 yes N(2) C(16) H(11) 120.8 . 1_555 2_655 no N(2) C(16) H(22) 140.8 . 1_555 1_555 no N(2) C(16) H(25) 52.6 . 1_555 1_555 no N(2) C(16) H(26) 148.5 . 1_555 1_555 no C(11) C(16) C(12) 31.3(3) . 1_555 1_555 yes C(11) C(16) C(13) 63.1(2) . 1_555 1_555 yes C(11) C(16) C(14) 94.0(2) . 1_555 1_555 yes C(11) C(16) C(15) 151.5(4) . 1_555 1_555 yes C(11) C(16) H(11) 75.9 . 1_555 2_655 no C(11) C(16) H(22) 21.7 . 1_555 1_555 no C(11) C(16) H(25) 175.2 . 1_555 1_555 no C(11) C(16) H(26) 88.1 . 1_555 1_555 no C(12) C(16) C(13) 31.9(3) . 1_555 1_555 yes C(12) C(16) C(14) 62.7(3) . 1_555 1_555 yes C(12) C(16) C(15) 120.2(4) . 1_555 1_555 yes C(12) C(16) H(11) 92.0 . 1_555 2_655 no C(12) C(16) H(22) 51.0 . 1_555 1_555 no C(12) C(16) H(25) 144.6 . 1_555 1_555 no C(12) C(16) H(26) 119.3 . 1_555 1_555 no C(13) C(16) C(14) 30.8(2) . 1_555 1_555 yes C(13) C(16) C(15) 88.4(3) . 1_555 1_555 yes C(13) C(16) H(11) 107.2 . 1_555 2_655 no C(13) C(16) H(22) 82.0 . 1_555 1_555 no C(13) C(16) H(25) 112.8 . 1_555 1_555 no C(13) C(16) H(26) 151.1 . 1_555 1_555 no C(14) C(16) C(15) 57.6(3) . 1_555 1_555 yes C(14) C(16) H(11) 118.4 . 1_555 2_655 no C(14) C(16) H(22) 112.3 . 1_555 1_555 no C(14) C(16) H(25) 82.0 . 1_555 1_555 no C(14) C(16) H(26) 176.6 . 1_555 1_555 no C(15) C(16) H(11) 114.2 . 1_555 2_655 no C(15) C(16) H(22) 164.2 . 1_555 1_555 no C(15) C(16) H(25) 24.4 . 1_555 1_555 no C(15) C(16) H(26) 120.4 . 1_555 1_555 no H(11) C(16) H(22) 57.8 . 2_655 1_555 no H(11) C(16) H(25) 103.8 . 2_655 1_555 no H(11) C(16) H(26) 64.7 . 2_655 1_555 no H(22) C(16) H(25) 160.1 . 1_555 1_555 no H(22) C(16) H(26) 70.2 . 1_555 1_555 no H(25) C(16) H(26) 96.1 . 1_555 1_555 no S(1) C(17) F(1) 116.2(6) . 1_555 1_555 yes S(1) C(17) F(2) 109.0(5) . 1_555 1_555 yes S(1) C(17) F(3) 114.4(5) . 1_555 1_555 yes S(1) C(17) O(5) 32.6(2) . 1_555 1_555 yes S(1) C(17) O(6) 32.8(2) . 1_555 1_555 yes S(1) C(17) O(7) 33.2(2) . 1_555 1_555 yes F(1) C(17) F(2) 102.4(8) . 1_555 1_555 yes F(1) C(17) F(3) 108.9(6) . 1_555 1_555 yes F(1) C(17) O(5) 92.6(5) . 1_555 1_555 yes F(1) C(17) O(6) 103.3(7) . 1_555 1_555 yes F(1) C(17) O(7) 148.2(6) . 1_555 1_555 yes F(2) C(17) F(3) 104.7(7) . 1_555 1_555 yes F(2) C(17) O(5) 94.6(4) . 1_555 1_555 yes F(2) C(17) O(6) 141.4(5) . 1_555 1_555 yes F(2) C(17) O(7) 87.7(5) . 1_555 1_555 yes F(3) C(17) O(5) 146.8(6) . 1_555 1_555 yes F(3) C(17) O(6) 93.7(5) . 1_555 1_555 yes F(3) C(17) O(7) 97.2(4) . 1_555 1_555 yes O(5) C(17) O(6) 56.0(2) . 1_555 1_555 yes O(5) C(17) O(7) 56.2(2) . 1_555 1_555 yes O(6) C(17) O(7) 56.0(3) . 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Ag(1) O(1) O(2) O(3) 21.8(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) O(2) C(3) 175.0(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) O(2) C(4) -146.6(8) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) O(2) C(5) -16(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) O(2) C(6) 22.9(9) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) N(1) O(4) -48.5(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) N(1) C(1) 166.3(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) N(1) C(2) -157.9(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) N(1) C(9) -57.6(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) N(1) C(10) -94.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) N(1) C(11) 91.4(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) N(1) C(12) 80.8(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(1) N(1) -11.0(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(1) C(2) -135.2(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(1) C(10) -45.3(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(1) C(11) 16.6(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(1) C(12) 44.0(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(2) N(1) 18.4(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(2) C(1) 47.2(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(2) C(3) -136.1(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(2) C(10) -6.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(3) O(2) -5.5(7) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(3) C(2) 129.0(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(3) C(4) -36.8(9) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(4) O(2) 30.5(7) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(4) C(3) 149.4(8) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(4) C(5) 23.8(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(1) N(1) -22.1(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(1) C(1) -32.4(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(1) C(2) -92.0(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(1) C(3) -175.0(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(1) C(4) 146.6(8) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(3) O(4) 44.9(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(3) C(5) -148.1(9) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(3) C(6) -160.5(7) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(3) C(7) 98.8(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) O(3) C(8) 56.2(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(3) O(1) 4.1(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(3) C(2) -22.5(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(3) C(4) 124.1(9) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(4) O(1) -27.8(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(4) C(3) -59.3(9) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(4) C(5) 136(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(5) O(3) 28.8(8) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(5) C(4) -135(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(5) C(6) 42(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(6) O(3) 16.5(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(6) C(5) -141(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(2) C(6) C(7) 47.7(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(2) O(1) -20.7(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(2) C(3) -40.2(7) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(2) C(4) 17(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(2) C(5) 148.1(9) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(2) C(6) 160.5(7) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(4) N(1) 6.8(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(4) C(7) 178.1(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(4) C(8) -144.1(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(4) C(9) -67.9(8) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) O(4) C(10) 17.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(5) O(2) -28.6(8) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(5) C(4) -20.5(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(5) C(6) 170(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(6) O(2) -20.5(7) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(6) C(5) -10(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(6) C(7) -131.9(7) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(7) O(4) -1.6(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(7) C(6) 137.4(6) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(7) C(8) -33.3(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(8) O(4) 28.0(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(8) C(7) 148.0(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(3) C(8) C(9) 12.5(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) O(3) O(2) -54.7(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) O(3) C(5) -61.2(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) O(3) C(6) -92.0(8) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) O(3) C(7) -178.1(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) O(3) C(8) 144.1(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) N(1) O(1) 51.9(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) N(1) C(1) 86.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) N(1) C(2) 78.3(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) N(1) C(9) -145.5(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) N(1) C(10) 176.7(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) N(1) C(11) -97.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) N(1) C(12) -55.1(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(7) O(3) 1.7(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(7) C(6) -22.5(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(7) C(8) 122.4(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(8) O(3) -34.8(4) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(8) C(7) -65.6(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(8) C(9) 120.1(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(9) N(1) 28.7(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(9) C(8) -123.9(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(9) C(10) 59.0(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(10) N(1) -2.7(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(10) C(1) 29.5(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(10) C(2) 50.6(2) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(10) C(9) -123.8(5) 1_555 1_555 1_555 1_555 yes Ag(1) O(4) C(10) C(11) -36.3(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(1) O(2) 25.8(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(1) C(1) -166.3(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(1) C(2) 157.9(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(1) C(3) 87(1) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(1) C(4) 16.6(5) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(4) O(3) -7.5(2) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(4) C(7) -15.8(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(4) C(8) 65.9(9) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(4) C(9) 145.5(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) O(4) C(10) -176.7(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(1) O(1) 11.9(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(1) C(2) 42.3(6) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(1) C(10) 115.4(5) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(1) C(11) -126.1(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(1) C(12) -94.3(2) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(2) O(1) -18.4(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(2) C(1) -139.9(6) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(2) C(3) -1.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(2) C(10) 104.8(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(9) O(4) -27.4(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(9) C(8) -10.4(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(9) C(10) -145.2(6) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(10) O(4) 2.7(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(10) C(1) -116.9(5) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(10) C(2) -85.1(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(10) C(9) 35.4(6) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(10) C(11) 124.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(11) C(1) 121.7(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(11) C(10) -117.8(5) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(11) C(12) 48.7(5) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(11) C(13) 78.1(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(11) C(16) 17.9(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(12) N(2) 39.4(5) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(12) C(1) 108.5(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(12) C(11) -137.3(5) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(12) C(13) 114.5(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(12) C(14) 85.6(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(12) C(15) -4.6(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(12) C(16) -29.1(4) 1_555 1_555 1_555 1_555 yes Ag(1) N(2) C(14) C(13) -170.7(4) 1_555 3_665 3_665 3_665 yes Ag(1) N(2) C(15) C(16) 169.1(4) 1_555 3_665 3_665 3_665 yes Ag(1) C(9) O(4) O(3) 59.9(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) O(4) N(1) -28.7(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) O(4) C(7) 130.8(8) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) O(4) C(8) 123.9(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) O(4) C(10) -59.0(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) N(1) O(1) 46.0(2) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) N(1) O(4) 27.4(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) N(1) C(1) 103.7(6) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) N(1) C(2) 76.5(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) N(1) C(10) 145.2(6) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) N(1) C(11) -113.6(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) N(1) C(12) -84.1(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) C(8) O(3) -11.5(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) C(8) O(4) -41.3(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) C(8) C(7) -49.7(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) C(10) O(4) 40.7(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) C(10) N(1) -27.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) C(10) C(1) -1.7(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) C(10) C(2) 33.7(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(9) C(10) C(11) -65.5(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(15) N(2) C(14) -171.4(6) 1_555 3_665 3_665 3_665 yes Ag(1) C(15) C(16) C(12) 26(1) 1_555 3_665 3_665 3_665 yes S(1) F(1) F(2) F(3) -75.6(2) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(2) O(5) 30.9(1) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(2) O(7) -9.4(2) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(2) C(17) -36.4(5) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(3) F(1) -144.9(3) 1_555 1_555 1_555 3_656 yes S(1) F(1) F(3) F(2) 75.0(2) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(3) O(6) -29.6(1) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(3) O(7) 15.3(2) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(3) C(17) 30.6(8) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(3) C(17) 67.6(7) 1_555 1_555 3_656 3_656 yes S(1) F(1) O(5) F(2) -73.7(3) 1_555 1_555 1_555 1_555 yes S(1) F(1) O(5) O(6) 34.3(2) 1_555 1_555 1_555 1_555 yes S(1) F(1) O(5) O(7) -24.2(2) 1_555 1_555 1_555 1_555 yes S(1) F(1) O(5) C(17) -30.1(6) 1_555 1_555 1_555 1_555 yes S(1) F(1) O(6) F(3) 86.9(4) 1_555 1_555 1_555 1_555 yes S(1) F(1) O(6) O(5) -37.4(2) 1_555 1_555 1_555 1_555 yes S(1) F(1) O(6) O(7) 23.0(2) 1_555 1_555 1_555 1_555 yes S(1) F(1) O(6) C(17) 46.6(5) 1_555 1_555 1_555 1_555 yes S(1) F(1) C(17) F(2) 118.7(8) 1_555 1_555 1_555 1_555 yes S(1) F(1) C(17) F(3) -130(1) 1_555 1_555 1_555 1_555 yes S(1) F(1) C(17) O(5) 23.4(4) 1_555 1_555 1_555 1_555 yes S(1) F(1) C(17) O(6) -32.2(4) 1_555 1_555 1_555 1_555 yes S(1) F(1) C(17) O(7) 12.6(8) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(1) F(3) 75.6(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(1) F(3) 148.1(5) 1_555 1_555 1_555 3_656 yes S(1) F(2) F(1) O(5) -30.9(1) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(1) O(6) 13.4(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(1) C(17) 36.4(5) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(3) F(1) -75.8(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(3) F(1) -125.1(3) 1_555 1_555 1_555 3_656 yes S(1) F(2) F(3) O(6) -7.7(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(3) O(7) 31.3(1) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(3) C(17) -36.8(6) 1_555 1_555 1_555 1_555 yes S(1) F(2) O(5) F(1) 83.4(3) 1_555 1_555 1_555 1_555 yes S(1) F(2) O(5) O(6) 20.1(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) O(5) O(7) -37.2(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) O(5) C(17) 43.5(5) 1_555 1_555 1_555 1_555 yes S(1) F(2) O(7) F(3) -73.2(3) 1_555 1_555 1_555 1_555 yes S(1) F(2) O(7) O(5) 35.2(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) O(7) O(6) -22.7(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) O(7) C(17) -35.0(4) 1_555 1_555 1_555 1_555 yes S(1) F(2) C(17) F(1) -123.6(7) 1_555 1_555 1_555 1_555 yes S(1) F(2) C(17) F(3) 122.8(8) 1_555 1_555 1_555 1_555 yes S(1) F(2) C(17) O(5) -29.9(3) 1_555 1_555 1_555 1_555 yes S(1) F(2) C(17) O(6) 7.1(5) 1_555 1_555 1_555 1_555 yes S(1) F(2) C(17) O(7) 25.9(3) 1_555 1_555 1_555 1_555 yes S(1) F(3) F(1) F(2) -75.0(2) 1_555 1_555 1_555 1_555 yes S(1) F(3) F(1) F(3) 144.9(3) 1_555 1_555 1_555 3_656 yes S(1) F(3) F(1) O(5) -8.0(2) 1_555 1_555 1_555 1_555 yes S(1) F(3) F(1) O(6) 29.6(1) 1_555 1_555 1_555 1_555 yes S(1) F(3) F(1) C(17) -30.6(8) 1_555 1_555 1_555 1_555 yes S(1) F(3) F(1) C(17) -48(1) 1_555 1_555 3_656 3_656 yes S(1) F(3) F(2) F(1) 75.8(2) 1_555 1_555 1_555 1_555 yes S(1) F(3) F(2) O(5) 13.9(1) 1_555 1_555 1_555 1_555 yes S(1) F(3) F(2) O(7) -31.3(1) 1_555 1_555 1_555 1_555 yes S(1) F(3) F(2) C(17) 36.8(6) 1_555 1_555 1_555 1_555 yes S(1) F(3) O(6) F(1) -70.1(4) 1_555 1_555 1_555 1_555 yes S(1) F(3) O(6) O(5) -22.5(2) 1_555 1_555 1_555 1_555 yes S(1) F(3) O(6) O(7) 36.0(2) 1_555 1_555 1_555 1_555 yes S(1) F(3) O(6) C(17) -35.4(5) 1_555 1_555 1_555 1_555 yes S(1) F(3) O(7) F(2) 84.8(3) 1_555 1_555 1_555 1_555 yes S(1) F(3) O(7) O(5) 21.6(2) 1_555 1_555 1_555 1_555 yes S(1) F(3) O(7) O(6) -36.4(3) 1_555 1_555 1_555 1_555 yes S(1) F(3) O(7) C(17) 40.8(5) 1_555 1_555 1_555 1_555 yes S(1) F(3) C(17) F(1) 131(1) 1_555 1_555 1_555 1_555 yes S(1) F(3) C(17) F(2) -119.3(9) 1_555 1_555 1_555 1_555 yes S(1) F(3) C(17) O(5) 4.2(6) 1_555 1_555 1_555 1_555 yes S(1) F(3) C(17) O(6) 26.4(4) 1_555 1_555 1_555 1_555 yes S(1) F(3) C(17) O(7) -29.7(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) F(1) F(2) 73.7(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) F(1) F(3) 15.0(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) F(1) F(3) -105.0(6) 1_555 1_555 1_555 3_656 yes S(1) O(5) F(1) O(6) -34.3(2) 1_555 1_555 1_555 1_555 yes S(1) O(5) F(1) C(17) 30.1(6) 1_555 1_555 1_555 1_555 yes S(1) O(5) F(2) F(1) -83.4(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) F(2) F(3) -27.7(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) F(2) O(7) 37.2(2) 1_555 1_555 1_555 1_555 yes S(1) O(5) F(2) C(17) -43.5(5) 1_555 1_555 1_555 1_555 yes S(1) O(5) O(6) F(1) 72.2(4) 1_555 1_555 1_555 1_555 yes S(1) O(5) O(6) F(3) 39.6(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) O(6) O(7) -25.6(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) O(6) C(17) 46.1(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) O(7) F(2) -77.1(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) O(7) F(3) -36.8(2) 1_555 1_555 1_555 1_555 yes S(1) O(5) O(7) O(6) 25.3(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) O(7) C(17) -46.0(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) C(17) F(1) -138.5(8) 1_555 1_555 1_555 1_555 yes S(1) O(5) C(17) F(2) 118.8(6) 1_555 1_555 1_555 1_555 yes S(1) O(5) C(17) F(3) -7.1(10) 1_555 1_555 1_555 1_555 yes S(1) O(5) C(17) O(6) -34.2(3) 1_555 1_555 1_555 1_555 yes S(1) O(5) C(17) O(7) 34.7(3) 1_555 1_555 1_555 1_555 yes S(1) O(6) F(1) F(2) -27.9(4) 1_555 1_555 1_555 1_555 yes S(1) O(6) F(1) F(3) -86.9(4) 1_555 1_555 1_555 1_555 yes S(1) O(6) F(1) F(3) -175.9(3) 1_555 1_555 1_555 3_656 yes S(1) O(6) F(1) O(5) 37.4(2) 1_555 1_555 1_555 1_555 yes S(1) O(6) F(1) C(17) -46.6(5) 1_555 1_555 1_555 1_555 yes S(1) O(6) F(3) F(1) 70.1(4) 1_555 1_555 1_555 1_555 yes S(1) O(6) F(3) F(1) 142.4(3) 1_555 1_555 1_555 3_656 yes S(1) O(6) F(3) F(2) 14.7(4) 1_555 1_555 1_555 1_555 yes S(1) O(6) F(3) O(7) -36.0(2) 1_555 1_555 1_555 1_555 yes S(1) O(6) F(3) C(17) 35.4(5) 1_555 1_555 1_555 1_555 yes S(1) O(6) O(5) F(1) -72.2(4) 1_555 1_555 1_555 1_555 yes S(1) O(6) O(5) F(2) -34.1(4) 1_555 1_555 1_555 1_555 yes S(1) O(6) O(5) O(7) 25.6(3) 1_555 1_555 1_555 1_555 yes S(1) O(6) O(5) C(17) -46.1(3) 1_555 1_555 1_555 1_555 yes S(1) O(6) O(7) F(2) 41.0(3) 1_555 1_555 1_555 1_555 yes S(1) O(6) O(7) F(3) 76.6(3) 1_555 1_555 1_555 1_555 yes S(1) O(6) O(7) O(5) -25.5(2) 1_555 1_555 1_555 1_555 yes S(1) O(6) O(7) C(17) 47.8(3) 1_555 1_555 1_555 1_555 yes S(1) O(6) C(17) F(1) 118.0(6) 1_555 1_555 1_555 1_555 yes S(1) O(6) C(17) F(2) -12.4(9) 1_555 1_555 1_555 1_555 yes S(1) O(6) C(17) F(3) -131.6(6) 1_555 1_555 1_555 1_555 yes S(1) O(6) C(17) O(5) 34.0(3) 1_555 1_555 1_555 1_555 yes S(1) O(6) C(17) O(7) -35.3(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) Ag(1) O(4) 47.7(6) 1_555 1_555 4_455 4_455 yes S(1) O(7) Ag(1) N(1) -22.8(6) 1_555 1_555 4_455 4_455 yes S(1) O(7) F(2) F(1) 17.5(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) F(2) F(3) 73.2(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) F(2) O(5) -35.2(2) 1_555 1_555 1_555 1_555 yes S(1) O(7) F(2) C(17) 35.0(4) 1_555 1_555 1_555 1_555 yes S(1) O(7) F(3) F(1) -30.5(4) 1_555 1_555 1_555 1_555 yes S(1) O(7) F(3) F(1) 32.4(7) 1_555 1_555 1_555 3_656 yes S(1) O(7) F(3) F(2) -84.8(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) F(3) O(6) 36.4(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) F(3) C(17) -40.8(5) 1_555 1_555 1_555 1_555 yes S(1) O(7) O(5) F(1) 43.2(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) O(5) F(2) 77.1(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) O(5) O(6) -25.3(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) O(5) C(17) 46.0(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) O(6) F(1) -37.5(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) O(6) F(3) -76.6(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) O(6) O(5) 25.5(2) 1_555 1_555 1_555 1_555 yes S(1) O(7) O(6) C(17) -47.8(3) 1_555 1_555 1_555 1_555 yes S(1) O(7) C(17) F(1) -21(1) 1_555 1_555 1_555 1_555 yes S(1) O(7) C(17) F(2) -131.1(6) 1_555 1_555 1_555 1_555 yes S(1) O(7) C(17) F(3) 124.4(7) 1_555 1_555 1_555 1_555 yes S(1) O(7) C(17) O(5) -34.0(2) 1_555 1_555 1_555 1_555 yes S(1) O(7) C(17) O(6) 34.9(3) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(1) F(2) -118.7(8) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(1) F(3) 130(1) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(1) F(3) 124.5(6) 1_555 1_555 1_555 3_656 yes S(1) C(17) F(1) O(5) -23.4(4) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(1) O(6) 32.2(4) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(2) F(1) 123.6(7) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(2) F(3) -122.8(8) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(2) O(5) 29.9(3) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(2) O(7) -25.9(3) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(3) F(1) -131(1) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(3) F(1) -127.1(4) 1_555 1_555 1_555 3_656 yes S(1) C(17) F(3) F(2) 119.3(9) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(3) O(6) -26.4(4) 1_555 1_555 1_555 1_555 yes S(1) C(17) F(3) O(7) 29.7(3) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(5) F(1) 138.5(8) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(5) F(2) -118.8(6) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(5) O(6) 34.2(3) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(5) O(7) -34.7(3) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(6) F(1) -118.0(6) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(6) F(3) 131.6(6) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(6) O(5) -34.0(3) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(6) O(7) 35.3(3) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(7) F(2) 131.1(6) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(7) F(3) -124.4(7) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(7) O(5) 34.0(2) 1_555 1_555 1_555 1_555 yes S(1) C(17) O(7) O(6) -34.9(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(2) F(3) 65.4(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(2) O(5) -84.2(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(2) O(7) 161.0(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(2) C(17) 32.4(5) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(3) F(2) -64.5(4) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(3) O(6) 99.3(5) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(3) O(7) -146.3(4) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(3) C(17) -27.5(7) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(5) F(2) 46.0(2) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(5) O(6) -93.7(4) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(5) O(7) 130.2(4) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(5) C(17) 18.4(4) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(6) F(3) -46.1(2) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(6) O(5) 89.0(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(6) O(7) -134.6(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(6) C(17) -24.2(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(7) F(2) -17.2(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(7) F(3) 30.5(3) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(7) O(5) -106.6(4) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(7) O(6) 117.0(4) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(7) C(17) 6.5(4) 1_555 1_555 1_555 1_555 yes F(1) S(1) C(17) F(2) -115.0(9) 1_555 1_555 1_555 1_555 yes F(1) S(1) C(17) F(3) 128(1) 1_555 1_555 1_555 1_555 yes F(1) S(1) C(17) O(5) -47.5(8) 1_555 1_555 1_555 1_555 yes F(1) S(1) C(17) O(6) 73.2(8) 1_555 1_555 1_555 1_555 yes F(1) S(1) C(17) O(7) -167.8(7) 1_555 1_555 1_555 1_555 yes F(1) F(2) S(1) F(3) -65.4(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) S(1) O(5) 84.2(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) S(1) O(6) -43.3(6) 1_555 1_555 1_555 1_555 yes F(1) F(2) S(1) O(7) -161.0(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) S(1) C(17) -32.4(5) 1_555 1_555 1_555 1_555 yes F(1) F(2) F(3) O(6) 68.2(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) F(3) O(7) 107.2(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) F(3) C(17) 39.0(6) 1_555 1_555 1_555 1_555 yes F(1) F(2) O(5) O(6) -63.3(4) 1_555 1_555 1_555 1_555 yes F(1) F(2) O(5) O(7) -120.6(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) O(5) C(17) -39.9(5) 1_555 1_555 1_555 1_555 yes F(1) F(2) O(7) F(3) -55.7(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) O(7) O(5) 52.6(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) O(7) O(6) -5.2(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) O(7) C(17) -17.5(4) 1_555 1_555 1_555 1_555 yes F(1) F(2) C(17) F(3) -113.6(7) 1_555 1_555 1_555 1_555 yes F(1) F(2) C(17) O(5) 93.7(5) 1_555 1_555 1_555 1_555 yes F(1) F(2) C(17) O(6) 130(1) 1_555 1_555 1_555 1_555 yes F(1) F(2) C(17) O(7) 149.6(6) 1_555 1_555 1_555 1_555 yes F(1) F(3) S(1) F(2) 64.5(4) 1_555 1_555 1_555 1_555 yes F(1) F(3) S(1) O(5) 21.9(4) 1_555 1_555 1_555 1_555 yes F(1) F(3) S(1) O(6) -99.3(5) 1_555 1_555 1_555 1_555 yes F(1) F(3) S(1) O(7) 146.3(4) 1_555 1_555 1_555 1_555 yes F(1) F(3) S(1) C(17) 27.5(7) 1_555 1_555 1_555 1_555 yes F(1) F(3) F(1) C(17) -3.8(8) 1_555 1_555 3_656 3_656 yes F(1) F(3) F(2) O(5) -61.9(3) 1_555 1_555 1_555 1_555 yes F(1) F(3) F(2) O(7) -107.2(3) 1_555 1_555 1_555 1_555 yes F(1) F(3) F(2) C(17) -39.0(6) 1_555 1_555 1_555 1_555 yes F(1) F(3) O(6) O(5) 47.6(3) 1_555 1_555 1_555 1_555 yes F(1) F(3) O(6) O(7) 106.2(3) 1_555 1_555 1_555 1_555 yes F(1) F(3) O(6) C(17) 34.7(5) 1_555 1_555 1_555 1_555 yes F(1) F(3) O(7) F(2) 54.3(3) 1_555 1_555 1_555 1_555 yes F(1) F(3) O(7) O(5) -8.8(3) 1_555 1_555 1_555 1_555 yes F(1) F(3) O(7) O(6) -66.9(4) 1_555 1_555 1_555 1_555 yes F(1) F(3) O(7) C(17) 10.3(6) 1_555 1_555 1_555 1_555 yes F(1) F(3) C(17) F(2) 108.9(10) 1_555 1_555 1_555 1_555 yes F(1) F(3) C(17) O(5) -127(1) 1_555 1_555 1_555 1_555 yes F(1) F(3) C(17) O(6) -105.4(9) 1_555 1_555 1_555 1_555 yes F(1) F(3) C(17) O(7) -161.6(10) 1_555 1_555 1_555 1_555 yes F(1) F(3) C(17) F(2) -113.7(6) 1_555 3_656 3_656 3_656 yes F(1) O(5) S(1) F(2) -46.0(2) 1_555 1_555 1_555 1_555 yes F(1) O(5) S(1) F(3) -15.8(3) 1_555 1_555 1_555 1_555 yes F(1) O(5) S(1) O(6) 93.7(4) 1_555 1_555 1_555 1_555 yes F(1) O(5) S(1) O(7) -130.2(4) 1_555 1_555 1_555 1_555 yes F(1) O(5) S(1) C(17) -18.4(4) 1_555 1_555 1_555 1_555 yes F(1) O(5) F(2) F(3) 55.7(3) 1_555 1_555 1_555 1_555 yes F(1) O(5) F(2) O(7) 120.6(3) 1_555 1_555 1_555 1_555 yes F(1) O(5) F(2) C(17) 39.9(5) 1_555 1_555 1_555 1_555 yes F(1) O(5) O(6) F(3) -32.6(2) 1_555 1_555 1_555 1_555 yes F(1) O(5) O(6) O(7) -97.8(2) 1_555 1_555 1_555 1_555 yes F(1) O(5) O(6) C(17) -26.1(3) 1_555 1_555 1_555 1_555 yes F(1) O(5) O(7) F(2) -34.0(2) 1_555 1_555 1_555 1_555 yes F(1) O(5) O(7) F(3) 6.3(2) 1_555 1_555 1_555 1_555 yes F(1) O(5) O(7) O(6) 68.4(3) 1_555 1_555 1_555 1_555 yes F(1) O(5) O(7) C(17) -2.9(3) 1_555 1_555 1_555 1_555 yes F(1) O(5) C(17) F(2) -102.6(8) 1_555 1_555 1_555 1_555 yes F(1) O(5) C(17) F(3) 131(1) 1_555 1_555 1_555 1_555 yes F(1) O(5) C(17) O(6) 104.3(7) 1_555 1_555 1_555 1_555 yes F(1) O(5) C(17) O(7) 173.2(7) 1_555 1_555 1_555 1_555 yes F(1) O(6) S(1) F(2) 29.8(4) 1_555 1_555 1_555 1_555 yes F(1) O(6) S(1) F(3) 46.1(2) 1_555 1_555 1_555 1_555 yes F(1) O(6) S(1) O(5) -89.0(3) 1_555 1_555 1_555 1_555 yes F(1) O(6) S(1) O(7) 134.6(3) 1_555 1_555 1_555 1_555 yes F(1) O(6) S(1) C(17) 24.2(3) 1_555 1_555 1_555 1_555 yes F(1) O(6) F(3) F(2) -55.5(3) 1_555 1_555 1_555 1_555 yes F(1) O(6) F(3) O(7) -106.2(3) 1_555 1_555 1_555 1_555 yes F(1) O(6) F(3) C(17) -34.7(5) 1_555 1_555 1_555 1_555 yes F(1) O(6) O(5) F(2) 38.1(2) 1_555 1_555 1_555 1_555 yes F(1) O(6) O(5) O(7) 97.8(2) 1_555 1_555 1_555 1_555 yes F(1) O(6) O(5) C(17) 26.1(3) 1_555 1_555 1_555 1_555 yes F(1) O(6) O(7) F(2) 3.5(2) 1_555 1_555 1_555 1_555 yes F(1) O(6) O(7) F(3) 39.1(2) 1_555 1_555 1_555 1_555 yes F(1) O(6) O(7) O(5) -63.0(2) 1_555 1_555 1_555 1_555 yes F(1) O(6) O(7) C(17) 10.3(2) 1_555 1_555 1_555 1_555 yes F(1) O(6) C(17) F(2) -130(1) 1_555 1_555 1_555 1_555 yes F(1) O(6) C(17) F(3) 110.4(7) 1_555 1_555 1_555 1_555 yes F(1) O(6) C(17) O(5) -84.1(5) 1_555 1_555 1_555 1_555 yes F(1) O(6) C(17) O(7) -153.4(6) 1_555 1_555 1_555 1_555 yes F(1) C(17) S(1) F(2) 115.0(9) 1_555 1_555 1_555 1_555 yes F(1) C(17) S(1) F(3) -128(1) 1_555 1_555 1_555 1_555 yes F(1) C(17) S(1) O(5) 47.5(8) 1_555 1_555 1_555 1_555 yes F(1) C(17) S(1) O(6) -73.2(8) 1_555 1_555 1_555 1_555 yes F(1) C(17) S(1) O(7) 167.8(7) 1_555 1_555 1_555 1_555 yes F(1) C(17) F(2) F(3) 113.6(7) 1_555 1_555 1_555 1_555 yes F(1) C(17) F(2) O(5) -93.7(5) 1_555 1_555 1_555 1_555 yes F(1) C(17) F(2) O(7) -149.6(6) 1_555 1_555 1_555 1_555 yes F(1) C(17) F(3) F(2) -108.9(10) 1_555 1_555 1_555 1_555 yes F(1) C(17) F(3) O(6) 105.4(9) 1_555 1_555 1_555 1_555 yes F(1) C(17) F(3) O(7) 161.6(10) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(5) F(2) 102.6(8) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(5) O(6) -104.3(7) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(5) O(7) -173.2(7) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(6) F(3) -110.4(7) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(6) O(5) 84.1(5) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(6) O(7) 153.4(6) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(7) F(2) 110(1) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(7) F(3) -145(1) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(7) O(5) 12(1) 1_555 1_555 1_555 1_555 yes F(1) C(17) O(7) O(6) -55(1) 1_555 1_555 1_555 1_555 yes F(2) S(1) F(1) F(3) -68.3(3) 1_555 1_555 1_555 1_555 yes F(2) S(1) F(1) F(3) -143.3(5) 1_555 1_555 1_555 3_656 yes F(2) S(1) F(1) O(5) 95.5(3) 1_555 1_555 1_555 1_555 yes F(2) S(1) F(1) O(6) -149.5(4) 1_555 1_555 1_555 1_555 yes F(2) S(1) F(1) C(17) -39.0(7) 1_555 1_555 1_555 1_555 yes F(2) S(1) F(3) O(6) 163.8(5) 1_555 1_555 1_555 1_555 yes F(2) S(1) F(3) O(7) -81.7(4) 1_555 1_555 1_555 1_555 yes F(2) S(1) F(3) C(17) 37.0(7) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(5) O(6) -139.7(4) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(5) O(7) 84.2(3) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(5) C(17) -27.6(3) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(6) F(3) -16.3(4) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(6) O(5) 118.8(6) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(6) O(7) -104.9(5) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(6) C(17) 5.6(4) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(7) F(3) 47.8(2) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(7) O(5) -89.4(3) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(7) O(6) 134.2(3) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(7) C(17) 23.7(3) 1_555 1_555 1_555 1_555 yes F(2) S(1) C(17) F(3) -116.8(10) 1_555 1_555 1_555 1_555 yes F(2) S(1) C(17) O(5) 67.5(6) 1_555 1_555 1_555 1_555 yes F(2) S(1) C(17) O(6) -171.8(6) 1_555 1_555 1_555 1_555 yes F(2) S(1) C(17) O(7) -52.8(6) 1_555 1_555 1_555 1_555 yes F(2) F(1) S(1) F(3) 68.3(3) 1_555 1_555 1_555 1_555 yes F(2) F(1) S(1) O(5) -95.5(3) 1_555 1_555 1_555 1_555 yes F(2) F(1) S(1) O(6) 149.5(4) 1_555 1_555 1_555 1_555 yes F(2) F(1) S(1) O(7) 24.0(4) 1_555 1_555 1_555 1_555 yes F(2) F(1) S(1) C(17) 39.0(7) 1_555 1_555 1_555 1_555 yes F(2) F(1) F(3) O(6) -104.6(3) 1_555 1_555 1_555 1_555 yes F(2) F(1) F(3) O(7) -59.7(3) 1_555 1_555 1_555 1_555 yes F(2) F(1) F(3) C(17) -44.4(8) 1_555 1_555 1_555 1_555 yes F(2) F(1) F(3) C(17) -56.3(8) 1_555 1_555 3_656 3_656 yes F(2) F(1) O(5) O(6) 108.0(4) 1_555 1_555 1_555 1_555 yes F(2) F(1) O(5) O(7) 49.5(3) 1_555 1_555 1_555 1_555 yes F(2) F(1) O(5) C(17) 43.5(6) 1_555 1_555 1_555 1_555 yes F(2) F(1) O(6) F(3) 59.0(3) 1_555 1_555 1_555 1_555 yes F(2) F(1) O(6) O(5) -65.3(3) 1_555 1_555 1_555 1_555 yes F(2) F(1) O(6) O(7) -4.8(3) 1_555 1_555 1_555 1_555 yes F(2) F(1) O(6) C(17) 18.7(5) 1_555 1_555 1_555 1_555 yes F(2) F(1) C(17) F(3) 110.4(9) 1_555 1_555 1_555 1_555 yes F(2) F(1) C(17) O(5) -95.3(5) 1_555 1_555 1_555 1_555 yes F(2) F(1) C(17) O(6) -150.9(6) 1_555 1_555 1_555 1_555 yes F(2) F(1) C(17) O(7) -106(1) 1_555 1_555 1_555 1_555 yes F(2) F(3) S(1) O(5) -42.6(4) 1_555 1_555 1_555 1_555 yes F(2) F(3) S(1) O(6) -163.8(5) 1_555 1_555 1_555 1_555 yes F(2) F(3) S(1) O(7) 81.7(4) 1_555 1_555 1_555 1_555 yes F(2) F(3) S(1) C(17) -37.0(7) 1_555 1_555 1_555 1_555 yes F(2) F(3) F(1) F(3) -140.1(4) 1_555 1_555 1_555 3_656 yes F(2) F(3) F(1) O(5) 67.1(3) 1_555 1_555 1_555 1_555 yes F(2) F(3) F(1) O(6) 104.6(3) 1_555 1_555 1_555 1_555 yes F(2) F(3) F(1) C(17) 44.4(8) 1_555 1_555 1_555 1_555 yes F(2) F(3) F(1) C(17) 37(1) 1_555 1_555 3_656 3_656 yes F(2) F(3) O(6) O(5) -7.9(4) 1_555 1_555 1_555 1_555 yes F(2) F(3) O(6) O(7) 50.7(3) 1_555 1_555 1_555 1_555 yes F(2) F(3) O(6) C(17) -20.8(5) 1_555 1_555 1_555 1_555 yes F(2) F(3) O(7) O(5) -63.2(3) 1_555 1_555 1_555 1_555 yes F(2) F(3) O(7) O(6) -121.2(4) 1_555 1_555 1_555 1_555 yes F(2) F(3) O(7) C(17) -44.0(5) 1_555 1_555 1_555 1_555 yes F(2) F(3) C(17) O(5) 123(1) 1_555 1_555 1_555 1_555 yes F(2) F(3) C(17) O(6) 145.7(7) 1_555 1_555 1_555 1_555 yes F(2) F(3) C(17) O(7) 89.5(6) 1_555 1_555 1_555 1_555 yes F(2) O(5) S(1) F(3) 30.2(3) 1_555 1_555 1_555 1_555 yes F(2) O(5) S(1) O(6) 139.7(4) 1_555 1_555 1_555 1_555 yes F(2) O(5) S(1) O(7) -84.2(3) 1_555 1_555 1_555 1_555 yes F(2) O(5) S(1) C(17) 27.6(3) 1_555 1_555 1_555 1_555 yes F(2) O(5) F(1) F(3) -58.7(3) 1_555 1_555 1_555 1_555 yes F(2) O(5) F(1) F(3) -178.7(7) 1_555 1_555 1_555 3_656 yes F(2) O(5) F(1) O(6) -108.0(4) 1_555 1_555 1_555 1_555 yes F(2) O(5) F(1) C(17) -43.5(6) 1_555 1_555 1_555 1_555 yes F(2) O(5) O(6) F(3) 5.6(3) 1_555 1_555 1_555 1_555 yes F(2) O(5) O(6) O(7) -59.7(2) 1_555 1_555 1_555 1_555 yes F(2) O(5) O(6) C(17) 12.0(3) 1_555 1_555 1_555 1_555 yes F(2) O(5) O(7) F(3) 40.3(2) 1_555 1_555 1_555 1_555 yes F(2) O(5) O(7) O(6) 102.4(3) 1_555 1_555 1_555 1_555 yes F(2) O(5) O(7) C(17) 31.1(2) 1_555 1_555 1_555 1_555 yes F(2) O(5) C(17) F(3) -125(1) 1_555 1_555 1_555 1_555 yes F(2) O(5) C(17) O(6) -153.0(6) 1_555 1_555 1_555 1_555 yes F(2) O(5) C(17) O(7) -84.1(5) 1_555 1_555 1_555 1_555 yes F(2) O(7) Ag(1) O(4) -165.4(4) 1_555 1_555 4_455 4_455 yes F(2) O(7) Ag(1) N(1) 124.1(4) 1_555 1_555 4_455 4_455 yes F(2) O(7) S(1) F(3) -47.8(2) 1_555 1_555 1_555 1_555 yes F(2) O(7) S(1) O(5) 89.4(3) 1_555 1_555 1_555 1_555 yes F(2) O(7) S(1) O(6) -134.2(3) 1_555 1_555 1_555 1_555 yes F(2) O(7) S(1) C(17) -23.7(3) 1_555 1_555 1_555 1_555 yes F(2) O(7) F(3) O(6) 121.2(4) 1_555 1_555 1_555 1_555 yes F(2) O(7) F(3) C(17) 44.0(5) 1_555 1_555 1_555 1_555 yes F(2) O(7) O(5) O(6) -102.4(3) 1_555 1_555 1_555 1_555 yes F(2) O(7) O(5) C(17) -31.1(2) 1_555 1_555 1_555 1_555 yes F(2) O(7) O(6) F(3) -35.6(2) 1_555 1_555 1_555 1_555 yes F(2) O(7) O(6) O(5) 66.5(2) 1_555 1_555 1_555 1_555 yes F(2) O(7) O(6) C(17) -6.8(2) 1_555 1_555 1_555 1_555 yes F(2) O(7) C(17) F(3) -104.5(7) 1_555 1_555 1_555 1_555 yes F(2) O(7) C(17) O(5) 97.1(5) 1_555 1_555 1_555 1_555 yes F(2) O(7) C(17) O(6) 165.9(5) 1_555 1_555 1_555 1_555 yes F(2) C(17) S(1) F(3) 116.8(10) 1_555 1_555 1_555 1_555 yes F(2) C(17) S(1) O(5) -67.5(6) 1_555 1_555 1_555 1_555 yes F(2) C(17) S(1) O(6) 171.8(6) 1_555 1_555 1_555 1_555 yes F(2) C(17) S(1) O(7) 52.8(6) 1_555 1_555 1_555 1_555 yes F(2) C(17) F(1) F(3) -110.4(9) 1_555 1_555 1_555 1_555 yes F(2) C(17) F(1) F(3) -116.7(8) 1_555 1_555 1_555 3_656 yes F(2) C(17) F(1) O(5) 95.3(5) 1_555 1_555 1_555 1_555 yes F(2) C(17) F(1) O(6) 150.9(6) 1_555 1_555 1_555 1_555 yes F(2) C(17) F(3) O(6) -145.7(7) 1_555 1_555 1_555 1_555 yes F(2) C(17) F(3) O(7) -89.5(6) 1_555 1_555 1_555 1_555 yes F(2) C(17) O(5) O(6) 153.0(6) 1_555 1_555 1_555 1_555 yes F(2) C(17) O(5) O(7) 84.1(5) 1_555 1_555 1_555 1_555 yes F(2) C(17) O(6) F(3) 119(1) 1_555 1_555 1_555 1_555 yes F(2) C(17) O(6) O(5) -46.4(9) 1_555 1_555 1_555 1_555 yes F(2) C(17) O(6) O(7) 22.9(9) 1_555 1_555 1_555 1_555 yes F(2) C(17) O(7) F(3) 104.5(7) 1_555 1_555 1_555 1_555 yes F(2) C(17) O(7) O(5) -97.1(5) 1_555 1_555 1_555 1_555 yes F(2) C(17) O(7) O(6) -165.9(5) 1_555 1_555 1_555 1_555 yes F(3) S(1) F(1) O(5) 163.8(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) F(1) O(6) -81.2(4) 1_555 1_555 1_555 1_555 yes F(3) S(1) F(1) C(17) 29.3(7) 1_555 1_555 1_555 1_555 yes F(3) S(1) F(2) O(5) -149.6(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) F(2) O(7) 95.6(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) F(2) C(17) -33.0(5) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(5) O(6) -109.5(5) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(5) O(7) 114.4(4) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(5) C(17) 2.6(4) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(6) O(5) 135.1(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(6) O(7) -88.6(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(6) C(17) 21.9(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(7) O(5) -137.1(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(7) O(6) 86.4(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) O(7) C(17) -24.0(3) 1_555 1_555 1_555 1_555 yes F(3) S(1) C(17) O(5) -175.7(6) 1_555 1_555 1_555 1_555 yes F(3) S(1) C(17) O(6) -55.0(7) 1_555 1_555 1_555 1_555 yes F(3) S(1) C(17) O(7) 63.9(7) 1_555 1_555 1_555 1_555 yes F(3) F(1) S(1) O(5) -163.8(3) 1_555 1_555 1_555 1_555 yes F(3) F(1) S(1) O(6) 81.2(4) 1_555 1_555 1_555 1_555 yes F(3) F(1) S(1) O(7) -44.3(5) 1_555 1_555 1_555 1_555 yes F(3) F(1) S(1) C(17) -29.3(7) 1_555 1_555 1_555 1_555 yes F(3) F(1) F(2) O(5) 106.4(2) 1_555 1_555 1_555 1_555 yes F(3) F(1) F(2) O(7) 66.2(2) 1_555 1_555 1_555 1_555 yes F(3) F(1) F(2) C(17) 39.2(5) 1_555 1_555 1_555 1_555 yes F(3) F(1) F(3) C(17) 2.7(6) 1_555 1_555 3_656 3_656 yes F(3) F(1) O(5) O(6) 49.4(4) 1_555 1_555 1_555 1_555 yes F(3) F(1) O(5) O(7) -9.2(4) 1_555 1_555 1_555 1_555 yes F(3) F(1) O(5) C(17) -15.1(5) 1_555 1_555 1_555 1_555 yes F(3) F(1) O(6) O(5) -124.3(3) 1_555 1_555 1_555 1_555 yes F(3) F(1) O(6) O(7) -63.8(3) 1_555 1_555 1_555 1_555 yes F(3) F(1) O(6) C(17) -40.3(5) 1_555 1_555 1_555 1_555 yes F(3) F(1) C(17) O(5) 154.3(8) 1_555 1_555 1_555 1_555 yes F(3) F(1) C(17) O(6) 98.7(8) 1_555 1_555 1_555 1_555 yes F(3) F(1) C(17) O(7) 143(1) 1_555 1_555 1_555 1_555 yes F(3) F(2) S(1) O(5) 149.6(3) 1_555 1_555 1_555 1_555 yes F(3) F(2) S(1) O(6) 22.1(6) 1_555 1_555 1_555 1_555 yes F(3) F(2) S(1) O(7) -95.6(3) 1_555 1_555 1_555 1_555 yes F(3) F(2) S(1) C(17) 33.0(5) 1_555 1_555 1_555 1_555 yes F(3) F(2) F(1) O(5) -106.4(2) 1_555 1_555 1_555 1_555 yes F(3) F(2) F(1) O(6) -62.2(2) 1_555 1_555 1_555 1_555 yes F(3) F(2) F(1) C(17) -39.2(5) 1_555 1_555 1_555 1_555 yes F(3) F(2) O(5) O(6) -7.6(3) 1_555 1_555 1_555 1_555 yes F(3) F(2) O(5) O(7) -64.9(3) 1_555 1_555 1_555 1_555 yes F(3) F(2) O(5) C(17) 15.8(4) 1_555 1_555 1_555 1_555 yes F(3) F(2) O(7) O(5) 108.4(3) 1_555 1_555 1_555 1_555 yes F(3) F(2) O(7) O(6) 50.5(3) 1_555 1_555 1_555 1_555 yes F(3) F(2) O(7) C(17) 38.2(4) 1_555 1_555 1_555 1_555 yes F(3) F(2) C(17) O(5) -152.7(7) 1_555 1_555 1_555 1_555 yes F(3) F(2) C(17) O(6) -115(1) 1_555 1_555 1_555 1_555 yes F(3) F(2) C(17) O(7) -96.9(5) 1_555 1_555 1_555 1_555 yes F(3) O(6) S(1) O(5) -135.1(3) 1_555 1_555 1_555 1_555 yes F(3) O(6) S(1) O(7) 88.6(3) 1_555 1_555 1_555 1_555 yes F(3) O(6) S(1) C(17) -21.9(3) 1_555 1_555 1_555 1_555 yes F(3) O(6) F(1) O(5) 124.3(3) 1_555 1_555 1_555 1_555 yes F(3) O(6) F(1) C(17) 40.3(5) 1_555 1_555 1_555 1_555 yes F(3) O(6) O(5) O(7) 65.2(2) 1_555 1_555 1_555 1_555 yes F(3) O(6) O(5) C(17) -6.4(2) 1_555 1_555 1_555 1_555 yes F(3) O(6) O(7) O(5) -102.1(2) 1_555 1_555 1_555 1_555 yes F(3) O(6) O(7) C(17) -28.8(2) 1_555 1_555 1_555 1_555 yes F(3) O(6) C(17) O(5) 165.5(5) 1_555 1_555 1_555 1_555 yes F(3) O(6) C(17) O(7) 96.3(5) 1_555 1_555 1_555 1_555 yes F(3) O(7) Ag(1) O(4) 140.0(3) 1_555 1_555 4_455 4_455 yes F(3) O(7) Ag(1) N(1) 69.4(3) 1_555 1_555 4_455 4_455 yes F(3) O(7) S(1) O(5) 137.1(3) 1_555 1_555 1_555 1_555 yes F(3) O(7) S(1) O(6) -86.4(3) 1_555 1_555 1_555 1_555 yes F(3) O(7) S(1) C(17) 24.0(3) 1_555 1_555 1_555 1_555 yes F(3) O(7) F(2) O(5) -108.4(3) 1_555 1_555 1_555 1_555 yes F(3) O(7) F(2) C(17) -38.2(4) 1_555 1_555 1_555 1_555 yes F(3) O(7) O(5) O(6) -62.1(2) 1_555 1_555 1_555 1_555 yes F(3) O(7) O(5) C(17) 9.2(3) 1_555 1_555 1_555 1_555 yes F(3) O(7) O(6) O(5) 102.1(2) 1_555 1_555 1_555 1_555 yes F(3) O(7) O(6) C(17) 28.8(2) 1_555 1_555 1_555 1_555 yes F(3) O(7) C(17) O(5) -158.4(6) 1_555 1_555 1_555 1_555 yes F(3) O(7) C(17) O(6) -89.6(6) 1_555 1_555 1_555 1_555 yes F(3) C(17) S(1) O(5) 175.7(6) 1_555 1_555 1_555 1_555 yes F(3) C(17) S(1) O(6) 55.0(7) 1_555 1_555 1_555 1_555 yes F(3) C(17) S(1) O(7) -63.9(7) 1_555 1_555 1_555 1_555 yes F(3) C(17) F(1) O(5) -154.3(8) 1_555 1_555 1_555 1_555 yes F(3) C(17) F(1) O(6) -98.7(8) 1_555 1_555 1_555 1_555 yes F(3) C(17) F(2) O(5) 152.7(7) 1_555 1_555 1_555 1_555 yes F(3) C(17) F(2) O(7) 96.9(5) 1_555 1_555 1_555 1_555 yes F(3) C(17) O(5) O(6) 27(1) 1_555 1_555 1_555 1_555 yes F(3) C(17) O(5) O(7) -41(1) 1_555 1_555 1_555 1_555 yes F(3) C(17) O(6) O(5) -165.5(5) 1_555 1_555 1_555 1_555 yes F(3) C(17) O(6) O(7) -96.3(5) 1_555 1_555 1_555 1_555 yes F(3) C(17) O(7) O(5) 158.4(6) 1_555 1_555 1_555 1_555 yes F(3) C(17) O(7) O(6) 89.6(6) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(2) O(3) -155.6(4) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(2) C(3) -2.6(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(2) C(4) 29.4(7) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(2) C(5) 175(1) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(2) C(6) -165.6(6) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(3) O(2) 22.2(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(3) O(4) -93.8(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(3) C(5) 35.7(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(3) C(6) 41.5(7) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(3) C(7) -92.1(4) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(3) C(8) -111.6(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(4) O(3) 107.7(1) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(4) N(1) -64.9(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(4) C(7) 106.8(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(4) C(8) 139.9(4) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(4) C(9) -94.7(4) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) O(4) C(10) -63.3(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) O(4) 110.3(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(1) -11.4(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(2) 10.3(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(9) 126.7(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(10) 107.6(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(11) -133.5(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(12) -109.2(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(2) C(14) -156.7(4) 1_555 1_555 3_665 3_665 yes O(1) Ag(1) N(2) C(15) 32.7(4) 1_555 1_555 3_665 3_665 yes O(1) Ag(1) C(9) O(4) 91.3(4) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) C(9) N(1) -50.9(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) C(9) C(8) 119.6(2) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) C(9) C(10) -32.5(4) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) C(15) N(2) -146.3(4) 1_555 1_555 3_665 3_665 yes O(1) Ag(1) C(15) C(16) -176(1) 1_555 1_555 3_665 3_665 yes O(1) O(2) Ag(1) O(3) 155.6(4) 1_555 1_555 1_555 1_555 yes O(1) O(2) Ag(1) O(4) 101.4(2) 1_555 1_555 1_555 1_555 yes O(1) O(2) Ag(1) O(7) -173.4(2) 1_555 1_555 1_555 4_554 yes O(1) O(2) Ag(1) N(1) 29.0(3) 1_555 1_555 1_555 1_555 yes O(1) O(2) Ag(1) N(2) -98.3(2) 1_555 1_555 1_555 3_665 yes O(1) O(2) Ag(1) C(9) 88.5(2) 1_555 1_555 1_555 1_555 yes O(1) O(2) Ag(1) C(15) -75.2(2) 1_555 1_555 1_555 3_665 yes O(1) O(2) O(3) O(4) 24.2(4) 1_555 1_555 1_555 1_555 yes O(1) O(2) O(3) C(5) -168(1) 1_555 1_555 1_555 1_555 yes O(1) O(2) O(3) C(6) 178.7(8) 1_555 1_555 1_555 1_555 yes O(1) O(2) O(3) C(7) 78.1(6) 1_555 1_555 1_555 1_555 yes O(1) O(2) O(3) C(8) 35.4(6) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(3) C(2) -26.6(3) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(3) C(4) 120.0(9) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(4) C(3) -31.5(5) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(4) C(5) 164(1) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(5) O(3) 42(3) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(5) C(4) -121(4) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(5) C(6) 56(4) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(6) O(3) -1(1) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(6) C(5) -159(1) 1_555 1_555 1_555 1_555 yes O(1) O(2) C(6) C(7) 29(1) 1_555 1_555 1_555 1_555 yes O(1) N(1) Ag(1) O(2) -26.0(3) 1_555 1_555 1_555 1_555 yes O(1) N(1) Ag(1) O(3) -100.8(2) 1_555 1_555 1_555 1_555 yes O(1) N(1) Ag(1) O(4) -110.3(2) 1_555 1_555 1_555 1_555 yes O(1) N(1) Ag(1) O(7) 171.0(1) 1_555 1_555 1_555 4_554 yes O(1) N(1) Ag(1) N(2) 84.1(2) 1_555 1_555 1_555 3_665 yes O(1) N(1) Ag(1) C(9) -126.7(2) 1_555 1_555 1_555 1_555 yes O(1) N(1) Ag(1) C(15) 69.8(1) 1_555 1_555 1_555 3_665 yes O(1) N(1) O(4) O(3) 44.3(2) 1_555 1_555 1_555 1_555 yes O(1) N(1) O(4) C(7) 36.1(5) 1_555 1_555 1_555 1_555 yes O(1) N(1) O(4) C(8) 117.8(9) 1_555 1_555 1_555 1_555 yes O(1) N(1) O(4) C(9) -162.6(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) O(4) C(10) -124.9(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(1) C(2) 30.4(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(1) C(10) 103.5(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(1) C(11) -138.1(3) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(1) C(12) -106.2(3) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(2) C(1) -121.5(7) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(2) C(3) 17.4(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(2) C(10) 123.2(5) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(9) O(4) 18.7(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(9) C(8) 35.6(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(9) C(10) -99.1(5) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(10) O(4) 62.4(3) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(10) C(1) -57.2(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(10) C(2) -25.4(2) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(10) C(9) 95.2(5) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(10) C(11) -176.3(5) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(11) C(1) 54.2(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(11) C(10) 174.8(7) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(11) C(12) -18.8(8) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(11) C(13) 10.6(6) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(11) C(16) -49.6(6) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(12) N(2) -16.1(5) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(12) C(1) 53.0(3) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(12) C(11) 167.3(5) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(12) C(13) 59.0(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(12) C(14) 30.2(5) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(12) C(15) -60.0(4) 1_555 1_555 1_555 1_555 yes O(1) N(1) C(12) C(16) -84.6(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) O(4) -44.5(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) C(2) -30.4(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) C(9) -80.3(6) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) C(10) -103.5(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) C(11) 138.1(3) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) C(12) 106.2(3) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(2) N(1) 64.5(7) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(2) C(3) -3.2(6) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(2) C(10) 97.9(5) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(10) O(4) 14.4(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(10) N(1) 83.1(5) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(10) C(2) -34.5(3) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(10) C(9) 39.4(8) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(10) C(11) 119.9(3) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(11) N(1) -51.7(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(11) C(10) -87.0(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(11) C(12) 65.5(5) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(11) C(13) 88.3(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(11) C(16) 39.3(5) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(12) N(1) -86.7(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(12) N(2) 52.1(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(12) C(11) -126.4(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(12) C(13) 98.5(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(12) C(14) 77.4(3) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(12) C(15) 13.8(5) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(12) C(16) -29.2(5) 1_555 1_555 1_555 1_555 yes O(1) C(2) N(1) O(4) -70.0(4) 1_555 1_555 1_555 1_555 yes O(1) C(2) N(1) C(1) 121.5(7) 1_555 1_555 1_555 1_555 yes O(1) C(2) N(1) C(9) -91.7(4) 1_555 1_555 1_555 1_555 yes O(1) C(2) N(1) C(10) -123.2(5) 1_555 1_555 1_555 1_555 yes O(1) C(2) N(1) C(11) 104.0(6) 1_555 1_555 1_555 1_555 yes O(1) C(2) N(1) C(12) 69.8(4) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(1) N(1) -64.5(7) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(1) C(10) -97.9(5) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(1) C(11) -51(1) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(1) C(12) -1.2(10) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(3) O(2) 52.8(7) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(3) C(4) 22(1) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(10) O(4) -35.3(4) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(10) N(1) 61.5(5) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(10) C(1) 100.4(5) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(10) C(9) -31.2(6) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(10) C(11) 78.3(4) 1_555 1_555 1_555 1_555 yes O(1) C(3) O(2) O(3) 37.6(10) 1_555 1_555 1_555 1_555 yes O(1) C(3) O(2) C(4) -120.0(9) 1_555 1_555 1_555 1_555 yes O(1) C(3) O(2) C(5) -169(4) 1_555 1_555 1_555 1_555 yes O(1) C(3) O(2) C(6) 74(1) 1_555 1_555 1_555 1_555 yes O(1) C(3) C(2) N(1) -31.5(6) 1_555 1_555 1_555 1_555 yes O(1) C(3) C(2) C(1) 5.3(9) 1_555 1_555 1_555 1_555 yes O(1) C(3) C(2) C(10) -66.0(6) 1_555 1_555 1_555 1_555 yes O(1) C(3) C(4) O(2) 66.6(10) 1_555 1_555 1_555 1_555 yes O(1) C(3) C(4) C(5) 74.9(10) 1_555 1_555 1_555 1_555 yes O(1) C(4) O(2) O(3) -43(3) 1_555 1_555 1_555 1_555 yes O(1) C(4) O(2) C(3) 31.5(5) 1_555 1_555 1_555 1_555 yes O(1) C(4) O(2) C(5) -164(1) 1_555 1_555 1_555 1_555 yes O(1) C(4) O(2) C(6) -160(2) 1_555 1_555 1_555 1_555 yes O(1) C(4) C(3) O(2) -66.6(10) 1_555 1_555 1_555 1_555 yes O(1) C(4) C(3) C(2) -13.0(6) 1_555 1_555 1_555 1_555 yes O(1) C(4) C(5) O(2) 17(1) 1_555 1_555 1_555 1_555 yes O(1) C(4) C(5) O(3) -1.3(8) 1_555 1_555 1_555 1_555 yes O(1) C(4) C(5) C(6) 12(1) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(1) N(1) 154.7(3) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(1) C(1) 161.5(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(1) C(2) 135.1(5) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(1) C(3) 4.9(6) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(1) C(4) -15.6(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(3) O(4) -115.9(3) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(3) C(5) 13.5(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(3) C(6) 19.3(7) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(3) C(7) -114.3(5) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(3) C(8) -133.8(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(4) O(3) 48.8(2) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(4) N(1) -123.8(2) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(4) C(7) 47.9(3) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(4) C(8) 81.0(5) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(4) C(9) -153.6(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) O(4) C(10) -122.2(2) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) N(1) O(4) 84.3(3) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) N(1) C(1) -37.4(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) N(1) C(2) -15.7(3) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) N(1) C(9) 100.7(3) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) N(1) C(10) 81.6(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) N(1) C(11) -159.5(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) N(1) C(12) -135.2(3) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) N(2) C(14) -98.7(4) 1_555 1_555 3_665 3_665 yes O(2) Ag(1) N(2) C(15) 90.7(4) 1_555 1_555 3_665 3_665 yes O(2) Ag(1) C(9) O(4) 30.1(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) C(9) N(1) -112.1(2) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) C(9) C(8) 58.5(3) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) C(9) C(10) -93.6(4) 1_555 1_555 1_555 1_555 yes O(2) Ag(1) C(15) N(2) -88.1(4) 1_555 1_555 3_665 3_665 yes O(2) Ag(1) C(15) C(16) -118(1) 1_555 1_555 3_665 3_665 yes O(2) O(1) Ag(1) O(3) -21.6(3) 1_555 1_555 1_555 1_555 yes O(2) O(1) Ag(1) O(4) -88.3(3) 1_555 1_555 1_555 1_555 yes O(2) O(1) Ag(1) O(7) 154.4(8) 1_555 1_555 1_555 4_554 yes O(2) O(1) Ag(1) N(1) -154.7(3) 1_555 1_555 1_555 1_555 yes O(2) O(1) Ag(1) N(2) 83.0(3) 1_555 1_555 1_555 3_665 yes O(2) O(1) Ag(1) C(9) -115.2(3) 1_555 1_555 1_555 1_555 yes O(2) O(1) Ag(1) C(15) 95.6(3) 1_555 1_555 1_555 3_665 yes O(2) O(1) N(1) O(4) -22.7(4) 1_555 1_555 1_555 1_555 yes O(2) O(1) N(1) C(1) -167.8(5) 1_555 1_555 1_555 1_555 yes O(2) O(1) N(1) C(2) -132.1(5) 1_555 1_555 1_555 1_555 yes O(2) O(1) N(1) C(9) -31.7(4) 1_555 1_555 1_555 1_555 yes O(2) O(1) N(1) C(10) -68.1(5) 1_555 1_555 1_555 1_555 yes O(2) O(1) N(1) C(11) 117.3(6) 1_555 1_555 1_555 1_555 yes O(2) O(1) N(1) C(12) 106.6(4) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(1) N(1) 19.0(7) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(1) C(2) -105.2(8) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(1) C(10) -15.4(7) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(1) C(11) 46.5(7) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(1) C(12) 74.0(6) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(2) N(1) 93.9(5) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(2) C(1) 122.7(5) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(2) C(3) -60.6(6) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(2) C(10) 69.6(6) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(3) C(2) 134.4(6) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(3) C(4) -31.3(6) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(4) C(3) 118(1) 1_555 1_555 1_555 1_555 yes O(2) O(1) C(4) C(5) -6.8(7) 1_555 1_555 1_555 1_555 yes O(2) O(3) Ag(1) O(4) 115.9(3) 1_555 1_555 1_555 1_555 yes O(2) O(3) Ag(1) O(7) -157.0(3) 1_555 1_555 1_555 4_554 yes O(2) O(3) Ag(1) N(1) 105.8(4) 1_555 1_555 1_555 1_555 yes O(2) O(3) Ag(1) N(2) -78.4(3) 1_555 1_555 1_555 3_665 yes O(2) O(3) Ag(1) C(9) 125.6(3) 1_555 1_555 1_555 1_555 yes O(2) O(3) Ag(1) C(15) -63.6(3) 1_555 1_555 1_555 3_665 yes O(2) O(3) O(4) N(1) -47.9(3) 1_555 1_555 1_555 1_555 yes O(2) O(3) O(4) C(7) 123.4(5) 1_555 1_555 1_555 1_555 yes O(2) O(3) O(4) C(8) 161.2(5) 1_555 1_555 1_555 1_555 yes O(2) O(3) O(4) C(9) -122.6(9) 1_555 1_555 1_555 1_555 yes O(2) O(3) O(4) C(10) -37.8(5) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(5) C(4) 8.1(7) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(5) C(6) -160(1) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(6) C(5) 9.9(7) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(6) C(7) -111.4(6) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(7) O(4) -73.0(4) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(7) C(6) 65.9(5) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(7) C(8) -104.8(5) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(8) O(4) -22.3(5) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(8) C(7) 97.6(6) 1_555 1_555 1_555 1_555 yes O(2) O(3) C(8) C(9) -37.9(6) 1_555 1_555 1_555 1_555 yes O(2) C(3) O(1) N(1) -75(1) 1_555 1_555 1_555 1_555 yes O(2) C(3) O(1) C(1) -138.2(8) 1_555 1_555 1_555 1_555 yes O(2) C(3) O(1) C(2) -134.4(6) 1_555 1_555 1_555 1_555 yes O(2) C(3) O(1) C(4) 31.3(6) 1_555 1_555 1_555 1_555 yes O(2) C(3) C(2) N(1) 21.3(8) 1_555 1_555 1_555 1_555 yes O(2) C(3) C(2) C(1) 58(1) 1_555 1_555 1_555 1_555 yes O(2) C(3) C(2) C(10) -13.2(8) 1_555 1_555 1_555 1_555 yes O(2) C(3) C(4) C(5) 8.2(6) 1_555 1_555 1_555 1_555 yes O(2) C(4) O(1) N(1) 17.4(10) 1_555 1_555 1_555 1_555 yes O(2) C(4) O(1) C(1) 5(3) 1_555 1_555 1_555 1_555 yes O(2) C(4) O(1) C(2) -95.4(10) 1_555 1_555 1_555 1_555 yes O(2) C(4) O(1) C(3) -118(1) 1_555 1_555 1_555 1_555 yes O(2) C(4) C(3) C(2) 53(1) 1_555 1_555 1_555 1_555 yes O(2) C(4) C(5) O(3) -18(1) 1_555 1_555 1_555 1_555 yes O(2) C(4) C(5) C(6) -4(1) 1_555 1_555 1_555 1_555 yes O(2) C(5) O(3) O(4) 14.8(10) 1_555 1_555 1_555 1_555 yes O(2) C(5) O(3) C(6) 160(1) 1_555 1_555 1_555 1_555 yes O(2) C(5) O(3) C(7) 83.6(10) 1_555 1_555 1_555 1_555 yes O(2) C(5) O(3) C(8) 37(1) 1_555 1_555 1_555 1_555 yes O(2) C(5) C(4) C(3) -20(1) 1_555 1_555 1_555 1_555 yes O(2) C(5) C(6) O(3) -24(1) 1_555 1_555 1_555 1_555 yes O(2) C(5) C(6) C(7) 10(1) 1_555 1_555 1_555 1_555 yes O(2) C(6) O(3) O(4) 45.2(10) 1_555 1_555 1_555 1_555 yes O(2) C(6) O(3) C(5) -9.9(7) 1_555 1_555 1_555 1_555 yes O(2) C(6) O(3) C(7) 111.4(6) 1_555 1_555 1_555 1_555 yes O(2) C(6) O(3) C(8) 100.6(9) 1_555 1_555 1_555 1_555 yes O(2) C(6) C(5) O(3) 24(1) 1_555 1_555 1_555 1_555 yes O(2) C(6) C(5) C(4) 2(1) 1_555 1_555 1_555 1_555 yes O(2) C(6) C(7) O(3) -71.8(6) 1_555 1_555 1_555 1_555 yes O(2) C(6) C(7) O(4) -24.4(6) 1_555 1_555 1_555 1_555 yes O(2) C(6) C(7) C(8) -57.3(10) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(1) N(1) 133.1(1) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(1) C(1) 139.9(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(1) C(2) 113.4(4) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(1) C(3) -16.8(6) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(1) C(4) -37.2(3) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(2) C(3) 153.0(6) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(2) C(4) -174.9(10) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(2) C(5) -29.0(8) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(2) C(6) -10.0(3) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(4) N(1) -172.7(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(4) C(7) -0.9(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(4) C(8) 32.2(4) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(4) C(9) 157.5(4) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) O(4) C(10) -171.0(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) N(1) O(4) 9.5(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) N(1) C(1) -112.2(3) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) N(1) C(2) -90.5(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) N(1) C(9) 26.0(3) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) N(1) C(10) 6.8(4) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) N(1) C(11) 125.7(3) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) N(1) C(12) 150.1(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) N(2) C(14) -43.8(4) 1_555 1_555 3_665 3_665 yes O(3) Ag(1) N(2) C(15) 145.6(3) 1_555 1_555 3_665 3_665 yes O(3) Ag(1) C(9) O(4) -20.1(3) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) C(9) N(1) -162.3(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) C(9) C(8) 8.3(2) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) C(9) C(10) -143.9(3) 1_555 1_555 1_555 1_555 yes O(3) Ag(1) C(15) N(2) -39.7(4) 1_555 1_555 3_665 3_665 yes O(3) Ag(1) C(15) C(16) -70(1) 1_555 1_555 3_665 3_665 yes O(3) O(2) Ag(1) O(4) -54.3(2) 1_555 1_555 1_555 1_555 yes O(3) O(2) Ag(1) O(7) 30.9(4) 1_555 1_555 1_555 4_554 yes O(3) O(2) Ag(1) N(1) -126.7(2) 1_555 1_555 1_555 1_555 yes O(3) O(2) Ag(1) N(2) 106.0(2) 1_555 1_555 1_555 3_665 yes O(3) O(2) Ag(1) C(9) -67.1(3) 1_555 1_555 1_555 1_555 yes O(3) O(2) Ag(1) C(15) 129.2(2) 1_555 1_555 1_555 3_665 yes O(3) O(2) O(1) N(1) -0.3(6) 1_555 1_555 1_555 1_555 yes O(3) O(2) O(1) C(1) -10.6(9) 1_555 1_555 1_555 1_555 yes O(3) O(2) O(1) C(2) -70.2(7) 1_555 1_555 1_555 1_555 yes O(3) O(2) O(1) C(3) -153.2(8) 1_555 1_555 1_555 1_555 yes O(3) O(2) O(1) C(4) 168(1) 1_555 1_555 1_555 1_555 yes O(3) O(2) C(3) C(2) 10(1) 1_555 1_555 1_555 1_555 yes O(3) O(2) C(3) C(4) 157(1) 1_555 1_555 1_555 1_555 yes O(3) O(2) C(4) C(3) -75(3) 1_555 1_555 1_555 1_555 yes O(3) O(2) C(4) C(5) 120(4) 1_555 1_555 1_555 1_555 yes O(3) O(2) C(5) C(4) -163(1) 1_555 1_555 1_555 1_555 yes O(3) O(2) C(5) C(6) 13.4(9) 1_555 1_555 1_555 1_555 yes O(3) O(2) C(6) C(5) -157(1) 1_555 1_555 1_555 1_555 yes O(3) O(2) C(6) C(7) 31.2(3) 1_555 1_555 1_555 1_555 yes O(3) O(4) Ag(1) O(7) -82.5(2) 1_555 1_555 1_555 4_554 yes O(3) O(4) Ag(1) N(1) 172.7(2) 1_555 1_555 1_555 1_555 yes O(3) O(4) Ag(1) N(2) -46.0(4) 1_555 1_555 1_555 3_665 yes O(3) O(4) Ag(1) C(9) -157.5(4) 1_555 1_555 1_555 1_555 yes O(3) O(4) Ag(1) C(15) 174(1) 1_555 1_555 1_555 3_665 yes O(3) O(4) N(1) C(1) 78.5(4) 1_555 1_555 1_555 1_555 yes O(3) O(4) N(1) C(2) 70.8(3) 1_555 1_555 1_555 1_555 yes O(3) O(4) N(1) C(9) -153.0(4) 1_555 1_555 1_555 1_555 yes O(3) O(4) N(1) C(10) 169.2(4) 1_555 1_555 1_555 1_555 yes O(3) O(4) N(1) C(11) -104.5(4) 1_555 1_555 1_555 1_555 yes O(3) O(4) N(1) C(12) -62.6(3) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(7) C(6) -24.2(4) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(7) C(8) 120.7(6) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(8) C(7) -30.8(3) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(8) C(9) 154.8(4) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(9) N(1) 88.5(8) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(9) C(8) -64.0(8) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(9) C(10) 118.9(8) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(10) N(1) -18.0(6) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(10) C(1) 14.2(6) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(10) C(2) 35.3(5) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(10) C(9) -139.1(6) 1_555 1_555 1_555 1_555 yes O(3) O(4) C(10) C(11) -51.6(6) 1_555 1_555 1_555 1_555 yes O(3) C(5) O(2) C(3) -158(3) 1_555 1_555 1_555 1_555 yes O(3) C(5) O(2) C(4) 163(1) 1_555 1_555 1_555 1_555 yes O(3) C(5) O(2) C(6) -13.4(9) 1_555 1_555 1_555 1_555 yes O(3) C(5) C(4) C(3) -38(1) 1_555 1_555 1_555 1_555 yes O(3) C(5) C(6) C(7) 35.1(4) 1_555 1_555 1_555 1_555 yes O(3) C(6) O(2) C(3) -53(1) 1_555 1_555 1_555 1_555 yes O(3) C(6) O(2) C(4) 151(2) 1_555 1_555 1_555 1_555 yes O(3) C(6) O(2) C(5) 157(1) 1_555 1_555 1_555 1_555 yes O(3) C(6) C(5) C(4) -21(2) 1_555 1_555 1_555 1_555 yes O(3) C(6) C(7) O(4) 47.5(6) 1_555 1_555 1_555 1_555 yes O(3) C(6) C(7) C(8) 14.5(9) 1_555 1_555 1_555 1_555 yes O(3) C(7) O(4) N(1) 14.6(7) 1_555 1_555 1_555 1_555 yes O(3) C(7) O(4) C(8) -120.7(6) 1_555 1_555 1_555 1_555 yes O(3) C(7) O(4) C(9) -131.3(8) 1_555 1_555 1_555 1_555 yes O(3) C(7) O(4) C(10) 85(1) 1_555 1_555 1_555 1_555 yes O(3) C(7) C(6) C(5) -76.4(9) 1_555 1_555 1_555 1_555 yes O(3) C(7) C(8) O(4) 65.5(6) 1_555 1_555 1_555 1_555 yes O(3) C(7) C(8) C(9) 70.3(8) 1_555 1_555 1_555 1_555 yes O(3) C(8) O(4) N(1) -88.5(9) 1_555 1_555 1_555 1_555 yes O(3) C(8) O(4) C(7) 30.8(3) 1_555 1_555 1_555 1_555 yes O(3) C(8) O(4) C(9) -154.8(4) 1_555 1_555 1_555 1_555 yes O(3) C(8) O(4) C(10) -158.6(6) 1_555 1_555 1_555 1_555 yes O(3) C(8) C(7) O(4) -65.5(6) 1_555 1_555 1_555 1_555 yes O(3) C(8) C(7) C(6) -8.5(5) 1_555 1_555 1_555 1_555 yes O(3) C(8) C(9) O(4) 29.8(5) 1_555 1_555 1_555 1_555 yes O(3) C(8) C(9) N(1) -2.9(6) 1_555 1_555 1_555 1_555 yes O(3) C(8) C(9) C(10) 34.1(8) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(1) N(1) 66.4(1) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(1) C(1) 73.1(2) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(1) C(2) 46.7(4) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(1) C(3) -83.5(5) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(1) C(4) -103.9(3) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(2) C(3) 98.8(4) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(2) C(4) 130.8(8) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(2) C(5) -83.3(10) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(2) C(6) -64.3(4) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(3) C(5) 129.4(3) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(3) C(6) 135.2(7) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(3) C(7) 1.7(4) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) O(3) C(8) -17.9(2) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) N(1) C(1) -121.7(3) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) N(1) C(2) -100.0(2) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) N(1) C(9) 16.4(2) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) N(1) C(10) -2.7(3) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) N(1) C(11) 116.2(3) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) N(1) C(12) 140.6(2) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) N(2) C(14) -2.5(7) 1_555 1_555 3_665 3_665 yes O(4) Ag(1) N(2) C(15) -173.0(4) 1_555 1_555 3_665 3_665 yes O(4) Ag(1) C(9) N(1) -142.2(4) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) C(9) C(8) 28.4(3) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) C(9) C(10) -123.8(5) 1_555 1_555 1_555 1_555 yes O(4) Ag(1) C(15) N(2) 146(1) 1_555 1_555 3_665 3_665 yes O(4) Ag(1) C(15) C(16) 115(1) 1_555 1_555 3_665 3_665 yes O(4) O(3) Ag(1) O(7) 87.0(2) 1_555 1_555 1_555 4_554 yes O(4) O(3) Ag(1) N(1) -10.1(2) 1_555 1_555 1_555 1_555 yes O(4) O(3) Ag(1) N(2) 165.7(2) 1_555 1_555 1_555 3_665 yes O(4) O(3) Ag(1) C(9) 9.7(2) 1_555 1_555 1_555 1_555 yes O(4) O(3) Ag(1) C(15) -179.5(1) 1_555 1_555 1_555 3_665 yes O(4) O(3) O(2) C(3) 4.7(8) 1_555 1_555 1_555 1_555 yes O(4) O(3) O(2) C(4) 62(3) 1_555 1_555 1_555 1_555 yes O(4) O(3) O(2) C(5) -167.0(9) 1_555 1_555 1_555 1_555 yes O(4) O(3) O(2) C(6) -154.5(7) 1_555 1_555 1_555 1_555 yes O(4) O(3) C(5) C(4) 22.9(7) 1_555 1_555 1_555 1_555 yes O(4) O(3) C(5) C(6) -145.7(10) 1_555 1_555 1_555 1_555 yes O(4) O(3) C(6) C(5) 55(1) 1_555 1_555 1_555 1_555 yes O(4) O(3) C(6) C(7) -66.2(8) 1_555 1_555 1_555 1_555 yes O(4) O(3) C(7) C(6) 138.9(5) 1_555 1_555 1_555 1_555 yes O(4) O(3) C(7) C(8) -31.8(4) 1_555 1_555 1_555 1_555 yes O(4) O(3) C(8) C(7) 119.9(6) 1_555 1_555 1_555 1_555 yes O(4) O(3) C(8) C(9) -15.6(3) 1_555 1_555 1_555 1_555 yes O(4) N(1) Ag(1) O(7) -78.7(1) 1_555 1_555 1_555 4_554 yes O(4) N(1) Ag(1) N(2) -165.6(2) 1_555 1_555 1_555 3_665 yes O(4) N(1) Ag(1) C(9) -16.4(2) 1_555 1_555 1_555 1_555 yes O(4) N(1) Ag(1) C(15) -179.9(1) 1_555 1_555 1_555 3_665 yes O(4) N(1) O(1) C(1) 145.1(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) O(1) C(2) 109.4(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) O(1) C(3) 38(1) 1_555 1_555 1_555 1_555 yes O(4) N(1) O(1) C(4) -32.0(5) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(1) C(2) -14.1(7) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(1) C(10) 59.0(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(1) C(11) 177.4(6) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(1) C(12) -150.7(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(2) C(1) 168.6(6) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(2) C(3) -52.6(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(2) C(10) 53.2(3) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(9) C(8) 17.0(3) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(9) C(10) -117.8(7) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(10) C(1) -119.6(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(10) C(2) -87.8(3) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(10) C(9) 32.7(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(10) C(11) 121.3(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(11) C(1) -177.4(5) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(11) C(10) -56.9(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(11) C(12) 109.5(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(11) C(13) 138.9(3) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(11) C(16) 78.7(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(12) N(2) 80.1(5) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(12) C(1) 149.1(5) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(12) C(11) -96.6(5) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(12) C(13) 155.2(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(12) C(14) 126.3(4) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(12) C(15) 36.1(5) 1_555 1_555 1_555 1_555 yes O(4) N(1) C(12) C(16) 11.6(5) 1_555 1_555 1_555 1_555 yes O(4) C(7) O(3) C(5) -103.3(5) 1_555 1_555 1_555 1_555 yes O(4) C(7) O(3) C(6) -138.9(5) 1_555 1_555 1_555 1_555 yes O(4) C(7) O(3) C(8) 31.8(4) 1_555 1_555 1_555 1_555 yes O(4) C(7) C(6) C(5) -28(1) 1_555 1_555 1_555 1_555 yes O(4) C(7) C(8) C(9) 4.8(4) 1_555 1_555 1_555 1_555 yes O(4) C(8) O(3) C(5) -40.5(8) 1_555 1_555 1_555 1_555 yes O(4) C(8) O(3) C(6) -103.2(9) 1_555 1_555 1_555 1_555 yes O(4) C(8) O(3) C(7) -119.9(6) 1_555 1_555 1_555 1_555 yes O(4) C(8) C(7) C(6) 57.1(9) 1_555 1_555 1_555 1_555 yes O(4) C(8) C(9) N(1) -32.6(5) 1_555 1_555 1_555 1_555 yes O(4) C(8) C(9) C(10) 4.3(6) 1_555 1_555 1_555 1_555 yes O(4) C(9) Ag(1) O(7) -100.4(4) 1_555 1_555 1_555 4_554 yes O(4) C(9) Ag(1) N(1) 142.2(4) 1_555 1_555 1_555 1_555 yes O(4) C(9) Ag(1) N(2) -134.1(4) 1_555 1_555 1_555 3_665 yes O(4) C(9) Ag(1) C(15) 176.0(3) 1_555 1_555 1_555 3_665 yes O(4) C(9) N(1) C(1) 76.3(7) 1_555 1_555 1_555 1_555 yes O(4) C(9) N(1) C(2) 49.2(4) 1_555 1_555 1_555 1_555 yes O(4) C(9) N(1) C(10) 117.8(7) 1_555 1_555 1_555 1_555 yes O(4) C(9) N(1) C(11) -141.0(4) 1_555 1_555 1_555 1_555 yes O(4) C(9) N(1) C(12) -111.5(4) 1_555 1_555 1_555 1_555 yes O(4) C(9) C(8) C(7) -8.4(7) 1_555 1_555 1_555 1_555 yes O(4) C(9) C(10) N(1) -67.7(6) 1_555 1_555 1_555 1_555 yes O(4) C(9) C(10) C(1) -42.4(9) 1_555 1_555 1_555 1_555 yes O(4) C(9) C(10) C(2) -7.0(6) 1_555 1_555 1_555 1_555 yes O(4) C(9) C(10) C(11) -106.2(4) 1_555 1_555 1_555 1_555 yes O(4) C(10) N(1) C(1) 119.6(4) 1_555 1_555 1_555 1_555 yes O(4) C(10) N(1) C(2) 87.8(3) 1_555 1_555 1_555 1_555 yes O(4) C(10) N(1) C(9) -32.7(4) 1_555 1_555 1_555 1_555 yes O(4) C(10) N(1) C(11) -121.3(4) 1_555 1_555 1_555 1_555 yes O(4) C(10) N(1) C(12) -109.8(5) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(1) N(1) -68.7(5) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(1) C(2) 48.8(5) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(1) C(11) -105.5(3) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(1) C(12) -92.6(3) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(2) N(1) -96.8(4) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(2) C(1) -135.8(5) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(2) C(3) -1.9(5) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(9) N(1) 67.7(6) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(9) C(8) -2.4(4) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(11) N(1) 67.9(4) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(11) C(1) 102.9(3) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(11) C(12) 44.1(9) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(11) C(13) 94.6(6) 1_555 1_555 1_555 1_555 yes O(4) C(10) C(11) C(16) 5.4(5) 1_555 1_555 1_555 1_555 yes O(5) S(1) F(1) O(6) 115.0(3) 1_555 1_555 1_555 1_555 yes O(5) S(1) F(1) C(17) -134.5(8) 1_555 1_555 1_555 1_555 yes O(5) S(1) F(2) O(7) -114.8(3) 1_555 1_555 1_555 1_555 yes O(5) S(1) F(2) C(17) 116.6(6) 1_555 1_555 1_555 1_555 yes O(5) S(1) F(3) O(6) 121.3(5) 1_555 1_555 1_555 1_555 yes O(5) S(1) F(3) O(7) -124.3(4) 1_555 1_555 1_555 1_555 yes O(5) S(1) F(3) C(17) -5.5(8) 1_555 1_555 1_555 1_555 yes O(5) S(1) O(6) O(7) 136.3(4) 1_555 1_555 1_555 1_555 yes O(5) S(1) O(6) C(17) -113.2(4) 1_555 1_555 1_555 1_555 yes O(5) S(1) O(7) O(6) -136.5(4) 1_555 1_555 1_555 1_555 yes O(5) S(1) O(7) C(17) 113.1(4) 1_555 1_555 1_555 1_555 yes O(5) S(1) C(17) O(6) 120.7(4) 1_555 1_555 1_555 1_555 yes O(5) S(1) C(17) O(7) -120.3(4) 1_555 1_555 1_555 1_555 yes O(5) F(1) S(1) O(6) -115.0(3) 1_555 1_555 1_555 1_555 yes O(5) F(1) S(1) O(7) 119.5(4) 1_555 1_555 1_555 1_555 yes O(5) F(1) S(1) C(17) 134.5(8) 1_555 1_555 1_555 1_555 yes O(5) F(1) F(2) O(7) -40.2(2) 1_555 1_555 1_555 1_555 yes O(5) F(1) F(2) C(17) -67.2(5) 1_555 1_555 1_555 1_555 yes O(5) F(1) F(3) O(6) -37.5(2) 1_555 1_555 1_555 1_555 yes O(5) F(1) F(3) O(7) 7.3(3) 1_555 1_555 1_555 1_555 yes O(5) F(1) F(3) C(17) 22.7(8) 1_555 1_555 1_555 1_555 yes O(5) F(1) F(3) C(17) 121.8(6) 1_555 1_555 3_656 3_656 yes O(5) F(1) O(6) O(7) 60.5(2) 1_555 1_555 1_555 1_555 yes O(5) F(1) O(6) C(17) 84.0(5) 1_555 1_555 1_555 1_555 yes O(5) F(1) C(17) O(6) -55.6(3) 1_555 1_555 1_555 1_555 yes O(5) F(1) C(17) O(7) -10(1) 1_555 1_555 1_555 1_555 yes O(5) F(2) S(1) O(6) -127.5(6) 1_555 1_555 1_555 1_555 yes O(5) F(2) S(1) O(7) 114.8(3) 1_555 1_555 1_555 1_555 yes O(5) F(2) S(1) C(17) -116.6(6) 1_555 1_555 1_555 1_555 yes O(5) F(2) F(1) O(6) 44.3(2) 1_555 1_555 1_555 1_555 yes O(5) F(2) F(1) C(17) 67.2(5) 1_555 1_555 1_555 1_555 yes O(5) F(2) F(3) O(6) 6.2(3) 1_555 1_555 1_555 1_555 yes O(5) F(2) F(3) O(7) 45.2(2) 1_555 1_555 1_555 1_555 yes O(5) F(2) F(3) C(17) -22.9(6) 1_555 1_555 1_555 1_555 yes O(5) F(2) O(7) O(6) -57.8(2) 1_555 1_555 1_555 1_555 yes O(5) F(2) O(7) C(17) -70.2(4) 1_555 1_555 1_555 1_555 yes O(5) F(2) C(17) O(6) 37.0(7) 1_555 1_555 1_555 1_555 yes O(5) F(2) C(17) O(7) 55.8(2) 1_555 1_555 1_555 1_555 yes O(5) O(6) S(1) O(7) -136.3(4) 1_555 1_555 1_555 1_555 yes O(5) O(6) S(1) C(17) 113.2(4) 1_555 1_555 1_555 1_555 yes O(5) O(6) F(1) C(17) -84.0(5) 1_555 1_555 1_555 1_555 yes O(5) O(6) F(3) O(7) -58.6(2) 1_555 1_555 1_555 1_555 yes O(5) O(6) F(3) C(17) 12.9(5) 1_555 1_555 1_555 1_555 yes O(5) O(6) O(7) C(17) 73.3(3) 1_555 1_555 1_555 1_555 yes O(5) O(6) C(17) O(7) -69.3(2) 1_555 1_555 1_555 1_555 yes O(5) O(7) Ag(1) N(1) -91.7(5) 1_555 1_555 4_455 4_455 yes O(5) O(7) S(1) O(6) 136.5(4) 1_555 1_555 1_555 1_555 yes O(5) O(7) S(1) C(17) -113.1(4) 1_555 1_555 1_555 1_555 yes O(5) O(7) F(2) C(17) 70.2(4) 1_555 1_555 1_555 1_555 yes O(5) O(7) F(3) O(6) 58.1(3) 1_555 1_555 1_555 1_555 yes O(5) O(7) F(3) C(17) -19.1(5) 1_555 1_555 1_555 1_555 yes O(5) O(7) O(6) C(17) -73.3(3) 1_555 1_555 1_555 1_555 yes O(5) O(7) C(17) O(6) 68.9(3) 1_555 1_555 1_555 1_555 yes O(5) C(17) S(1) O(6) -120.7(4) 1_555 1_555 1_555 1_555 yes O(5) C(17) S(1) O(7) 120.3(4) 1_555 1_555 1_555 1_555 yes O(5) C(17) F(1) O(6) 55.6(3) 1_555 1_555 1_555 1_555 yes O(5) C(17) F(2) O(7) -55.8(2) 1_555 1_555 1_555 1_555 yes O(5) C(17) F(3) O(6) -22.2(9) 1_555 1_555 1_555 1_555 yes O(5) C(17) F(3) O(7) 33.9(8) 1_555 1_555 1_555 1_555 yes O(5) C(17) O(6) O(7) 69.3(2) 1_555 1_555 1_555 1_555 yes O(5) C(17) O(7) O(6) -68.9(3) 1_555 1_555 1_555 1_555 yes O(6) S(1) F(1) C(17) 110.5(8) 1_555 1_555 1_555 1_555 yes O(6) S(1) F(2) O(7) 117.7(5) 1_555 1_555 1_555 1_555 yes O(6) S(1) F(2) C(17) -10.8(9) 1_555 1_555 1_555 1_555 yes O(6) S(1) F(3) O(7) 114.4(4) 1_555 1_555 1_555 1_555 yes O(6) S(1) F(3) C(17) -126.8(8) 1_555 1_555 1_555 1_555 yes O(6) S(1) O(5) O(7) -136.1(5) 1_555 1_555 1_555 1_555 yes O(6) S(1) O(5) C(17) 112.1(5) 1_555 1_555 1_555 1_555 yes O(6) S(1) O(7) C(17) -110.5(4) 1_555 1_555 1_555 1_555 yes O(6) S(1) C(17) O(7) 119.0(4) 1_555 1_555 1_555 1_555 yes O(6) F(1) S(1) O(7) -125.5(4) 1_555 1_555 1_555 1_555 yes O(6) F(1) S(1) C(17) -110.5(8) 1_555 1_555 1_555 1_555 yes O(6) F(1) F(2) O(7) 4.0(3) 1_555 1_555 1_555 1_555 yes O(6) F(1) F(2) C(17) -23.0(5) 1_555 1_555 1_555 1_555 yes O(6) F(1) F(3) O(7) 44.9(2) 1_555 1_555 1_555 1_555 yes O(6) F(1) F(3) C(17) 60.2(8) 1_555 1_555 1_555 1_555 yes O(6) F(1) F(3) C(17) 70.8(6) 1_555 1_555 3_656 3_656 yes O(6) F(1) O(5) O(7) -58.5(3) 1_555 1_555 1_555 1_555 yes O(6) F(1) O(5) C(17) -64.5(6) 1_555 1_555 1_555 1_555 yes O(6) F(1) C(17) O(7) 44(1) 1_555 1_555 1_555 1_555 yes O(6) F(3) S(1) O(7) -114.4(4) 1_555 1_555 1_555 1_555 yes O(6) F(3) S(1) C(17) 126.8(8) 1_555 1_555 1_555 1_555 yes O(6) F(3) F(1) C(17) -60.2(8) 1_555 1_555 1_555 1_555 yes O(6) F(3) F(1) C(17) -71(1) 1_555 1_555 3_656 3_656 yes O(6) F(3) F(2) O(7) -39.0(3) 1_555 1_555 1_555 1_555 yes O(6) F(3) F(2) C(17) 29.1(6) 1_555 1_555 1_555 1_555 yes O(6) F(3) O(7) C(17) 77.2(6) 1_555 1_555 1_555 1_555 yes O(6) F(3) C(17) O(7) -56.2(3) 1_555 1_555 1_555 1_555 yes O(6) O(5) S(1) O(7) 136.1(5) 1_555 1_555 1_555 1_555 yes O(6) O(5) S(1) C(17) -112.1(5) 1_555 1_555 1_555 1_555 yes O(6) O(5) F(1) C(17) 64.5(6) 1_555 1_555 1_555 1_555 yes O(6) O(5) F(2) O(7) 57.3(3) 1_555 1_555 1_555 1_555 yes O(6) O(5) F(2) C(17) -23.4(5) 1_555 1_555 1_555 1_555 yes O(6) O(5) O(7) C(17) -71.3(3) 1_555 1_555 1_555 1_555 yes O(6) O(5) C(17) O(7) 68.9(3) 1_555 1_555 1_555 1_555 yes O(6) O(7) Ag(1) N(1) -9.0(3) 1_555 1_555 4_455 4_455 yes O(6) O(7) S(1) C(17) 110.5(4) 1_555 1_555 1_555 1_555 yes O(6) O(7) F(2) C(17) 12.3(5) 1_555 1_555 1_555 1_555 yes O(6) O(7) F(3) C(17) -77.2(6) 1_555 1_555 1_555 1_555 yes O(6) O(7) O(5) C(17) 71.3(3) 1_555 1_555 1_555 1_555 yes O(6) C(17) S(1) O(7) -119.0(4) 1_555 1_555 1_555 1_555 yes O(6) C(17) F(2) O(7) -18.8(8) 1_555 1_555 1_555 1_555 yes O(6) C(17) F(3) O(7) 56.2(3) 1_555 1_555 1_555 1_555 yes O(6) C(17) O(5) O(7) -68.9(3) 1_555 1_555 1_555 1_555 yes O(7) Ag(1) N(1) C(1) -159.6(3) 1_555 4_455 4_455 4_455 yes O(7) Ag(1) N(1) C(10) 81.5(3) 1_555 4_455 4_455 4_455 yes O(7) Ag(1) N(1) C(11) -37.5(3) 1_555 4_455 4_455 4_455 yes O(7) S(1) F(1) C(17) -15.0(9) 1_555 1_555 1_555 1_555 yes O(7) S(1) F(2) C(17) -128.6(6) 1_555 1_555 1_555 1_555 yes O(7) S(1) F(3) C(17) 118.8(7) 1_555 1_555 1_555 1_555 yes O(7) S(1) O(5) C(17) -111.8(4) 1_555 1_555 1_555 1_555 yes O(7) S(1) O(6) C(17) 110.4(4) 1_555 1_555 1_555 1_555 yes O(7) F(2) S(1) C(17) 128.6(6) 1_555 1_555 1_555 1_555 yes O(7) F(2) F(1) C(17) 27.0(5) 1_555 1_555 1_555 1_555 yes O(7) F(2) F(3) C(17) -68.1(6) 1_555 1_555 1_555 1_555 yes O(7) F(2) O(5) C(17) 80.7(5) 1_555 1_555 1_555 1_555 yes O(7) F(3) S(1) C(17) -118.8(7) 1_555 1_555 1_555 1_555 yes O(7) F(3) F(1) C(17) -15.4(8) 1_555 1_555 1_555 1_555 yes O(7) F(3) F(1) C(17) -68(1) 1_555 1_555 3_656 3_656 yes O(7) F(3) F(2) C(17) 68.1(6) 1_555 1_555 1_555 1_555 yes O(7) F(3) O(6) C(17) -71.5(5) 1_555 1_555 1_555 1_555 yes O(7) O(5) S(1) C(17) 111.8(4) 1_555 1_555 1_555 1_555 yes O(7) O(5) F(1) C(17) 6.0(6) 1_555 1_555 1_555 1_555 yes O(7) O(5) F(2) C(17) -80.7(5) 1_555 1_555 1_555 1_555 yes O(7) O(5) O(6) C(17) 71.7(3) 1_555 1_555 1_555 1_555 yes O(7) O(6) S(1) C(17) -110.4(4) 1_555 1_555 1_555 1_555 yes O(7) O(6) F(1) C(17) -23.6(5) 1_555 1_555 1_555 1_555 yes O(7) O(6) F(3) C(17) 71.5(5) 1_555 1_555 1_555 1_555 yes O(7) O(6) O(5) C(17) -71.7(3) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(1) C(1) 6.8(2) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(1) C(2) -19.6(4) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(1) C(3) -149.8(6) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(1) C(4) -170.3(3) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(2) C(3) 26.4(5) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(2) C(4) 58.4(9) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(2) C(5) -155.6(9) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(2) C(6) -136.6(4) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(3) C(5) 119.3(3) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(3) C(6) 125.1(6) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(3) C(7) -8.4(5) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(3) C(8) -28.0(3) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(4) C(7) 171.7(2) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(4) C(8) -155.1(4) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(4) C(9) -29.8(3) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(4) C(10) 1.6(2) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) N(2) C(14) 132.7(4) 1_555 1_555 3_665 3_665 yes N(1) Ag(1) N(2) C(15) -37.8(4) 1_555 1_555 3_665 3_665 yes N(1) Ag(1) C(9) C(8) 170.6(3) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) C(9) C(10) 18.4(3) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) C(15) N(2) 147.8(3) 1_555 1_555 3_665 3_665 yes N(1) Ag(1) C(15) C(16) 117(1) 1_555 1_555 3_665 3_665 yes N(1) O(1) Ag(1) N(2) -122.3(1) 1_555 1_555 1_555 3_665 yes N(1) O(1) Ag(1) C(9) 39.5(2) 1_555 1_555 1_555 1_555 yes N(1) O(1) Ag(1) C(15) -109.7(1) 1_555 1_555 1_555 3_665 yes N(1) O(1) O(2) C(3) 152.8(6) 1_555 1_555 1_555 1_555 yes N(1) O(1) O(2) C(4) -168.7(6) 1_555 1_555 1_555 1_555 yes N(1) O(1) O(2) C(5) -38(3) 1_555 1_555 1_555 1_555 yes N(1) O(1) O(2) C(6) 0(1) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(1) C(2) -124.2(7) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(1) C(10) -34.4(3) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(1) C(11) 27.5(3) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(1) C(12) 55.0(3) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(2) C(1) 28.8(4) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(2) C(3) -154.5(5) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(2) C(10) -24.3(2) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(3) C(2) 59.2(10) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(3) C(4) -106(1) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(4) C(3) 136.3(8) 1_555 1_555 1_555 1_555 yes N(1) O(1) C(4) C(5) 10.6(8) 1_555 1_555 1_555 1_555 yes N(1) O(4) Ag(1) N(2) 141.4(4) 1_555 1_555 1_555 3_665 yes N(1) O(4) Ag(1) C(9) 29.8(3) 1_555 1_555 1_555 1_555 yes N(1) O(4) Ag(1) C(15) 1(1) 1_555 1_555 1_555 3_665 yes N(1) O(4) O(3) C(5) -54.4(4) 1_555 1_555 1_555 1_555 yes N(1) O(4) O(3) C(6) -85.2(8) 1_555 1_555 1_555 1_555 yes N(1) O(4) O(3) C(7) -171.3(4) 1_555 1_555 1_555 1_555 yes N(1) O(4) O(3) C(8) 151.0(4) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(7) C(6) -9.7(7) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(7) C(8) 135.2(6) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(8) C(7) -119.3(9) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(8) C(9) 66.3(9) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(9) C(8) -152.6(4) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(9) C(10) 30.4(3) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(10) C(1) 32.2(3) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(10) C(2) 53.3(3) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(10) C(9) -121.2(6) 1_555 1_555 1_555 1_555 yes N(1) O(4) C(10) C(11) -33.6(3) 1_555 1_555 1_555 1_555 yes N(1) C(1) O(1) C(2) 124.2(7) 1_555 1_555 1_555 1_555 yes N(1) C(1) O(1) C(3) 130.0(9) 1_555 1_555 1_555 1_555 yes N(1) C(1) O(1) C(4) 14(2) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(2) C(3) -67(1) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(2) C(10) 33.4(3) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(10) C(2) -117.6(6) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(10) C(9) -43.7(8) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(10) C(11) 36.7(4) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(11) C(10) -35.3(4) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(11) C(12) 117.2(5) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(11) C(13) 140.0(4) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(11) C(16) 91.1(5) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(12) N(2) 138.8(4) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(12) C(11) -39.7(4) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(12) C(13) -174.7(4) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(12) C(14) 164.2(4) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(12) C(15) 100.5(5) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(12) C(16) 57.5(5) 1_555 1_555 1_555 1_555 yes N(1) C(2) O(1) C(1) -28.8(4) 1_555 1_555 1_555 1_555 yes N(1) C(2) O(1) C(3) 154.5(5) 1_555 1_555 1_555 1_555 yes N(1) C(2) O(1) C(4) 140.1(6) 1_555 1_555 1_555 1_555 yes N(1) C(2) C(1) C(10) -33.4(3) 1_555 1_555 1_555 1_555 yes N(1) C(2) C(1) C(11) 13.2(6) 1_555 1_555 1_555 1_555 yes N(1) C(2) C(1) C(12) 63.3(6) 1_555 1_555 1_555 1_555 yes N(1) C(2) C(3) C(4) -9(1) 1_555 1_555 1_555 1_555 yes N(1) C(2) C(10) C(1) 38.9(4) 1_555 1_555 1_555 1_555 yes N(1) C(2) C(10) C(9) -92.8(6) 1_555 1_555 1_555 1_555 yes N(1) C(2) C(10) C(11) 16.8(3) 1_555 1_555 1_555 1_555 yes N(1) C(9) Ag(1) N(2) 83.7(4) 1_555 1_555 1_555 3_665 yes N(1) C(9) Ag(1) C(15) 33.8(4) 1_555 1_555 1_555 3_665 yes N(1) C(9) O(4) C(7) 159.5(6) 1_555 1_555 1_555 1_555 yes N(1) C(9) O(4) C(8) 152.6(4) 1_555 1_555 1_555 1_555 yes N(1) C(9) O(4) C(10) -30.4(3) 1_555 1_555 1_555 1_555 yes N(1) C(9) C(8) C(7) -41.0(9) 1_555 1_555 1_555 1_555 yes N(1) C(9) C(10) C(1) 25.3(4) 1_555 1_555 1_555 1_555 yes N(1) C(9) C(10) C(2) 60.7(4) 1_555 1_555 1_555 1_555 yes N(1) C(9) C(10) C(11) -38.5(3) 1_555 1_555 1_555 1_555 yes N(1) C(10) O(4) C(7) -87(1) 1_555 1_555 1_555 1_555 yes N(1) C(10) O(4) C(8) 126.8(8) 1_555 1_555 1_555 1_555 yes N(1) C(10) O(4) C(9) 121.2(6) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(1) C(2) 117.6(6) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(1) C(11) -36.7(4) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(1) C(12) -23.8(4) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(2) C(1) -38.9(4) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(2) C(3) 94.9(5) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(9) C(8) -70.2(8) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(11) C(1) 34.9(4) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(11) C(12) -23.8(8) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(11) C(13) 26.7(6) 1_555 1_555 1_555 1_555 yes N(1) C(10) C(11) C(16) -62.5(5) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(1) C(2) -20.8(9) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(1) C(10) 35.3(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(1) C(12) -117.2(5) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(10) C(1) -34.9(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(10) C(2) -23.0(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(10) C(9) 105.5(6) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(12) N(2) -107(10) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(12) C(1) 34.3(3) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(12) C(13) 92.3(6) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(12) C(14) 92.0(9) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(12) C(15) -91.1(8) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(12) C(16) -89.1(6) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(13) N(2) -100.2(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(13) C(12) -99.3(6) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(13) C(14) -98.8(9) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(13) C(15) -100.8(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(13) C(16) -100.1(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(16) N(2) 103.5(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(16) C(12) 102.7(6) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(16) C(13) 103.4(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(16) C(14) 103.1(4) 1_555 1_555 1_555 1_555 yes N(1) C(11) C(16) C(15) 106.3(8) 1_555 1_555 1_555 1_555 yes N(1) C(12) N(2) C(13) 94.7(6) 1_555 1_555 1_555 1_555 yes N(1) C(12) N(2) C(14) 93.6(5) 1_555 1_555 1_555 1_555 yes N(1) C(12) N(2) C(15) -87.3(5) 1_555 1_555 1_555 1_555 yes N(1) C(12) N(2) C(16) -85.9(5) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(1) C(2) -86.0(7) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(1) C(10) 16.3(3) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(1) C(11) 39.7(4) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(11) C(1) -34.3(3) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(11) C(10) 15.0(5) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(11) C(13) -92.3(6) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(11) C(16) 89.1(6) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(13) N(2) -142.2(3) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(13) C(11) 38.5(4) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(13) C(14) -141.2(5) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(13) C(15) -143.2(4) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(13) C(16) -142.8(6) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(14) N(2) -124.4(4) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(14) C(13) 57.5(7) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(14) C(15) -124.9(4) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(14) C(16) -124.0(5) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(15) N(2) 128.2(4) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(15) C(13) 129.9(5) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(15) C(14) 128.7(4) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(15) C(16) -49.5(6) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(16) N(2) 143.9(2) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(16) C(11) -36.8(3) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(16) C(13) 144.5(6) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(16) C(14) 143.7(3) 1_555 1_555 1_555 1_555 yes N(1) C(12) C(16) C(15) 145.2(4) 1_555 1_555 1_555 1_555 yes N(2) Ag(1) N(1) C(1) -72.7(4) 1_555 3_665 3_665 3_665 yes N(2) Ag(1) N(1) C(10) 168.3(3) 1_555 3_665 3_665 3_665 yes N(2) Ag(1) N(1) C(11) 49.4(4) 1_555 3_665 3_665 3_665 yes N(2) C(12) N(1) C(1) -69.1(6) 1_555 1_555 1_555 1_555 yes N(2) C(12) N(1) C(2) -43.6(6) 1_555 1_555 1_555 1_555 yes N(2) C(12) N(1) C(9) 116.1(5) 1_555 1_555 1_555 1_555 yes N(2) C(12) N(1) C(10) 156.5(5) 1_555 1_555 1_555 1_555 yes N(2) C(12) N(1) C(11) 176.7(7) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(1) C(2) 52.8(8) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(1) C(10) 155.1(3) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(1) C(11) 178.5(5) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(11) C(1) -141(10) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(11) C(10) -92(10) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(11) C(13) 160(11) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(11) C(16) -18(10) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(13) C(11) -179.3(4) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(13) C(14) 1.0(4) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(13) C(15) -0.9(2) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(13) C(16) -0.6(5) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(14) C(13) -178.1(7) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(14) C(15) -0.5(3) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(14) C(16) 0.4(4) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(15) C(13) 1.7(4) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(15) C(14) 0.5(3) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(15) C(16) -177.6(6) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(16) C(11) 179.3(4) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(16) C(13) 0.6(5) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(16) C(14) -0.2(2) 1_555 1_555 1_555 1_555 yes N(2) C(12) C(16) C(15) 1.3(4) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(11) C(1) -123.9(3) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(11) C(10) -116.7(5) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(11) C(12) -0.9(5) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(11) C(16) -0.1(3) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(12) C(1) -139.4(2) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(12) C(11) 179.3(4) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(12) C(14) -1.0(4) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(12) C(15) 0.9(2) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(12) C(16) 0.6(5) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(14) C(12) 2.2(9) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(14) C(15) 0.1(4) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(14) C(16) 1.4(6) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(15) C(12) -178.1(5) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(15) C(14) -0.1(4) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(15) C(16) -177.7(5) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(16) C(11) 179.9(3) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(16) C(12) -179.3(5) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(16) C(14) -0.7(3) 1_555 1_555 1_555 1_555 yes N(2) C(13) C(16) C(15) 1.3(3) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(12) C(1) -136.0(3) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(12) C(11) 178.7(8) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(12) C(13) 178.1(7) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(12) C(15) 0.5(3) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(12) C(16) -0.4(4) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(13) C(11) -2(1) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(13) C(12) -2.2(9) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(13) C(15) -0.1(4) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(13) C(16) -1.4(6) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(15) C(12) -179.0(5) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(15) C(13) 179.8(7) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(15) C(16) -178.1(6) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(16) C(11) 179.3(3) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(16) C(12) 179.5(5) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(16) C(13) 178.7(5) 1_555 1_555 1_555 1_555 yes N(2) C(14) C(16) C(15) 1.1(4) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(12) C(1) 84.3(5) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(12) C(11) -178.9(7) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(12) C(13) -1.7(4) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(12) C(14) -0.5(3) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(12) C(16) 177.6(6) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(13) C(11) 178.9(4) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(13) C(12) 178.1(5) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(13) C(14) 0.1(4) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(13) C(16) 177.7(5) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(14) C(12) 179.0(5) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(14) C(13) -179.8(7) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(14) C(16) 178.1(6) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(16) C(11) -4(1) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(16) C(12) -2.8(8) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(16) C(13) -2.4(5) 1_555 1_555 1_555 1_555 yes N(2) C(15) C(16) C(14) -1.2(4) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(11) C(1) 65.3(4) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(11) C(10) 137.1(4) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(11) C(12) 0.8(5) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(11) C(13) 0.1(3) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(12) C(1) 117.4(4) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(12) C(11) -179.3(4) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(12) C(13) -0.6(5) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(12) C(14) 0.2(2) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(12) C(15) -1.3(4) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(13) C(11) -179.9(3) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(13) C(12) 179.3(5) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(13) C(14) 0.7(3) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(13) C(15) -1.3(3) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(14) C(12) -179.5(5) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(14) C(13) -178.7(5) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(14) C(15) -1.1(4) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(15) C(12) 2.8(8) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(15) C(13) 2.4(5) 1_555 1_555 1_555 1_555 yes N(2) C(16) C(15) C(14) 1.2(4) 1_555 1_555 1_555 1_555 yes C(1) O(1) Ag(1) C(9) 46.3(2) 1_555 1_555 1_555 1_555 yes C(1) O(1) Ag(1) C(15) -102.9(2) 1_555 1_555 1_555 3_665 yes C(1) O(1) O(2) C(3) 142.5(7) 1_555 1_555 1_555 1_555 yes C(1) O(1) O(2) C(4) -179.0(6) 1_555 1_555 1_555 1_555 yes C(1) O(1) O(2) C(5) -48(3) 1_555 1_555 1_555 1_555 yes C(1) O(1) O(2) C(6) -9(1) 1_555 1_555 1_555 1_555 yes C(1) O(1) N(1) C(2) 35.7(5) 1_555 1_555 1_555 1_555 yes C(1) O(1) N(1) C(9) 136.1(4) 1_555 1_555 1_555 1_555 yes C(1) O(1) N(1) C(10) 99.7(5) 1_555 1_555 1_555 1_555 yes C(1) O(1) N(1) C(11) -74.9(6) 1_555 1_555 1_555 1_555 yes C(1) O(1) N(1) C(12) -85.6(4) 1_555 1_555 1_555 1_555 yes C(1) O(1) C(2) C(3) 176.7(6) 1_555 1_555 1_555 1_555 yes C(1) O(1) C(2) C(10) -53.2(4) 1_555 1_555 1_555 1_555 yes C(1) O(1) C(3) C(2) -3.7(6) 1_555 1_555 1_555 1_555 yes C(1) O(1) C(3) C(4) -169.5(6) 1_555 1_555 1_555 1_555 yes C(1) O(1) C(4) C(3) 123(2) 1_555 1_555 1_555 1_555 yes C(1) O(1) C(4) C(5) -1(3) 1_555 1_555 1_555 1_555 yes C(1) N(1) Ag(1) C(9) -138.1(4) 1_555 1_555 1_555 1_555 yes C(1) N(1) Ag(1) C(15) 58.4(3) 1_555 1_555 1_555 3_665 yes C(1) N(1) O(1) C(2) -35.7(5) 1_555 1_555 1_555 1_555 yes C(1) N(1) O(1) C(3) -106(1) 1_555 1_555 1_555 1_555 yes C(1) N(1) O(1) C(4) -177.1(6) 1_555 1_555 1_555 1_555 yes C(1) N(1) O(4) C(7) 70.2(6) 1_555 1_555 1_555 1_555 yes C(1) N(1) O(4) C(8) 151.9(9) 1_555 1_555 1_555 1_555 yes C(1) N(1) O(4) C(9) -128.5(5) 1_555 1_555 1_555 1_555 yes C(1) N(1) O(4) C(10) -90.8(5) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(2) C(3) 138.9(8) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(2) C(10) -115.4(6) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(9) C(8) 93.3(6) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(9) C(10) -41.5(8) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(10) C(2) 31.8(4) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(10) C(9) 152.4(5) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(10) C(11) -119.1(6) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(11) C(10) 120.5(6) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(11) C(12) -73.0(6) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(11) C(13) -43.6(5) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(11) C(16) -103.9(4) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(12) C(11) 114.3(6) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(12) C(13) 6.0(5) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(12) C(14) -22.8(5) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(12) C(15) -113.0(4) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(12) C(16) -137.6(4) 1_555 1_555 1_555 1_555 yes C(1) C(2) O(1) C(3) -176.7(6) 1_555 1_555 1_555 1_555 yes C(1) C(2) O(1) C(4) 168.9(5) 1_555 1_555 1_555 1_555 yes C(1) C(2) N(1) C(9) 146.8(6) 1_555 1_555 1_555 1_555 yes C(1) C(2) N(1) C(10) 115.4(6) 1_555 1_555 1_555 1_555 yes C(1) C(2) N(1) C(11) -17.5(8) 1_555 1_555 1_555 1_555 yes C(1) C(2) N(1) C(12) -51.6(6) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(3) C(4) 27(1) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(10) C(9) -131.7(6) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(10) C(11) -22.1(4) 1_555 1_555 1_555 1_555 yes C(1) C(10) O(4) C(7) -55(1) 1_555 1_555 1_555 1_555 yes C(1) C(10) O(4) C(8) 159.0(7) 1_555 1_555 1_555 1_555 yes C(1) C(10) O(4) C(9) 153.4(6) 1_555 1_555 1_555 1_555 yes C(1) C(10) N(1) C(2) -31.8(4) 1_555 1_555 1_555 1_555 yes C(1) C(10) N(1) C(9) -152.4(5) 1_555 1_555 1_555 1_555 yes C(1) C(10) N(1) C(11) 119.1(6) 1_555 1_555 1_555 1_555 yes C(1) C(10) N(1) C(12) 130.5(7) 1_555 1_555 1_555 1_555 yes C(1) C(10) C(2) C(3) 133.8(6) 1_555 1_555 1_555 1_555 yes C(1) C(10) C(9) C(8) -44(1) 1_555 1_555 1_555 1_555 yes C(1) C(10) C(11) C(12) -58.7(8) 1_555 1_555 1_555 1_555 yes C(1) C(10) C(11) C(13) -8.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(10) C(11) C(16) -97.4(4) 1_555 1_555 1_555 1_555 yes C(1) C(11) N(1) C(2) 9.9(4) 1_555 1_555 1_555 1_555 yes C(1) C(11) N(1) C(9) -155.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(11) N(1) C(10) -120.5(6) 1_555 1_555 1_555 1_555 yes C(1) C(11) N(1) C(12) 73.0(6) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(10) C(2) 11.9(2) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(10) C(9) 140.4(5) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(12) C(13) 58.0(5) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(12) C(14) 57.6(9) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(12) C(15) -125.4(7) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(12) C(16) -123.4(4) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(13) C(12) -123.0(6) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(13) C(14) -122.6(8) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(13) C(15) -124.5(2) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(13) C(16) -123.8(3) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(16) C(12) 64.5(5) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(16) C(13) 65.2(3) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(16) C(14) 64.9(3) 1_555 1_555 1_555 1_555 yes C(1) C(11) C(16) C(15) 68.1(9) 1_555 1_555 1_555 1_555 yes C(1) C(12) N(1) C(2) 25.5(3) 1_555 1_555 1_555 1_555 yes C(1) C(12) N(1) C(9) -174.9(5) 1_555 1_555 1_555 1_555 yes C(1) C(12) N(1) C(10) -134.4(7) 1_555 1_555 1_555 1_555 yes C(1) C(12) N(1) C(11) -114.3(6) 1_555 1_555 1_555 1_555 yes C(1) C(12) N(2) C(13) 58.5(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) N(2) C(14) 57.4(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) N(2) C(15) -123.5(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) N(2) C(16) -122.1(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(11) C(10) 49.3(7) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(11) C(13) -58.0(5) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(11) C(16) 123.4(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(13) C(11) 41.4(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(13) C(14) -138.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(13) C(15) -140.3(2) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(13) C(16) -139.9(5) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(14) C(13) 45.8(6) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(14) C(15) -136.5(3) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(14) C(16) -135.6(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(15) C(13) 86.0(5) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(15) C(14) 84.8(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(15) C(16) -93.3(6) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(16) C(11) -63.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(16) C(13) 118.0(6) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(16) C(14) 117.2(4) 1_555 1_555 1_555 1_555 yes C(1) C(12) C(16) C(15) 118.7(5) 1_555 1_555 1_555 1_555 yes C(2) O(1) Ag(1) C(9) 19.9(4) 1_555 1_555 1_555 1_555 yes C(2) O(1) Ag(1) C(15) -129.3(4) 1_555 1_555 1_555 3_665 yes C(2) O(1) O(2) C(3) 83.0(7) 1_555 1_555 1_555 1_555 yes C(2) O(1) O(2) C(4) 121.5(8) 1_555 1_555 1_555 1_555 yes C(2) O(1) O(2) C(5) -108(3) 1_555 1_555 1_555 1_555 yes C(2) O(1) O(2) C(6) -69(1) 1_555 1_555 1_555 1_555 yes C(2) O(1) N(1) C(9) 100.4(4) 1_555 1_555 1_555 1_555 yes C(2) O(1) N(1) C(10) 63.9(5) 1_555 1_555 1_555 1_555 yes C(2) O(1) N(1) C(11) -110.6(6) 1_555 1_555 1_555 1_555 yes C(2) O(1) N(1) C(12) -121.3(4) 1_555 1_555 1_555 1_555 yes C(2) O(1) C(1) C(10) 89.9(6) 1_555 1_555 1_555 1_555 yes C(2) O(1) C(1) C(11) 151.8(7) 1_555 1_555 1_555 1_555 yes C(2) O(1) C(1) C(12) 179.2(6) 1_555 1_555 1_555 1_555 yes C(2) O(1) C(3) C(4) -165.8(7) 1_555 1_555 1_555 1_555 yes C(2) O(1) C(4) C(3) 23(1) 1_555 1_555 1_555 1_555 yes C(2) O(1) C(4) C(5) -102.2(8) 1_555 1_555 1_555 1_555 yes C(2) N(1) Ag(1) C(9) -116.4(3) 1_555 1_555 1_555 1_555 yes C(2) N(1) Ag(1) C(15) 80.1(2) 1_555 1_555 1_555 3_665 yes C(2) N(1) O(1) C(3) -70(1) 1_555 1_555 1_555 1_555 yes C(2) N(1) O(1) C(4) -141.4(6) 1_555 1_555 1_555 1_555 yes C(2) N(1) O(4) C(7) 62.5(5) 1_555 1_555 1_555 1_555 yes C(2) N(1) O(4) C(8) 144.2(9) 1_555 1_555 1_555 1_555 yes C(2) N(1) O(4) C(9) -136.2(4) 1_555 1_555 1_555 1_555 yes C(2) N(1) O(4) C(10) -98.4(4) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(1) C(10) 73.1(6) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(1) C(11) -168.4(5) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(1) C(12) -136.6(5) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(9) C(8) 66.1(5) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(9) C(10) -68.6(6) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(10) C(9) 120.5(5) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(10) C(11) -150.9(5) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(11) C(10) 130.5(7) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(11) C(12) -63.1(7) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(11) C(13) -33.7(7) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(11) C(16) -93.9(6) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(12) C(11) 139.7(6) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(12) C(13) 31.5(5) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(12) C(14) 2.6(6) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(12) C(15) -87.6(4) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(12) C(16) -112.1(4) 1_555 1_555 1_555 1_555 yes C(2) C(1) O(1) C(3) 5.8(10) 1_555 1_555 1_555 1_555 yes C(2) C(1) O(1) C(4) -109(2) 1_555 1_555 1_555 1_555 yes C(2) C(1) N(1) C(9) -50.0(8) 1_555 1_555 1_555 1_555 yes C(2) C(1) N(1) C(10) -73.1(6) 1_555 1_555 1_555 1_555 yes C(2) C(1) N(1) C(11) 168.4(5) 1_555 1_555 1_555 1_555 yes C(2) C(1) N(1) C(12) 136.6(5) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(10) C(9) 73.8(8) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(10) C(11) 154.3(5) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(11) C(10) -56.1(9) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(11) C(12) 96.4(10) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(11) C(13) 119.2(9) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(11) C(16) 70.2(10) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(12) C(11) -125.7(8) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(12) C(13) 99.2(7) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(12) C(14) 78.2(7) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(12) C(15) 14.5(9) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(12) C(16) -28.5(9) 1_555 1_555 1_555 1_555 yes C(2) C(3) O(1) C(4) 165.8(7) 1_555 1_555 1_555 1_555 yes C(2) C(3) O(2) C(4) -146.6(9) 1_555 1_555 1_555 1_555 yes C(2) C(3) O(2) C(5) 164(3) 1_555 1_555 1_555 1_555 yes C(2) C(3) O(2) C(6) 47(1) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(4) C(5) 61(1) 1_555 1_555 1_555 1_555 yes C(2) C(10) O(4) C(7) -34(1) 1_555 1_555 1_555 1_555 yes C(2) C(10) O(4) C(8) -179.9(7) 1_555 1_555 1_555 1_555 yes C(2) C(10) O(4) C(9) 174.4(5) 1_555 1_555 1_555 1_555 yes C(2) C(10) N(1) C(9) -120.5(5) 1_555 1_555 1_555 1_555 yes C(2) C(10) N(1) C(11) 150.9(5) 1_555 1_555 1_555 1_555 yes C(2) C(10) N(1) C(12) 162.4(6) 1_555 1_555 1_555 1_555 yes C(2) C(10) C(1) C(11) -154.3(5) 1_555 1_555 1_555 1_555 yes C(2) C(10) C(1) C(12) -141.4(5) 1_555 1_555 1_555 1_555 yes C(2) C(10) C(9) C(8) -9.5(9) 1_555 1_555 1_555 1_555 yes C(2) C(10) C(11) C(12) -46.8(8) 1_555 1_555 1_555 1_555 yes C(2) C(10) C(11) C(13) 3.7(6) 1_555 1_555 1_555 1_555 yes C(2) C(10) C(11) C(16) -85.5(4) 1_555 1_555 1_555 1_555 yes C(3) O(1) Ag(1) C(9) -110.3(5) 1_555 1_555 1_555 1_555 yes C(3) O(1) Ag(1) C(15) 100.5(5) 1_555 1_555 1_555 3_665 yes C(3) O(1) O(2) C(4) 38.5(8) 1_555 1_555 1_555 1_555 yes C(3) O(1) O(2) C(5) 168(3) 1_555 1_555 1_555 1_555 yes C(3) O(1) O(2) C(6) -152(1) 1_555 1_555 1_555 1_555 yes C(3) O(1) N(1) C(9) 29(1) 1_555 1_555 1_555 1_555 yes C(3) O(1) N(1) C(10) -6(1) 1_555 1_555 1_555 1_555 yes C(3) O(1) N(1) C(11) 178(1) 1_555 1_555 1_555 1_555 yes C(3) O(1) N(1) C(12) 168(1) 1_555 1_555 1_555 1_555 yes C(3) O(1) C(1) C(10) 95.7(9) 1_555 1_555 1_555 1_555 yes C(3) O(1) C(1) C(11) 157.6(8) 1_555 1_555 1_555 1_555 yes C(3) O(1) C(1) C(12) -175.0(8) 1_555 1_555 1_555 1_555 yes C(3) O(1) C(2) C(10) 130.2(5) 1_555 1_555 1_555 1_555 yes C(3) O(1) C(4) C(5) -125.7(10) 1_555 1_555 1_555 1_555 yes C(3) O(2) Ag(1) C(9) 85.9(4) 1_555 1_555 1_555 1_555 yes C(3) O(2) Ag(1) C(15) -77.8(4) 1_555 1_555 1_555 3_665 yes C(3) O(2) O(1) C(4) -38.5(8) 1_555 1_555 1_555 1_555 yes C(3) O(2) O(3) C(5) 171(1) 1_555 1_555 1_555 1_555 yes C(3) O(2) O(3) C(6) 159(1) 1_555 1_555 1_555 1_555 yes C(3) O(2) O(3) C(7) 58.6(9) 1_555 1_555 1_555 1_555 yes C(3) O(2) O(3) C(8) 15.9(10) 1_555 1_555 1_555 1_555 yes C(3) O(2) C(4) C(5) -164(1) 1_555 1_555 1_555 1_555 yes C(3) O(2) C(5) C(4) 37(2) 1_555 1_555 1_555 1_555 yes C(3) O(2) C(5) C(6) -145(3) 1_555 1_555 1_555 1_555 yes C(3) O(2) C(6) C(5) 149(2) 1_555 1_555 1_555 1_555 yes C(3) O(2) C(6) C(7) -21(1) 1_555 1_555 1_555 1_555 yes C(3) C(2) O(1) C(4) -14.4(6) 1_555 1_555 1_555 1_555 yes C(3) C(2) N(1) C(9) -74.3(5) 1_555 1_555 1_555 1_555 yes C(3) C(2) N(1) C(10) -105.7(5) 1_555 1_555 1_555 1_555 yes C(3) C(2) N(1) C(11) 121.4(6) 1_555 1_555 1_555 1_555 yes C(3) C(2) N(1) C(12) 87.3(5) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(1) C(10) -101.1(8) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(1) C(11) -54(1) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(1) C(12) -4(1) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(10) C(9) 2.2(7) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(10) C(11) 111.7(4) 1_555 1_555 1_555 1_555 yes C(3) C(4) O(2) C(5) 164(1) 1_555 1_555 1_555 1_555 yes C(3) C(4) O(2) C(6) 167(2) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(5) C(6) -24(2) 1_555 1_555 1_555 1_555 yes C(4) O(1) Ag(1) C(9) -130.7(3) 1_555 1_555 1_555 1_555 yes C(4) O(1) Ag(1) C(15) 80.1(3) 1_555 1_555 1_555 3_665 yes C(4) O(1) O(2) C(5) 130(4) 1_555 1_555 1_555 1_555 yes C(4) O(1) O(2) C(6) 169(1) 1_555 1_555 1_555 1_555 yes C(4) O(1) N(1) C(9) -41.0(6) 1_555 1_555 1_555 1_555 yes C(4) O(1) N(1) C(10) -77.4(6) 1_555 1_555 1_555 1_555 yes C(4) O(1) N(1) C(11) 108.0(7) 1_555 1_555 1_555 1_555 yes C(4) O(1) N(1) C(12) 97.4(5) 1_555 1_555 1_555 1_555 yes C(4) O(1) C(1) C(10) -19(2) 1_555 1_555 1_555 1_555 yes C(4) O(1) C(1) C(11) 42(2) 1_555 1_555 1_555 1_555 yes C(4) O(1) C(1) C(12) 69(2) 1_555 1_555 1_555 1_555 yes C(4) O(1) C(2) C(10) 115.8(6) 1_555 1_555 1_555 1_555 yes C(4) O(2) Ag(1) C(9) 118.0(8) 1_555 1_555 1_555 1_555 yes C(4) O(2) Ag(1) C(15) -45.7(8) 1_555 1_555 1_555 3_665 yes C(4) O(2) O(3) C(5) -130(3) 1_555 1_555 1_555 1_555 yes C(4) O(2) O(3) C(6) -142(3) 1_555 1_555 1_555 1_555 yes C(4) O(2) O(3) C(7) 116(3) 1_555 1_555 1_555 1_555 yes C(4) O(2) O(3) C(8) 74(3) 1_555 1_555 1_555 1_555 yes C(4) O(2) C(5) C(6) 177(1) 1_555 1_555 1_555 1_555 yes C(4) O(2) C(6) C(5) -5(2) 1_555 1_555 1_555 1_555 yes C(4) O(2) C(6) C(7) -176(2) 1_555 1_555 1_555 1_555 yes C(4) C(3) O(2) C(5) -49(3) 1_555 1_555 1_555 1_555 yes C(4) C(3) O(2) C(6) -165(1) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(2) C(10) -43(1) 1_555 1_555 1_555 1_555 yes C(4) C(5) O(2) C(6) -177(1) 1_555 1_555 1_555 1_555 yes C(4) C(5) O(3) C(6) 168(1) 1_555 1_555 1_555 1_555 yes C(4) C(5) O(3) C(7) 91.7(7) 1_555 1_555 1_555 1_555 yes C(4) C(5) O(3) C(8) 45.1(9) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(6) C(7) 13(2) 1_555 1_555 1_555 1_555 yes C(5) O(2) Ag(1) C(9) -96.1(10) 1_555 1_555 1_555 1_555 yes C(5) O(2) Ag(1) C(15) 100.2(10) 1_555 1_555 1_555 3_665 yes C(5) O(2) O(3) C(6) -12.4(9) 1_555 1_555 1_555 1_555 yes C(5) O(2) O(3) C(7) -113.1(9) 1_555 1_555 1_555 1_555 yes C(5) O(2) O(3) C(8) -155.7(8) 1_555 1_555 1_555 1_555 yes C(5) O(2) C(6) C(7) -171(1) 1_555 1_555 1_555 1_555 yes C(5) O(3) Ag(1) C(9) 139.1(3) 1_555 1_555 1_555 1_555 yes C(5) O(3) Ag(1) C(15) -50.1(3) 1_555 1_555 1_555 3_665 yes C(5) O(3) O(2) C(6) 12.4(9) 1_555 1_555 1_555 1_555 yes C(5) O(3) O(4) C(7) 116.9(5) 1_555 1_555 1_555 1_555 yes C(5) O(3) O(4) C(8) 154.7(5) 1_555 1_555 1_555 1_555 yes C(5) O(3) O(4) C(9) -129.1(9) 1_555 1_555 1_555 1_555 yes C(5) O(3) O(4) C(10) -44.2(6) 1_555 1_555 1_555 1_555 yes C(5) O(3) C(6) C(7) -121.3(9) 1_555 1_555 1_555 1_555 yes C(5) O(3) C(7) C(6) 35.6(5) 1_555 1_555 1_555 1_555 yes C(5) O(3) C(7) C(8) -135.0(5) 1_555 1_555 1_555 1_555 yes C(5) O(3) C(8) C(7) 79.4(8) 1_555 1_555 1_555 1_555 yes C(5) O(3) C(8) C(9) -56.1(8) 1_555 1_555 1_555 1_555 yes C(5) C(4) O(2) C(6) 3(1) 1_555 1_555 1_555 1_555 yes C(5) C(6) O(3) C(7) 121.3(9) 1_555 1_555 1_555 1_555 yes C(5) C(6) O(3) C(8) 110(1) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(7) C(8) -61(1) 1_555 1_555 1_555 1_555 yes C(6) O(2) Ag(1) C(9) -77.1(5) 1_555 1_555 1_555 1_555 yes C(6) O(2) Ag(1) C(15) 119.2(4) 1_555 1_555 1_555 3_665 yes C(6) O(2) O(3) C(7) -100.7(8) 1_555 1_555 1_555 1_555 yes C(6) O(2) O(3) C(8) -143.3(7) 1_555 1_555 1_555 1_555 yes C(6) O(3) Ag(1) C(9) 144.9(6) 1_555 1_555 1_555 1_555 yes C(6) O(3) Ag(1) C(15) -44.3(7) 1_555 1_555 1_555 3_665 yes C(6) O(3) O(4) C(7) 86.1(9) 1_555 1_555 1_555 1_555 yes C(6) O(3) O(4) C(8) 123.8(9) 1_555 1_555 1_555 1_555 yes C(6) O(3) O(4) C(9) -159(1) 1_555 1_555 1_555 1_555 yes C(6) O(3) O(4) C(10) -75.1(10) 1_555 1_555 1_555 1_555 yes C(6) O(3) C(7) C(8) -170.7(6) 1_555 1_555 1_555 1_555 yes C(6) O(3) C(8) C(7) 16.7(10) 1_555 1_555 1_555 1_555 yes C(6) O(3) C(8) C(9) -118.8(9) 1_555 1_555 1_555 1_555 yes C(6) C(5) O(3) C(7) -76(1) 1_555 1_555 1_555 1_555 yes C(6) C(5) O(3) C(8) -123(1) 1_555 1_555 1_555 1_555 yes C(6) C(7) O(3) C(8) 170.7(6) 1_555 1_555 1_555 1_555 yes C(6) C(7) O(4) C(8) -144.9(7) 1_555 1_555 1_555 1_555 yes C(6) C(7) O(4) C(9) -155.5(8) 1_555 1_555 1_555 1_555 yes C(6) C(7) O(4) C(10) 61(1) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(9) 61(1) 1_555 1_555 1_555 1_555 yes C(7) O(3) Ag(1) C(9) 11.4(4) 1_555 1_555 1_555 1_555 yes C(7) O(3) Ag(1) C(15) -177.8(4) 1_555 1_555 1_555 3_665 yes C(7) O(3) O(4) C(8) 37.7(5) 1_555 1_555 1_555 1_555 yes C(7) O(3) O(4) C(9) 114.0(9) 1_555 1_555 1_555 1_555 yes C(7) O(3) O(4) C(10) -161.2(6) 1_555 1_555 1_555 1_555 yes C(7) O(3) C(8) C(9) -135.5(7) 1_555 1_555 1_555 1_555 yes C(7) O(4) Ag(1) C(9) -158.5(4) 1_555 1_555 1_555 1_555 yes C(7) O(4) Ag(1) C(15) 173(1) 1_555 1_555 1_555 3_665 yes C(7) O(4) O(3) C(8) -37.7(5) 1_555 1_555 1_555 1_555 yes C(7) O(4) N(1) C(9) -161.3(6) 1_555 1_555 1_555 1_555 yes C(7) O(4) N(1) C(10) 161.0(6) 1_555 1_555 1_555 1_555 yes C(7) O(4) N(1) C(11) -112.8(5) 1_555 1_555 1_555 1_555 yes C(7) O(4) N(1) C(12) -70.9(6) 1_555 1_555 1_555 1_555 yes C(7) O(4) C(8) C(9) -174.4(5) 1_555 1_555 1_555 1_555 yes C(7) O(4) C(9) C(8) 7.0(6) 1_555 1_555 1_555 1_555 yes C(7) O(4) C(9) C(10) -170.1(6) 1_555 1_555 1_555 1_555 yes C(7) O(4) C(10) C(9) 151(1) 1_555 1_555 1_555 1_555 yes C(7) O(4) C(10) C(11) -121(1) 1_555 1_555 1_555 1_555 yes C(7) C(6) O(3) C(8) -10.8(6) 1_555 1_555 1_555 1_555 yes C(7) C(8) O(4) C(9) 174.4(5) 1_555 1_555 1_555 1_555 yes C(7) C(8) O(4) C(10) 170.6(6) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(9) C(10) -4(1) 1_555 1_555 1_555 1_555 yes C(8) O(3) Ag(1) C(9) -8.2(2) 1_555 1_555 1_555 1_555 yes C(8) O(3) Ag(1) C(15) 162.6(2) 1_555 1_555 1_555 3_665 yes C(8) O(3) O(4) C(9) 76.3(9) 1_555 1_555 1_555 1_555 yes C(8) O(3) O(4) C(10) 161.1(6) 1_555 1_555 1_555 1_555 yes C(8) O(4) Ag(1) C(9) -125.4(6) 1_555 1_555 1_555 1_555 yes C(8) O(4) Ag(1) C(15) -153(1) 1_555 1_555 1_555 3_665 yes C(8) O(4) N(1) C(9) -79.6(9) 1_555 1_555 1_555 1_555 yes C(8) O(4) N(1) C(10) -117.3(10) 1_555 1_555 1_555 1_555 yes C(8) O(4) N(1) C(11) -31(1) 1_555 1_555 1_555 1_555 yes C(8) O(4) N(1) C(12) 10.8(10) 1_555 1_555 1_555 1_555 yes C(8) O(4) C(9) C(10) -177.1(4) 1_555 1_555 1_555 1_555 yes C(8) O(4) C(10) C(9) 5.6(8) 1_555 1_555 1_555 1_555 yes C(8) O(4) C(10) C(11) 93.1(8) 1_555 1_555 1_555 1_555 yes C(8) C(7) O(4) C(9) -10.6(9) 1_555 1_555 1_555 1_555 yes C(8) C(7) O(4) C(10) -153(1) 1_555 1_555 1_555 1_555 yes C(8) C(9) Ag(1) C(15) -155.7(3) 1_555 1_555 1_555 3_665 yes C(8) C(9) O(4) C(10) 177.1(4) 1_555 1_555 1_555 1_555 yes C(8) C(9) N(1) C(10) 134.7(7) 1_555 1_555 1_555 1_555 yes C(8) C(9) N(1) C(11) -124.0(4) 1_555 1_555 1_555 1_555 yes C(8) C(9) N(1) C(12) -94.6(4) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(10) C(11) -108.7(6) 1_555 1_555 1_555 1_555 yes C(9) Ag(1) O(4) C(10) 31.4(3) 1_555 1_555 1_555 1_555 yes C(9) Ag(1) N(1) C(10) -19.2(3) 1_555 1_555 1_555 1_555 yes C(9) Ag(1) N(1) C(11) 99.8(4) 1_555 1_555 1_555 1_555 yes C(9) Ag(1) N(1) C(12) 124.1(3) 1_555 1_555 1_555 1_555 yes C(9) Ag(1) N(2) C(14) 67.4(6) 1_555 1_555 3_665 3_665 yes C(9) Ag(1) N(2) C(15) -103.2(5) 1_555 1_555 3_665 3_665 yes C(9) Ag(1) C(15) C(16) 91(1) 1_555 1_555 3_665 3_665 yes C(9) O(4) Ag(1) C(15) -28(1) 1_555 1_555 1_555 3_665 yes C(9) O(4) N(1) C(10) -37.8(5) 1_555 1_555 1_555 1_555 yes C(9) O(4) N(1) C(11) 48.5(5) 1_555 1_555 1_555 1_555 yes C(9) O(4) N(1) C(12) 90.4(4) 1_555 1_555 1_555 1_555 yes C(9) O(4) C(10) C(11) 87.5(5) 1_555 1_555 1_555 1_555 yes C(9) N(1) Ag(1) C(15) -163.4(2) 1_555 1_555 1_555 3_665 yes C(9) N(1) O(4) C(10) 37.8(5) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(1) C(10) 23.1(4) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(1) C(11) 141.6(7) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(1) C(12) 173.4(6) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(2) C(10) 31.4(3) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(10) C(11) 88.5(6) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(11) C(10) -34.7(3) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(11) C(12) 131.7(4) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(11) C(13) 161.1(3) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(11) C(16) 100.9(3) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(12) C(11) -60.6(5) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(12) C(13) -168.8(4) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(12) C(14) 162.3(4) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(12) C(15) 72.1(5) 1_555 1_555 1_555 1_555 yes C(9) N(1) C(12) C(16) 47.6(5) 1_555 1_555 1_555 1_555 yes C(9) C(8) O(4) C(10) -3.7(6) 1_555 1_555 1_555 1_555 yes C(9) C(10) N(1) C(11) -88.5(6) 1_555 1_555 1_555 1_555 yes C(9) C(10) N(1) C(12) -77.1(7) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(1) C(11) -80.5(7) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(1) C(12) -67.6(7) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(11) C(12) 81.6(9) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(11) C(13) 132.1(6) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(11) C(16) 42.9(6) 1_555 1_555 1_555 1_555 yes C(10) O(4) Ag(1) C(15) 3(1) 1_555 1_555 1_555 3_665 yes C(10) O(4) N(1) C(11) 86.2(5) 1_555 1_555 1_555 1_555 yes C(10) O(4) N(1) C(12) 128.1(5) 1_555 1_555 1_555 1_555 yes C(10) N(1) Ag(1) C(15) 177.4(3) 1_555 1_555 1_555 3_665 yes C(10) N(1) C(1) C(11) 118.4(5) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(1) C(12) 150.3(5) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(11) C(12) 166.4(5) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(11) C(13) -164.2(4) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(11) C(16) 135.6(4) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(12) C(11) -20.2(7) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(12) C(13) -128.4(6) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(12) C(14) -157.2(6) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(12) C(15) 112.5(6) 1_555 1_555 1_555 1_555 yes C(10) N(1) C(12) C(16) 88.0(7) 1_555 1_555 1_555 1_555 yes C(10) C(1) N(1) C(11) -118.4(5) 1_555 1_555 1_555 1_555 yes C(10) C(1) N(1) C(12) -150.3(5) 1_555 1_555 1_555 1_555 yes C(10) C(1) C(11) C(12) 152.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(1) C(11) C(13) 175.3(3) 1_555 1_555 1_555 1_555 yes C(10) C(1) C(11) C(16) 126.4(3) 1_555 1_555 1_555 1_555 yes C(10) C(1) C(12) C(11) -23.4(4) 1_555 1_555 1_555 1_555 yes C(10) C(1) C(12) C(13) -158.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(1) C(12) C(14) -179.5(3) 1_555 1_555 1_555 1_555 yes C(10) C(1) C(12) C(15) 116.8(4) 1_555 1_555 1_555 1_555 yes C(10) C(1) C(12) C(16) 73.8(5) 1_555 1_555 1_555 1_555 yes C(10) C(2) N(1) C(11) -132.8(7) 1_555 1_555 1_555 1_555 yes C(10) C(2) N(1) C(12) -167.0(5) 1_555 1_555 1_555 1_555 yes C(10) C(2) C(1) C(11) 46.6(8) 1_555 1_555 1_555 1_555 yes C(10) C(2) C(1) C(12) 96.7(7) 1_555 1_555 1_555 1_555 yes C(10) C(9) Ag(1) C(15) 52.2(5) 1_555 1_555 1_555 3_665 yes C(10) C(9) N(1) C(11) 101.2(6) 1_555 1_555 1_555 1_555 yes C(10) C(9) N(1) C(12) 130.7(6) 1_555 1_555 1_555 1_555 yes C(10) C(11) N(1) C(12) -166.4(5) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(1) C(12) -152.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(13) 107.2(8) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(14) 106.9(10) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(15) -76(1) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(16) -74.1(9) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(13) C(12) -115.8(7) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(13) C(14) -115.3(9) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(13) C(15) -117.3(5) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(13) C(16) -116.6(5) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(16) C(12) 136.3(6) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(16) C(13) 137.0(4) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(16) C(14) 136.7(4) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(16) C(15) 139.9(8) 1_555 1_555 1_555 1_555 yes C(11) N(1) Ag(1) C(15) -63.7(3) 1_555 1_555 1_555 3_665 yes C(11) N(1) C(1) C(12) 31.9(3) 1_555 1_555 1_555 1_555 yes C(11) N(1) C(12) C(13) -108.2(6) 1_555 1_555 1_555 1_555 yes C(11) N(1) C(12) C(14) -137.1(7) 1_555 1_555 1_555 1_555 yes C(11) N(1) C(12) C(15) 132.7(6) 1_555 1_555 1_555 1_555 yes C(11) N(1) C(12) C(16) 108.2(6) 1_555 1_555 1_555 1_555 yes C(11) C(1) N(1) C(12) -31.9(3) 1_555 1_555 1_555 1_555 yes C(11) C(1) C(12) C(13) -135.1(5) 1_555 1_555 1_555 1_555 yes C(11) C(1) C(12) C(14) -156.1(5) 1_555 1_555 1_555 1_555 yes C(11) C(1) C(12) C(15) 140.2(6) 1_555 1_555 1_555 1_555 yes C(11) C(1) C(12) C(16) 97.2(6) 1_555 1_555 1_555 1_555 yes C(11) C(10) N(1) C(12) 11.5(4) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(1) C(12) 12.9(2) 1_555 1_555 1_555 1_555 yes C(11) C(12) N(2) C(13) -160(10) 1_555 1_555 1_555 1_555 yes C(11) C(12) N(2) C(14) -161(10) 1_555 1_555 1_555 1_555 yes C(11) C(12) N(2) C(15) 17(10) 1_555 1_555 1_555 1_555 yes C(11) C(12) N(2) C(16) 18(10) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(14) -179.7(5) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(15) 178.3(5) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(16) 178.7(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(14) C(13) 0.5(9) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(14) C(15) 178.2(9) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(14) C(16) 179.1(10) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(15) C(13) -177.2(9) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(15) C(14) -178.4(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(15) C(16) 3.5(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(16) C(13) -178.7(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(16) C(14) -179.5(5) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(16) C(15) -178.0(5) 1_555 1_555 1_555 1_555 yes C(11) C(13) N(2) C(12) 0.4(2) 1_555 1_555 1_555 1_555 yes C(11) C(13) N(2) C(14) 178.5(7) 1_555 1_555 1_555 1_555 yes C(11) C(13) N(2) C(15) -1.3(4) 1_555 1_555 1_555 1_555 yes C(11) C(13) N(2) C(16) 0.1(3) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(12) C(14) 179.7(5) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(12) C(15) -178.3(5) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(12) C(16) -178.7(8) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(14) C(12) -0.3(5) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(14) C(15) -2.4(9) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(14) C(16) -1.1(7) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(15) C(12) 0.8(3) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(15) C(14) 178.8(5) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(15) C(16) 1.2(3) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(16) C(12) 0.7(4) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(16) C(14) 179.3(4) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(16) C(15) -178.6(4) 1_555 1_555 1_555 1_555 yes C(11) C(16) N(2) C(12) -0.4(2) 1_555 1_555 1_555 1_555 yes C(11) C(16) N(2) C(13) -0.1(3) 1_555 1_555 1_555 1_555 yes C(11) C(16) N(2) C(14) -0.9(4) 1_555 1_555 1_555 1_555 yes C(11) C(16) N(2) C(15) 177.2(6) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(12) C(13) 178.7(8) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(12) C(14) 179.5(5) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(12) C(15) 178.0(5) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(13) C(12) -0.7(4) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(13) C(14) -179.3(4) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(13) C(15) 178.6(4) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(14) C(12) -0.2(3) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(14) C(13) 0.6(4) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(14) C(15) 178.2(4) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(15) C(12) -2.2(5) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(15) C(13) -2.6(7) 1_555 1_555 1_555 1_555 yes C(11) C(16) C(15) C(14) -3.8(8) 1_555 1_555 1_555 1_555 yes C(12) N(1) Ag(1) C(15) -39.3(2) 1_555 1_555 1_555 3_665 yes C(12) N(1) C(11) C(13) 29.4(3) 1_555 1_555 1_555 1_555 yes C(12) N(1) C(11) C(16) -30.8(3) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(13) C(14) -178.1(7) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(13) C(15) 1.7(4) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(13) C(16) 0.3(3) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(14) C(13) 1.1(4) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(14) C(15) 0.9(5) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(14) C(16) -0.2(2) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(15) C(13) -1.0(2) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(15) C(14) -0.9(5) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(15) C(16) 1.4(4) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(16) C(13) -0.4(3) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(16) C(14) 0.4(4) 1_555 1_555 1_555 1_555 yes C(12) N(2) C(16) C(15) -177.6(7) 1_555 1_555 1_555 1_555 yes C(12) C(1) C(11) C(13) 22.8(3) 1_555 1_555 1_555 1_555 yes C(12) C(1) C(11) C(16) -26.1(3) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(13) C(14) 0.5(8) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(13) C(15) -1.5(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(13) C(16) -0.8(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(16) C(13) 0.8(4) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(16) C(14) 0.4(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(16) C(15) 3.6(8) 1_555 1_555 1_555 1_555 yes C(12) C(13) N(2) C(14) 178.1(7) 1_555 1_555 1_555 1_555 yes C(12) C(13) N(2) C(15) -1.7(4) 1_555 1_555 1_555 1_555 yes C(12) C(13) N(2) C(16) -0.3(3) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(11) C(16) 0.8(5) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(14) C(15) -2.1(6) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(14) C(16) -0.8(4) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(15) C(14) 177.9(5) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(15) C(16) 0.4(4) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(16) C(14) 178.6(7) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(16) C(15) -179.4(6) 1_555 1_555 1_555 1_555 yes C(12) C(14) N(2) C(13) -1.1(4) 1_555 1_555 1_555 1_555 yes C(12) C(14) N(2) C(15) -0.9(5) 1_555 1_555 1_555 1_555 yes C(12) C(14) N(2) C(16) 0.2(2) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(13) C(15) 2.1(6) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(13) C(16) 0.8(4) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(15) C(13) -1.2(3) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(15) C(16) 0.9(3) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(16) C(13) -0.8(4) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(16) C(15) -178.4(5) 1_555 1_555 1_555 1_555 yes C(12) C(15) N(2) C(13) 1.0(2) 1_555 1_555 1_555 1_555 yes C(12) C(15) N(2) C(14) 0.9(5) 1_555 1_555 1_555 1_555 yes C(12) C(15) N(2) C(16) -1.4(4) 1_555 1_555 1_555 1_555 yes C(12) C(15) C(13) C(14) -177.9(5) 1_555 1_555 1_555 1_555 yes C(12) C(15) C(13) C(16) -0.4(4) 1_555 1_555 1_555 1_555 yes C(12) C(15) C(14) C(13) 1.2(3) 1_555 1_555 1_555 1_555 yes C(12) C(15) C(14) C(16) -0.9(3) 1_555 1_555 1_555 1_555 yes C(12) C(15) C(16) C(13) 0.4(4) 1_555 1_555 1_555 1_555 yes C(12) C(15) C(16) C(14) 1.6(5) 1_555 1_555 1_555 1_555 yes C(12) C(16) N(2) C(13) 0.4(3) 1_555 1_555 1_555 1_555 yes C(12) C(16) N(2) C(14) -0.4(4) 1_555 1_555 1_555 1_555 yes C(12) C(16) N(2) C(15) 177.6(7) 1_555 1_555 1_555 1_555 yes C(12) C(16) C(11) C(13) -0.8(4) 1_555 1_555 1_555 1_555 yes C(12) C(16) C(13) C(14) -178.6(7) 1_555 1_555 1_555 1_555 yes C(12) C(16) C(13) C(15) 179.4(6) 1_555 1_555 1_555 1_555 yes C(12) C(16) C(14) C(13) 0.8(4) 1_555 1_555 1_555 1_555 yes C(12) C(16) C(14) C(15) 178.4(5) 1_555 1_555 1_555 1_555 yes C(12) C(16) C(15) C(13) -0.4(4) 1_555 1_555 1_555 1_555 yes C(12) C(16) C(15) C(14) -1.6(5) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(12) C(14) 1.1(4) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(12) C(15) -178.0(5) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(12) C(16) -179.4(5) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(14) C(15) -0.3(8) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(14) C(16) -1.4(6) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(15) C(14) 0.1(4) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(15) C(16) 2.4(5) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(16) C(14) 0.8(3) 1_555 1_555 1_555 1_555 yes C(13) N(2) C(16) C(15) -177.2(6) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(12) C(14) -0.3(6) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(12) C(15) 176(1) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(12) C(16) 178.6(8) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(16) C(14) -0.3(2) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(16) C(15) 2.9(8) 1_555 1_555 1_555 1_555 yes C(13) C(12) N(2) C(14) -1.1(4) 1_555 1_555 1_555 1_555 yes C(13) C(12) N(2) C(15) 178.0(5) 1_555 1_555 1_555 1_555 yes C(13) C(12) N(2) C(16) 179.4(5) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(11) C(16) -178.6(8) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(14) C(15) 177.6(6) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(14) C(16) 178.6(7) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(15) C(14) -1.2(3) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(15) C(16) -179.3(6) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(16) C(14) -0.8(4) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(16) C(15) 0.7(7) 1_555 1_555 1_555 1_555 yes C(13) C(14) N(2) C(15) 0.3(8) 1_555 1_555 1_555 1_555 yes C(13) C(14) N(2) C(16) 1.4(6) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(12) C(15) -177.6(6) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(12) C(16) -178.6(7) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(15) C(16) 2.1(5) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(16) C(15) -177.6(5) 1_555 1_555 1_555 1_555 yes C(13) C(15) N(2) C(14) -0.1(4) 1_555 1_555 1_555 1_555 yes C(13) C(15) N(2) C(16) -2.4(5) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(12) C(14) 1.2(3) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(12) C(16) 179.3(6) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(14) C(16) -2.1(5) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(16) C(14) 1.2(3) 1_555 1_555 1_555 1_555 yes C(13) C(16) N(2) C(14) -0.8(3) 1_555 1_555 1_555 1_555 yes C(13) C(16) N(2) C(15) 177.2(6) 1_555 1_555 1_555 1_555 yes C(13) C(16) C(12) C(14) 0.8(4) 1_555 1_555 1_555 1_555 yes C(13) C(16) C(12) C(15) -0.7(7) 1_555 1_555 1_555 1_555 yes C(13) C(16) C(14) C(15) 177.6(5) 1_555 1_555 1_555 1_555 yes C(13) C(16) C(15) C(14) -1.2(3) 1_555 1_555 1_555 1_555 yes C(14) N(2) C(12) C(15) -179.1(5) 1_555 1_555 1_555 1_555 yes C(14) N(2) C(12) C(16) 179.5(5) 1_555 1_555 1_555 1_555 yes C(14) N(2) C(13) C(15) 179.8(7) 1_555 1_555 1_555 1_555 yes C(14) N(2) C(13) C(16) 178.4(7) 1_555 1_555 1_555 1_555 yes C(14) N(2) C(15) C(16) 2.2(7) 1_555 1_555 1_555 1_555 yes C(14) N(2) C(16) C(15) -178.0(7) 1_555 1_555 1_555 1_555 yes C(14) C(12) N(2) C(15) 179.1(5) 1_555 1_555 1_555 1_555 yes C(14) C(12) N(2) C(16) -179.5(5) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(11) C(16) -178(1) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(13) C(15) -2.0(5) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(13) C(16) -1.6(7) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(15) C(16) -178.1(6) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(16) C(15) 1.5(5) 1_555 1_555 1_555 1_555 yes C(14) C(13) N(2) C(15) -179.8(7) 1_555 1_555 1_555 1_555 yes C(14) C(13) N(2) C(16) -178.4(7) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(11) C(16) 1.3(8) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(12) C(15) 2.0(5) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(12) C(16) 1.6(7) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(15) C(16) -177.6(5) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(16) C(15) 2.0(4) 1_555 1_555 1_555 1_555 yes C(14) C(15) N(2) C(16) -2.2(7) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(12) C(16) 178.1(6) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(13) C(16) 177.6(5) 1_555 1_555 1_555 1_555 yes C(14) C(16) N(2) C(15) 178.0(7) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(12) C(15) -1.5(5) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(13) C(15) -2.0(4) 1_555 1_555 1_555 1_555 yes C(15) Ag(1) N(2) C(16) -9.1(3) 1_555 3_665 1_555 1_555 yes C(15) N(2) C(12) C(16) -1.4(4) 1_555 1_555 1_555 1_555 yes C(15) N(2) C(13) C(16) -1.4(3) 1_555 1_555 1_555 1_555 yes C(15) N(2) C(14) C(16) -1.1(4) 1_555 1_555 1_555 1_555 yes C(15) C(12) N(2) C(16) 1.4(4) 1_555 1_555 1_555 1_555 yes C(15) C(12) C(11) C(16) -2.0(5) 1_555 1_555 1_555 1_555 yes C(15) C(12) C(13) C(16) 0.4(4) 1_555 1_555 1_555 1_555 yes C(15) C(12) C(14) C(16) 0.9(3) 1_555 1_555 1_555 1_555 yes C(15) C(13) N(2) C(16) 1.4(3) 1_555 1_555 1_555 1_555 yes C(15) C(13) C(11) C(16) -0.7(2) 1_555 1_555 1_555 1_555 yes C(15) C(13) C(12) C(16) -0.4(4) 1_555 1_555 1_555 1_555 yes C(15) C(13) C(14) C(16) 1.2(3) 1_555 1_555 1_555 1_555 yes C(15) C(14) N(2) C(16) 1.1(4) 1_555 1_555 1_555 1_555 yes C(15) C(14) C(12) C(16) -0.9(3) 1_555 1_555 1_555 1_555 yes C(15) C(14) C(13) C(16) -1.2(3) 1_555 1_555 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag Ag(1) O(1) 2.623(4) . . ? Ag(1) O(2) 2.975(6) . . ? Ag(1) O(3) 2.797(4) . . ? Ag(1) O(7) 3.098(5) . 4_554 ? Ag(1) N(1) 2.507(4) . . ? Ag(1) C(9) 3.134(6) . . ? Ag(1) C(15) 3.063(5) . 3_665 ? S(1) F(1) 2.587(5) . . ? S(1) F(2) 2.594(6) . . ? S(1) F(3) 2.616(4) . . ? F(1) F(3) 2.976(7) . 3_656 ? F(1) O(5) 2.891(6) . . ? F(1) O(6) 3.030(10) . . ? F(2) O(5) 3.003(7) . . ? F(2) O(7) 2.818(8) . . ? F(3) O(6) 2.891(7) . . ? F(3) O(7) 2.973(6) . . ? O(1) O(2) 2.756(8) . . ? O(1) N(1) 2.967(6) . . ? O(2) O(3) 2.737(8) . . ? O(3) O(4) 2.792(6) . . ? O(4) N(1) 2.926(6) . . ? O(5) C(17) 2.560(8) . . ? O(7) C(17) 2.514(9) . . ? N(1) C(2) 2.527(8) . . ? N(1) C(12) 2.502(6) . . ? N(2) C(12) 2.805(6) . . ? C(1) C(12) 3.056(8) . . ? C(2) C(10) 3.115(10) . . ? C(11) C(13) 2.549(7) . . ? C(13) C(15) 2.708(7) . . ? C(14) C(16) 2.694(7) . . ? Ag(1) O(7) 3.098(5) . 4_554 ? F(1) F(3) 2.976(7) . 3_656 ? F(1) F(1) 3.32(1) . 3_656 ? F(1) C(4) 3.453(10) . 4_555 ? F(1) C(3) 3.53(1) . 4_555 ? F(2) C(10) 3.454(10) . 3_666 ? F(2) C(1) 3.557(9) . 3_666 ? F(3) C(15) 3.227(7) . 4_455 ? F(3) C(16) 3.251(7) . 4_455 ? O(3) C(12) 3.505(7) . 2_645 ? O(5) C(13) 3.494(6) . 3_666 ? O(5) C(9) 3.495(7) . 2_646 ? O(5) C(1) 3.514(8) . 3_666 ? O(5) C(3) 3.518(9) . 4_555 ? O(5) C(4) 3.561(8) . 4_555 ? O(6) C(6) 3.47(1) . 3_656 ? O(7) C(14) 3.391(8) . 2_545 ? O(7) C(16) 3.412(7) . 4_455 ? O(7) N(2) 3.527(7) . 2_545 ? O(7) C(8) 3.577(8) . 4_455 ? #------------------------------------------------------------------------------ #------------------------------------------------------------------------------ data_haba077_MeOCC-4Py-Ag _database_code_CSD 154474 #------------------------------------------------------------------------------ # CHEMICAL DATA _chemical_formula_sum 'C13 H22 Ag F3 N2 O5 S ' _chemical_formula_moiety '?' _chemical_formula_weight 483.25 _chemical_melting_point ? #------------------------------------------------------------------------------ # CRYSTAL DATA _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21/n 21/m 21/a' _symmetry_Int_Tables_number 62 loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2-z' '-x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2+y,1/2+z' 'x,1/2-y,z' '1/2+x,y,1/2-z' _cell_length_a 9.50(1) _cell_length_b 10.901(10) _cell_length_c 17.79(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1842(4) _cell_formula_units_Z 4 _cell_measurement_reflns_used 10 _cell_measurement_theta_min 12.1 _cell_measurement_theta_max 12.4 _cell_measurement_temperature 296.2 #------------------------------------------------------------------------------ _exptl_crystal_description 'prismatic' _exptl_crystal_colour 'brown' _exptl_crystal_size_max 0.620 _exptl_crystal_size_mid 0.120 _exptl_crystal_size_min 0.120 _exptl_crystal_size_rad ? _exptl_crystal_density_diffrn 1.742 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_absorpt_coefficient_mu 1.259 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_process_details '(North, Phillips & Mathews, 1968)' _exptl_absorpt_correction_T_min 0.899 _exptl_absorpt_correction_T_max 1.000 #------------------------------------------------------------------------------ # EXPERIMENTAL DATA _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_measurement_device_type 'Rigaku AFC5S' _diffrn_measurement_method \w-2\q _diffrn_reflns_number 2184 _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_theta_max 27.51 _diffrn_measured_fraction_theta_max 0.8918 _diffrn_reflns_theta_full 27.51 _diffrn_measured_fraction_theta_full 0.8918 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 0 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 21 _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 0.42 #------------------------------------------------------------------------------ # REFINEMENT DATA _refine_special_details ; Refinement using reflections with F^2^ > -10.0 sigma(F^2^). The weighted R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are based on F. The threshold expression of F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt). ; _reflns_number_total 1987 _reflns_number_gt 762 _reflns_threshold_expression F^2^>2.0\s(F^2^) _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_gt 0.0649 _refine_ls_wR_factor_ref 0.1785 _refine_ls_hydrogen_treatment noref _refine_ls_number_reflns 1985 _refine_ls_number_parameters 127 _refine_ls_goodness_of_fit_ref 1.123 _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^) + (0.05300(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]' _refine_ls_shift/su_max 0.0003 _refine_diff_density_max 1.81 _refine_diff_density_min -2.60 _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; 'N' 'N' 0.006 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'F' 'F' 0.017 0.010 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'S' 'S' 0.125 0.123 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'Ag' 'Ag' -0.897 1.101 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #------------------------------------------------------------------------------ # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS 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 Ag(1) Ag 0.7287(1) 0.2500 0.10510(8) 0.0620(4) Uani 1.00 d S . . S(1) S 0.3065(4) -0.2500 0.0821(3) 0.068(2) Uani 1.00 d S . . F(1) F 0.036(1) -0.2500 0.0838(10) 0.211(9) Uani 1.00 d S . . F(2) F 0.122(1) -0.154(1) 0.1720(6) 0.171(5) Uani 1.00 d . . . O(1) O 0.6820(10) 0.0390(9) 0.1727(6) 0.106(4) Uani 1.00 d . . . O(2) O 0.3017(9) -0.3598(7) 0.0385(5) 0.101(3) Uani 1.00 d . . . O(3) O 0.404(1) -0.2500 0.1451(10) 0.138(7) Uani 1.00 d S . . N(1) N 0.495(1) 0.2500 0.1358(9) 0.061(5) Uani 1.00 d S . . N(2) N -0.041(1) 0.2500 0.0951(8) 0.064(4) Uani 1.00 d S . . C(1) C 0.467(1) 0.143(2) 0.1850(10) 0.165(8) Uani 1.00 d . . . C(2) C 0.534(3) 0.043(1) 0.183(2) 0.26(1) Uani 1.00 d . . . C(3) C 0.721(2) -0.071(1) 0.141(1) 0.139(7) Uani 1.00 d . . . C(4) C 0.408(2) 0.2500 0.0702(9) 0.052(5) Uani 1.00 d S . . C(5) C 0.250(1) 0.2500 0.0756(7) 0.040(4) Uani 1.00 d S . . C(6) C 0.1753(10) 0.356(1) 0.0777(6) 0.066(4) Uani 1.00 d . . . C(7) C 0.0314(9) 0.353(1) 0.0880(8) 0.081(4) Uani 1.00 d . . . C(8) C 0.143(3) -0.2500 0.125(2) 0.107(10) Uani 1.00 d S . . H(1) H 0.4382 0.1522 0.2303 0.2316 Uiso 1.00 calc . . . H(2) H 0.3927 0.0896 0.1558 0.2316 Uiso 1.00 calc . . . H(3) H 0.4997 -0.0349 0.1765 0.2284 Uiso 1.00 calc . . . H(4) H 0.5454 0.0278 0.2509 0.2284 Uiso 1.00 calc . . . H(5) H 0.6625 -0.1048 0.1080 0.1667 Uiso 1.00 calc . . . H(6) H 0.7120 -0.1383 0.1885 0.1667 Uiso 1.00 calc . . . H(7) H 0.8167 -0.0794 0.1321 0.1667 Uiso 1.00 calc . . . H(8) H 0.4378 0.3212 0.0405 0.0607 Uiso 1.00 calc . . . H(9) H 0.4378 0.1788 0.0405 0.0607 Uiso 1.00 calc . . . H(10) H 0.2260 0.4357 0.0733 0.0816 Uiso 1.00 calc . . . H(11) H -0.0224 0.4301 0.0877 0.0953 Uiso 1.00 calc . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag(1) 0.0287(5) 0.0594(8) 0.098(1) 0.0000 0.0075(7) 0.0000 S(1) 0.058(3) 0.053(3) 0.092(4) 0.0000 0.007(2) 0.0000 F(1) 0.075(9) 0.39(3) 0.17(2) 0.0000 0.006(9) 0.0000 F(2) 0.20(1) 0.141(9) 0.172(10) 0.022(8) 0.077(8) -0.026(9) O(1) 0.122(7) 0.067(7) 0.130(8) -0.014(6) -0.008(6) 0.024(6) O(2) 0.136(7) 0.035(4) 0.131(7) -0.004(5) 0.046(6) -0.016(5) O(3) 0.097(10) 0.15(1) 0.17(2) 0.0000 -0.06(1) 0.0000 N(1) 0.033(6) 0.065(9) 0.09(1) 0.0000 0.006(7) 0.0000 N(2) 0.039(7) 0.052(8) 0.10(1) 0.0000 0.017(7) 0.0000 C(1) 0.048(8) 0.30(3) 0.15(2) -0.02(1) 0.007(9) 0.12(2) C(2) 0.19(2) 0.06(1) 0.53(5) 0.00(1) 0.24(3) 0.04(2) C(3) 0.12(1) 0.049(9) 0.25(2) 0.003(9) 0.03(1) 0.00(1) C(4) 0.058(9) 0.020(8) 0.08(1) 0.0000 0.010(9) 0.0000 C(5) 0.027(8) 0.044(8) 0.049(9) 0.0000 0.008(6) 0.0000 C(6) 0.039(5) 0.052(7) 0.108(10) 0.000(5) 0.001(5) 0.010(7) C(7) 0.033(5) 0.062(8) 0.15(1) 0.005(5) 0.007(6) 0.002(9) C(8) 0.12(2) 0.07(2) 0.12(2) 0.0000 0.00(2) 0.0000 #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan Ver. 1.10' _computing_structure_solution SIR92 _computing_structure_refinement 'teXsan Ver. 1.10' _computing_publication_material 'teXsan Ver. 1.10' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag(1) O(1) 2.633(9) . . yes Ag(1) O(1) 2.633(9) . 7_555 yes Ag(1) N(1) 2.29(1) . . yes Ag(1) N(2) 2.20(1) . 1_655 yes S(1) F(1) 2.57(1) . . yes S(1) F(2) 2.595(10) . . yes S(1) F(2) 2.595(10) . 7_545 yes S(1) O(2) 1.427(8) . . yes S(1) O(2) 1.427(8) . 7_545 yes S(1) O(3) 1.45(1) . . yes S(1) C(8) 1.74(3) . . yes F(1) F(2) 2.06(2) . . yes F(1) F(2) 2.06(2) . 7_545 yes F(1) C(8) 1.25(3) . . yes F(2) F(2) 2.10(2) . 7_545 yes F(2) C(8) 1.35(2) . . yes F(2) H(4) 2.514 . 8_455 no F(2) H(6) 2.630 . 8_455 no O(1) C(1) 2.35(2) . . yes O(1) C(2) 1.42(2) . . yes O(1) C(3) 1.38(2) . . yes O(1) H(3) 1.911 . . no O(1) H(4) 1.907 . . no O(1) H(5) 1.954 . . no O(1) H(6) 1.974 . . no O(1) H(7) 1.956 . . no O(2) O(2) 2.39(1) . 7_545 yes O(2) O(3) 2.44(2) . . yes O(2) C(8) 2.47(2) . . yes O(2) H(10) 2.423 . 1_545 no O(3) C(8) 2.51(3) . . yes O(3) H(3) 2.577 . . no O(3) H(3) 2.577 . 7_545 no N(1) C(1) 1.49(2) . . yes N(1) C(1) 1.49(2) . 7_555 yes N(1) C(2) 2.44(2) . . yes N(1) C(2) 2.44(2) . 7_555 yes N(1) C(4) 1.43(2) . . yes N(1) C(5) 2.56(2) . . yes N(1) H(1) 2.061 . . no N(1) H(1) 2.061 . 7_555 no N(1) H(2) 2.030 . . no N(1) H(2) 2.030 . 7_555 no N(1) H(8) 1.940 . . no N(1) H(9) 1.940 . . no N(2) C(6) 2.38(1) . . yes N(2) C(6) 2.38(1) . 7_555 yes N(2) C(7) 1.32(1) . . yes N(2) C(7) 1.32(1) . 7_555 yes N(2) H(11) 1.975 . . no N(2) H(11) 1.975 . 7_555 no C(1) C(1) 2.34(5) . 7_555 yes C(1) C(2) 1.26(2) . . yes C(1) C(4) 2.42(2) . . yes C(1) H(1) 0.855 . . no C(1) H(1) 2.392 . 7_555 no C(1) H(2) 1.049 . . no C(1) H(3) 1.967 . . no C(1) H(4) 1.871 . . no C(1) H(9) 2.615 . . no C(2) C(3) 2.30(2) . . yes C(2) H(1) 1.715 . . no C(2) H(2) 1.515 . . no C(2) H(3) 0.915 . . no C(2) H(4) 1.219 . . no C(2) H(5) 2.425 . . no C(2) H(6) 2.603 . . no C(3) H(3) 2.232 . . no C(3) H(5) 0.892 . . no C(3) H(6) 1.122 . . no C(3) H(7) 0.924 . . no C(4) C(5) 1.51(2) . . yes C(4) C(6) 2.50(2) . . yes C(4) C(6) 2.50(2) . 7_555 yes C(4) H(2) 2.323 . . no C(4) H(2) 2.323 . 7_555 no C(4) H(8) 0.980 . . no C(4) H(9) 0.980 . . no C(4) H(10) 2.664 . . no C(4) H(10) 2.664 . 7_555 no C(5) C(6) 1.36(1) . . yes C(5) C(6) 1.36(1) . 7_555 yes C(5) C(7) 2.37(1) . . yes C(5) C(7) 2.37(1) . 7_555 yes C(5) H(2) 2.633 . . no C(5) H(2) 2.633 . 7_555 no C(5) H(8) 2.043 . . no C(5) H(9) 2.043 . . no C(5) H(10) 2.037 . . no C(5) H(10) 2.037 . 7_555 no C(6) C(6) 2.32(2) . 7_555 yes C(6) C(7) 1.38(1) . . yes C(6) C(7) 2.67(2) . 7_555 yes C(6) H(2) 2.558 . 7_555 no C(6) H(8) 2.607 . . no C(6) H(10) 0.993 . . no C(6) H(11) 2.051 . . no C(7) C(7) 2.25(2) . 7_555 yes C(7) H(10) 2.073 . . no C(7) H(11) 0.984 . . no #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O(1) Ag(1) O(1) 121.7(5) . 1_555 7_555 yes O(1) Ag(1) N(1) 74.2(3) . 1_555 1_555 yes O(1) Ag(1) N(2) 101.8(3) . 1_555 1_655 yes O(1) Ag(1) N(1) 74.2(3) . 7_555 1_555 yes O(1) Ag(1) N(2) 101.8(3) . 7_555 1_655 yes N(1) Ag(1) N(2) 170.9(6) . 1_555 1_655 yes F(1) S(1) F(2) 46.9(4) . 1_555 1_555 yes F(1) S(1) F(2) 46.9(4) . 1_555 7_545 yes F(1) S(1) O(2) 88.5(4) . 1_555 1_555 yes F(1) S(1) O(2) 88.5(4) . 1_555 7_545 yes F(1) S(1) O(3) 128.8(9) . 1_555 1_555 yes F(1) S(1) C(8) 25.6(9) . 1_555 1_555 yes F(2) S(1) F(2) 47.7(5) . 1_555 7_545 yes F(2) S(1) O(2) 130.7(5) . 1_555 1_555 yes F(2) S(1) O(2) 88.5(4) . 1_555 7_545 yes F(2) S(1) O(3) 87.4(8) . 1_555 1_555 yes F(2) S(1) C(8) 28.5(5) . 1_555 1_555 yes F(2) S(1) O(2) 88.5(4) . 7_545 1_555 yes F(2) S(1) O(2) 130.7(5) . 7_545 7_545 yes F(2) S(1) O(3) 87.4(8) . 7_545 1_555 yes F(2) S(1) C(8) 28.5(5) . 7_545 1_555 yes O(2) S(1) O(2) 114.0(8) . 1_555 7_545 yes O(2) S(1) O(3) 116.1(5) . 1_555 1_555 yes O(2) S(1) C(8) 102.3(6) . 1_555 1_555 yes O(2) S(1) O(3) 116.1(5) . 7_545 1_555 yes O(2) S(1) C(8) 102.3(6) . 7_545 1_555 yes O(3) S(1) C(8) 103(1) . 1_555 1_555 yes S(1) F(1) F(2) 67.2(5) . 1_555 1_555 yes S(1) F(1) F(2) 67.2(5) . 1_555 7_545 yes S(1) F(1) C(8) 36(1) . 1_555 1_555 yes F(2) F(1) F(2) 61.3(8) . 1_555 7_545 yes F(2) F(1) C(8) 39.6(9) . 1_555 1_555 yes F(2) F(1) C(8) 39.6(9) . 7_545 1_555 yes S(1) F(2) F(1) 65.9(5) . 1_555 1_555 yes S(1) F(2) F(2) 66.1(3) . 1_555 7_545 yes S(1) F(2) C(8) 37(1) . 1_555 1_555 yes S(1) F(2) H(4) 148.2 . 1_555 8_455 no S(1) F(2) H(6) 112.8 . 1_555 8_455 no F(1) F(2) F(2) 59.3(4) . 1_555 7_545 yes F(1) F(2) C(8) 36(1) . 1_555 1_555 yes F(1) F(2) H(4) 134.7 . 1_555 8_455 no F(1) F(2) H(6) 151.8 . 1_555 8_455 no F(2) F(2) C(8) 39(1) . 7_545 1_555 yes F(2) F(2) H(4) 141.9 . 7_545 8_455 no F(2) F(2) H(6) 93.7 . 7_545 8_455 no C(8) F(2) H(4) 170.8 . 1_555 8_455 no C(8) F(2) H(6) 125.5 . 1_555 8_455 no H(4) F(2) H(6) 61.9 . 8_455 8_455 no Ag(1) O(1) C(1) 76.7(5) . 1_555 1_555 yes Ag(1) O(1) C(2) 101.7(10) . 1_555 1_555 yes Ag(1) O(1) C(3) 121.9(10) . 1_555 1_555 yes Ag(1) O(1) H(3) 122.5 . 1_555 1_555 no Ag(1) O(1) H(4) 120.3 . 1_555 1_555 no Ag(1) O(1) H(5) 116.6 . 1_555 1_555 no Ag(1) O(1) H(6) 153.6 . 1_555 1_555 no Ag(1) O(1) H(7) 107.3 . 1_555 1_555 no C(1) O(1) C(2) 27.1(8) . 1_555 1_555 yes C(1) O(1) C(3) 133(1) . 1_555 1_555 yes C(1) O(1) H(3) 53.9 . 1_555 1_555 no C(1) O(1) H(4) 50.9 . 1_555 1_555 no C(1) O(1) H(5) 111.1 . 1_555 1_555 no C(1) O(1) H(6) 125.7 . 1_555 1_555 no C(1) O(1) H(7) 157.3 . 1_555 1_555 no C(2) O(1) C(3) 110(1) . 1_555 1_555 yes C(2) O(1) H(3) 27.1 . 1_555 1_555 no C(2) O(1) H(4) 39.7 . 1_555 1_555 no C(2) O(1) H(5) 90.5 . 1_555 1_555 no C(2) O(1) H(6) 98.8 . 1_555 1_555 no C(2) O(1) H(7) 135.8 . 1_555 1_555 no C(3) O(1) H(3) 83.9 . 1_555 1_555 no C(3) O(1) H(4) 115.2 . 1_555 1_555 no C(3) O(1) H(5) 23.9 . 1_555 1_555 no C(3) O(1) H(6) 33.4 . 1_555 1_555 no C(3) O(1) H(7) 25.4 . 1_555 1_555 no H(3) O(1) H(4) 48.0 . 1_555 1_555 no H(3) O(1) H(5) 66.2 . 1_555 1_555 no H(3) O(1) H(6) 73.3 . 1_555 1_555 no H(3) O(1) H(7) 109.1 . 1_555 1_555 no H(4) O(1) H(5) 108.3 . 1_555 1_555 no H(4) O(1) H(6) 86.1 . 1_555 1_555 no H(4) O(1) H(7) 132.2 . 1_555 1_555 no H(5) O(1) H(6) 46.5 . 1_555 1_555 no H(5) O(1) H(7) 46.8 . 1_555 1_555 no H(6) O(1) H(7) 46.5 . 1_555 1_555 no S(1) O(2) O(2) 33.0(4) . 1_555 7_545 yes S(1) O(2) O(3) 32.3(3) . 1_555 1_555 yes S(1) O(2) C(8) 43.4(5) . 1_555 1_555 yes S(1) O(2) H(10) 130.0 . 1_555 1_545 no O(2) O(2) O(3) 60.7(3) . 7_545 1_555 yes O(2) O(2) C(8) 61.0(4) . 7_545 1_555 yes O(2) O(2) H(10) 156.9 . 7_545 1_545 no O(3) O(2) C(8) 61.3(7) . 1_555 1_555 yes O(3) O(2) H(10) 111.7 . 1_555 1_545 no C(8) O(2) H(10) 96.0 . 1_555 1_545 no S(1) O(3) O(2) 31.6(3) . 1_555 1_555 yes S(1) O(3) O(2) 31.6(3) . 1_555 7_545 yes S(1) O(3) C(8) 42.5(7) . 1_555 1_555 yes S(1) O(3) H(3) 113.1 . 1_555 1_555 no S(1) O(3) H(3) 113.1 . 1_555 7_545 no O(2) O(3) O(2) 58.7(5) . 1_555 7_545 yes O(2) O(3) C(8) 59.9(6) . 1_555 1_555 yes O(2) O(3) H(3) 139.0 . 1_555 1_555 no O(2) O(3) H(3) 82.1 . 1_555 7_545 no O(2) O(3) C(8) 59.9(6) . 7_545 1_555 yes O(2) O(3) H(3) 82.1 . 7_545 1_555 no O(2) O(3) H(3) 139.0 . 7_545 7_545 no C(8) O(3) H(3) 112.4 . 1_555 1_555 no C(8) O(3) H(3) 112.4 . 1_555 7_545 no H(3) O(3) H(3) 131.0 . 1_555 7_545 no Ag(1) N(1) C(1) 108.3(8) . 1_555 1_555 yes Ag(1) N(1) C(1) 108.3(8) . 1_555 7_555 yes Ag(1) N(1) C(2) 86.2(5) . 1_555 1_555 yes Ag(1) N(1) C(2) 86.2(5) . 1_555 7_555 yes Ag(1) N(1) C(4) 111.3(10) . 1_555 1_555 yes Ag(1) N(1) C(5) 141.5(7) . 1_555 1_555 yes Ag(1) N(1) H(1) 116.5 . 1_555 1_555 no Ag(1) N(1) H(1) 116.5 . 1_555 7_555 no Ag(1) N(1) H(2) 120.3 . 1_555 1_555 no Ag(1) N(1) H(2) 120.3 . 1_555 7_555 no Ag(1) N(1) H(8) 93.5 . 1_555 1_555 no Ag(1) N(1) H(9) 93.5 . 1_555 1_555 no C(1) N(1) C(1) 103(2) . 1_555 7_555 yes C(1) N(1) C(2) 25.0(9) . 1_555 1_555 yes C(1) N(1) C(2) 123(1) . 1_555 7_555 yes C(1) N(1) C(4) 112.3(9) . 1_555 1_555 yes C(1) N(1) C(5) 94.9(7) . 1_555 1_555 yes C(1) N(1) H(1) 20.8 . 1_555 1_555 no C(1) N(1) H(1) 83.1 . 1_555 7_555 no C(1) N(1) H(2) 29.9 . 1_555 1_555 no C(1) N(1) H(2) 119.4 . 1_555 7_555 no C(1) N(1) H(8) 141.3 . 1_555 1_555 no C(1) N(1) H(9) 98.7 . 1_555 1_555 no C(1) N(1) C(2) 123(1) . 7_555 1_555 yes C(1) N(1) C(2) 25.0(9) . 7_555 7_555 yes C(1) N(1) C(4) 112.3(9) . 7_555 1_555 yes C(1) N(1) C(5) 94.9(7) . 7_555 1_555 yes C(1) N(1) H(1) 83.1 . 7_555 1_555 no C(1) N(1) H(1) 20.8 . 7_555 7_555 no C(1) N(1) H(2) 119.4 . 7_555 1_555 no C(1) N(1) H(2) 29.9 . 7_555 7_555 no C(1) N(1) H(8) 98.7 . 7_555 1_555 no C(1) N(1) H(9) 141.3 . 7_555 1_555 no C(2) N(1) C(2) 135(1) . 1_555 7_555 yes C(2) N(1) C(4) 111.8(9) . 1_555 1_555 yes C(2) N(1) C(5) 106.5(8) . 1_555 1_555 yes C(2) N(1) H(1) 43.8 . 1_555 1_555 no C(2) N(1) H(1) 103.7 . 1_555 7_555 no C(2) N(1) H(2) 38.3 . 1_555 1_555 no C(2) N(1) H(2) 144.0 . 1_555 7_555 no C(2) N(1) H(8) 135.6 . 1_555 1_555 no C(2) N(1) H(9) 88.6 . 1_555 1_555 no C(2) N(1) C(4) 111.8(9) . 7_555 1_555 yes C(2) N(1) C(5) 106.5(8) . 7_555 1_555 yes C(2) N(1) H(1) 103.7 . 7_555 1_555 no C(2) N(1) H(1) 43.8 . 7_555 7_555 no C(2) N(1) H(2) 144.0 . 7_555 1_555 no C(2) N(1) H(2) 38.3 . 7_555 7_555 no C(2) N(1) H(8) 88.6 . 7_555 1_555 no C(2) N(1) H(9) 135.6 . 7_555 1_555 no C(4) N(1) C(5) 30.1(7) . 1_555 1_555 yes C(4) N(1) H(1) 121.2 . 1_555 1_555 no C(4) N(1) H(1) 121.2 . 1_555 7_555 no C(4) N(1) H(2) 82.5 . 1_555 1_555 no C(4) N(1) H(2) 82.5 . 1_555 7_555 no C(4) N(1) H(8) 29.0 . 1_555 1_555 no C(4) N(1) H(9) 29.0 . 1_555 1_555 no C(5) N(1) H(1) 96.1 . 1_555 1_555 no C(5) N(1) H(1) 96.1 . 1_555 7_555 no C(5) N(1) H(2) 68.9 . 1_555 1_555 no C(5) N(1) H(2) 68.9 . 1_555 7_555 no C(5) N(1) H(8) 51.8 . 1_555 1_555 no C(5) N(1) H(9) 51.8 . 1_555 1_555 no H(1) N(1) H(1) 62.3 . 1_555 7_555 no H(1) N(1) H(2) 44.6 . 1_555 1_555 no H(1) N(1) H(2) 100.3 . 1_555 7_555 no H(1) N(1) H(8) 147.9 . 1_555 1_555 no H(1) N(1) H(9) 115.7 . 1_555 1_555 no H(1) N(1) H(2) 100.3 . 7_555 1_555 no H(1) N(1) H(2) 44.6 . 7_555 7_555 no H(1) N(1) H(8) 115.7 . 7_555 1_555 no H(1) N(1) H(9) 147.9 . 7_555 1_555 no H(2) N(1) H(2) 118.9 . 1_555 7_555 no H(2) N(1) H(8) 111.4 . 1_555 1_555 no H(2) N(1) H(9) 71.1 . 1_555 1_555 no H(2) N(1) H(8) 71.1 . 7_555 1_555 no H(2) N(1) H(9) 111.4 . 7_555 1_555 no H(8) N(1) H(9) 47.1 . 1_555 1_555 no Ag(1) N(2) C(6) 150.6(3) . 1_455 1_555 yes Ag(1) N(2) C(6) 150.6(3) . 1_455 7_555 yes Ag(1) N(2) C(7) 121.7(6) . 1_455 1_555 yes Ag(1) N(2) C(7) 121.7(6) . 1_455 7_555 yes Ag(1) N(2) H(11) 95.4 . 1_455 1_555 no Ag(1) N(2) H(11) 95.4 . 1_455 7_555 no C(6) N(2) C(6) 58.3(6) . 1_555 7_555 yes C(6) N(2) C(7) 29.0(5) . 1_555 1_555 yes C(6) N(2) C(7) 87.3(7) . 1_555 7_555 yes C(6) N(2) H(11) 55.3 . 1_555 1_555 no C(6) N(2) H(11) 113.5 . 1_555 7_555 no C(6) N(2) C(7) 87.3(7) . 7_555 1_555 yes C(6) N(2) C(7) 29.0(5) . 7_555 7_555 yes C(6) N(2) H(11) 113.5 . 7_555 1_555 no C(6) N(2) H(11) 55.3 . 7_555 7_555 no C(7) N(2) C(7) 116(1) . 1_555 7_555 yes C(7) N(2) H(11) 26.3 . 1_555 1_555 no C(7) N(2) H(11) 142.4 . 1_555 7_555 no C(7) N(2) H(11) 142.4 . 7_555 1_555 no C(7) N(2) H(11) 26.3 . 7_555 7_555 no H(11) N(2) H(11) 167.3 . 1_555 7_555 no O(1) C(1) N(1) 99.7(8) . 1_555 1_555 yes O(1) C(1) C(1) 118.8(6) . 1_555 7_555 yes O(1) C(1) C(2) 30.9(9) . 1_555 1_555 yes O(1) C(1) C(4) 110.8(7) . 1_555 1_555 yes O(1) C(1) H(1) 115.0 . 1_555 1_555 no O(1) C(1) H(1) 125.5 . 1_555 7_555 no O(1) C(1) H(2) 105.8 . 1_555 1_555 no O(1) C(1) H(3) 51.7 . 1_555 1_555 no O(1) C(1) H(4) 52.3 . 1_555 1_555 no O(1) C(1) H(9) 94.1 . 1_555 1_555 no N(1) C(1) C(1) 38(1) . 1_555 7_555 yes N(1) C(1) C(2) 125(1) . 1_555 1_555 yes N(1) C(1) C(4) 33.1(6) . 1_555 1_555 yes N(1) C(1) H(1) 121.1 . 1_555 1_555 no N(1) C(1) H(1) 58.8 . 1_555 7_555 no N(1) C(1) H(2) 105.2 . 1_555 1_555 no N(1) C(1) H(3) 134.5 . 1_555 1_555 no N(1) C(1) H(4) 145.7 . 1_555 1_555 no N(1) C(1) H(9) 47.2 . 1_555 1_555 no C(1) C(1) C(2) 149(1) . 7_555 1_555 yes C(1) C(1) C(4) 61.1(7) . 7_555 1_555 yes C(1) C(1) H(1) 83.1 . 7_555 1_555 no C(1) C(1) H(1) 20.8 . 7_555 7_555 no C(1) C(1) H(2) 123.5 . 7_555 1_555 no C(1) C(1) H(3) 169.8 . 7_555 1_555 no C(1) C(1) H(4) 132.0 . 7_555 1_555 no C(1) C(1) H(9) 81.3 . 7_555 1_555 no C(2) C(1) C(4) 120(2) . 1_555 1_555 yes C(2) C(1) H(1) 106.7 . 1_555 1_555 no C(2) C(1) H(1) 150.7 . 1_555 7_555 no C(2) C(1) H(2) 81.4 . 1_555 1_555 no C(2) C(1) H(3) 21.3 . 1_555 1_555 no C(2) C(1) H(4) 40.2 . 1_555 1_555 no C(2) C(1) H(9) 99.2 . 1_555 1_555 no C(4) C(1) H(1) 131.5 . 1_555 1_555 no C(4) C(1) H(1) 78.8 . 1_555 7_555 no C(4) C(1) H(2) 72.2 . 1_555 1_555 no C(4) C(1) H(3) 116.6 . 1_555 1_555 no C(4) C(1) H(4) 160.8 . 1_555 1_555 no C(4) C(1) H(9) 22.0 . 1_555 1_555 no H(1) C(1) H(1) 62.3 . 1_555 7_555 no H(1) C(1) H(2) 108.7 . 1_555 1_555 no H(1) C(1) H(3) 104.0 . 1_555 1_555 no H(1) C(1) H(4) 67.6 . 1_555 1_555 no H(1) C(1) H(9) 150.8 . 1_555 1_555 no H(1) C(1) H(2) 127.3 . 7_555 1_555 no H(1) C(1) H(3) 164.6 . 7_555 1_555 no H(1) C(1) H(4) 117.4 . 7_555 1_555 no H(1) C(1) H(9) 100.2 . 7_555 1_555 no H(2) C(1) H(3) 61.7 . 1_555 1_555 no H(2) C(1) H(4) 102.0 . 1_555 1_555 no H(2) C(1) H(9) 61.7 . 1_555 1_555 no H(3) C(1) H(4) 47.6 . 1_555 1_555 no H(3) C(1) H(9) 95.1 . 1_555 1_555 no H(4) C(1) H(9) 139.3 . 1_555 1_555 no O(1) C(2) N(1) 97.6(9) . 1_555 1_555 yes O(1) C(2) C(1) 121(1) . 1_555 1_555 yes O(1) C(2) C(3) 34.2(7) . 1_555 1_555 yes O(1) C(2) H(1) 127.6 . 1_555 1_555 no O(1) C(2) H(2) 147.5 . 1_555 1_555 no O(1) C(2) H(3) 107.8 . 1_555 1_555 no O(1) C(2) H(4) 92.2 . 1_555 1_555 no O(1) C(2) H(5) 53.7 . 1_555 1_555 no O(1) C(2) H(6) 48.6 . 1_555 1_555 no N(1) C(2) C(1) 29.9(10) . 1_555 1_555 yes N(1) C(2) C(3) 120.4(9) . 1_555 1_555 yes N(1) C(2) H(1) 56.3 . 1_555 1_555 no N(1) C(2) H(2) 56.1 . 1_555 1_555 no N(1) C(2) H(3) 139.2 . 1_555 1_555 no N(1) C(2) H(4) 118.7 . 1_555 1_555 no N(1) C(2) H(5) 120.0 . 1_555 1_555 no N(1) C(2) H(6) 144.5 . 1_555 1_555 no C(1) C(2) C(3) 149(1) . 1_555 1_555 yes C(1) C(2) H(1) 28.5 . 1_555 1_555 no C(1) C(2) H(2) 43.2 . 1_555 1_555 no C(1) C(2) H(3) 128.6 . 1_555 1_555 no C(1) C(2) H(4) 97.9 . 1_555 1_555 no C(1) C(2) H(5) 147.2 . 1_555 1_555 no C(1) C(2) H(6) 169.2 . 1_555 1_555 no C(3) C(2) H(1) 160.9 . 1_555 1_555 no C(3) C(2) H(2) 139.7 . 1_555 1_555 no C(3) C(2) H(3) 74.4 . 1_555 1_555 no C(3) C(2) H(4) 100.4 . 1_555 1_555 no C(3) C(2) H(5) 21.5 . 1_555 1_555 no C(3) C(2) H(6) 25.5 . 1_555 1_555 no H(1) C(2) H(2) 57.0 . 1_555 1_555 no H(1) C(2) H(3) 121.4 . 1_555 1_555 no H(1) C(2) H(4) 70.2 . 1_555 1_555 no H(1) C(2) H(5) 175.6 . 1_555 1_555 no H(1) C(2) H(6) 148.7 . 1_555 1_555 no H(2) C(2) H(3) 87.4 . 1_555 1_555 no H(2) C(2) H(4) 116.3 . 1_555 1_555 no H(2) C(2) H(5) 119.4 . 1_555 1_555 no H(2) C(2) H(6) 147.4 . 1_555 1_555 no H(3) C(2) H(4) 92.2 . 1_555 1_555 no H(3) C(2) H(5) 59.4 . 1_555 1_555 no H(3) C(2) H(6) 62.1 . 1_555 1_555 no H(4) C(2) H(5) 114.2 . 1_555 1_555 no H(4) C(2) H(6) 78.7 . 1_555 1_555 no H(5) C(2) H(6) 35.7 . 1_555 1_555 no O(1) C(3) C(2) 35.4(8) . 1_555 1_555 yes O(1) C(3) H(3) 58.3 . 1_555 1_555 no O(1) C(3) H(5) 117.4 . 1_555 1_555 no O(1) C(3) H(6) 104.0 . 1_555 1_555 no O(1) C(3) H(7) 115.0 . 1_555 1_555 no C(2) C(3) H(3) 23.3 . 1_555 1_555 no C(2) C(3) H(5) 87.3 . 1_555 1_555 no C(2) C(3) H(6) 92.7 . 1_555 1_555 no C(2) C(3) H(7) 150.4 . 1_555 1_555 no H(3) C(3) H(5) 70.6 . 1_555 1_555 no H(3) C(3) H(6) 80.2 . 1_555 1_555 no H(3) C(3) H(7) 172.0 . 1_555 1_555 no H(5) C(3) H(6) 100.2 . 1_555 1_555 no H(5) C(3) H(7) 117.3 . 1_555 1_555 no H(6) C(3) H(7) 98.2 . 1_555 1_555 no N(1) C(4) C(1) 34.6(6) . 1_555 1_555 yes N(1) C(4) C(1) 34.6(6) . 1_555 7_555 yes N(1) C(4) C(5) 121(1) . 1_555 1_555 yes N(1) C(4) C(6) 117.8(9) . 1_555 1_555 yes N(1) C(4) C(6) 117.8(9) . 1_555 7_555 yes N(1) C(4) H(2) 60.0 . 1_555 1_555 no N(1) C(4) H(2) 60.0 . 1_555 7_555 no N(1) C(4) H(8) 106.0 . 1_555 1_555 no N(1) C(4) H(9) 106.0 . 1_555 1_555 no N(1) C(4) H(10) 110.9 . 1_555 1_555 no N(1) C(4) H(10) 110.9 . 1_555 7_555 no C(1) C(4) C(1) 57(1) . 1_555 7_555 yes C(1) C(4) C(5) 100.2(8) . 1_555 1_555 yes C(1) C(4) C(6) 112.5(7) . 1_555 1_555 yes C(1) C(4) C(6) 86.3(6) . 1_555 7_555 yes C(1) C(4) H(2) 25.5 . 1_555 1_555 no C(1) C(4) H(2) 79.9 . 1_555 7_555 no C(1) C(4) H(8) 140.5 . 1_555 1_555 no C(1) C(4) H(9) 90.4 . 1_555 1_555 no C(1) C(4) H(10) 120.0 . 1_555 1_555 no C(1) C(4) H(10) 76.4 . 1_555 7_555 no C(1) C(4) C(5) 100.2(8) . 7_555 1_555 yes C(1) C(4) C(6) 86.3(6) . 7_555 1_555 yes C(1) C(4) C(6) 112.5(7) . 7_555 7_555 yes C(1) C(4) H(2) 79.9 . 7_555 1_555 no C(1) C(4) H(2) 25.5 . 7_555 7_555 no C(1) C(4) H(8) 90.4 . 7_555 1_555 no C(1) C(4) H(9) 140.5 . 7_555 1_555 no C(1) C(4) H(10) 76.4 . 7_555 1_555 no C(1) C(4) H(10) 120.0 . 7_555 7_555 no C(5) C(4) C(6) 27.6(3) . 1_555 1_555 yes C(5) C(4) C(6) 27.6(3) . 1_555 7_555 yes C(5) C(4) H(2) 84.0 . 1_555 1_555 no C(5) C(4) H(2) 84.0 . 1_555 7_555 no C(5) C(4) H(8) 108.7 . 1_555 1_555 no C(5) C(4) H(9) 108.7 . 1_555 1_555 no C(5) C(4) H(10) 49.5 . 1_555 1_555 no C(5) C(4) H(10) 49.5 . 1_555 7_555 no C(6) C(4) C(6) 55.2(6) . 1_555 7_555 yes C(6) C(4) H(2) 105.0 . 1_555 1_555 no C(6) C(4) H(2) 63.9 . 1_555 7_555 no C(6) C(4) H(8) 85.2 . 1_555 1_555 no C(6) C(4) H(9) 130.5 . 1_555 1_555 no C(6) C(4) H(10) 21.9 . 1_555 1_555 no C(6) C(4) H(10) 77.1 . 1_555 7_555 no C(6) C(4) H(2) 63.9 . 7_555 1_555 no C(6) C(4) H(2) 105.0 . 7_555 7_555 no C(6) C(4) H(8) 130.5 . 7_555 1_555 no C(6) C(4) H(9) 85.2 . 7_555 1_555 no C(6) C(4) H(10) 77.1 . 7_555 1_555 no C(6) C(4) H(10) 21.9 . 7_555 7_555 no H(2) C(4) H(2) 97.6 . 1_555 7_555 no H(2) C(4) H(8) 165.3 . 1_555 1_555 no H(2) C(4) H(9) 77.0 . 1_555 1_555 no H(2) C(4) H(10) 121.2 . 1_555 1_555 no H(2) C(4) H(10) 51.2 . 1_555 7_555 no H(2) C(4) H(8) 77.0 . 7_555 1_555 no H(2) C(4) H(9) 165.3 . 7_555 1_555 no H(2) C(4) H(10) 51.2 . 7_555 1_555 no H(2) C(4) H(10) 121.2 . 7_555 7_555 no H(8) C(4) H(9) 104.7 . 1_555 1_555 no H(8) C(4) H(10) 66.2 . 1_555 1_555 no H(8) C(4) H(10) 143.1 . 1_555 7_555 no H(9) C(4) H(10) 143.1 . 1_555 1_555 no H(9) C(4) H(10) 66.2 . 1_555 7_555 no H(10) C(4) H(10) 98.9 . 1_555 7_555 no N(1) C(5) C(4) 28.4(7) . 1_555 1_555 yes N(1) C(5) C(6) 117.5(7) . 1_555 1_555 yes N(1) C(5) C(6) 117.5(7) . 1_555 7_555 yes N(1) C(5) C(7) 139.2(6) . 1_555 1_555 yes N(1) C(5) C(7) 139.2(6) . 1_555 7_555 yes N(1) C(5) H(2) 46.0 . 1_555 1_555 no N(1) C(5) H(2) 46.0 . 1_555 7_555 no N(1) C(5) H(8) 48.3 . 1_555 1_555 no N(1) C(5) H(9) 48.3 . 1_555 1_555 no N(1) C(5) H(10) 96.3 . 1_555 1_555 no N(1) C(5) H(10) 96.3 . 1_555 7_555 no C(4) C(5) C(6) 121.5(6) . 1_555 1_555 yes C(4) C(5) C(6) 121.5(6) . 1_555 7_555 yes C(4) C(5) C(7) 151.6(3) . 1_555 1_555 yes C(4) C(5) C(7) 151.6(3) . 1_555 7_555 yes C(4) C(5) H(2) 61.3 . 1_555 1_555 no C(4) C(5) H(2) 61.3 . 1_555 7_555 no C(4) C(5) H(8) 27.0 . 1_555 1_555 no C(4) C(5) H(9) 27.0 . 1_555 1_555 no C(4) C(5) H(10) 96.3 . 1_555 1_555 no C(4) C(5) H(10) 96.3 . 1_555 7_555 no C(6) C(5) C(6) 117(1) . 1_555 7_555 yes C(6) C(5) C(7) 30.3(5) . 1_555 1_555 yes C(6) C(5) C(7) 86.8(7) . 1_555 7_555 yes C(6) C(5) H(2) 145.1 . 1_555 1_555 no C(6) C(5) H(2) 71.8 . 1_555 7_555 no C(6) C(5) H(8) 98.0 . 1_555 1_555 no C(6) C(5) H(9) 141.9 . 1_555 1_555 no C(6) C(5) H(10) 25.2 . 1_555 1_555 no C(6) C(5) H(10) 142.2 . 1_555 7_555 no C(6) C(5) C(7) 86.8(7) . 7_555 1_555 yes C(6) C(5) C(7) 30.3(5) . 7_555 7_555 yes C(6) C(5) H(2) 71.8 . 7_555 1_555 no C(6) C(5) H(2) 145.1 . 7_555 7_555 no C(6) C(5) H(8) 141.9 . 7_555 1_555 no C(6) C(5) H(9) 98.0 . 7_555 1_555 no C(6) C(5) H(10) 142.2 . 7_555 1_555 no C(6) C(5) H(10) 25.2 . 7_555 7_555 no C(7) C(5) C(7) 56.6(6) . 1_555 7_555 yes C(7) C(5) H(2) 135.7 . 1_555 1_555 no C(7) C(5) H(2) 94.9 . 1_555 7_555 no C(7) C(5) H(8) 127.8 . 1_555 1_555 no C(7) C(5) H(9) 166.7 . 1_555 1_555 no C(7) C(5) H(10) 55.5 . 1_555 1_555 no C(7) C(5) H(10) 112.0 . 1_555 7_555 no C(7) C(5) H(2) 94.9 . 7_555 1_555 no C(7) C(5) H(2) 135.7 . 7_555 7_555 no C(7) C(5) H(8) 166.7 . 7_555 1_555 no C(7) C(5) H(9) 127.8 . 7_555 1_555 no C(7) C(5) H(10) 112.0 . 7_555 1_555 no C(7) C(5) H(10) 55.5 . 7_555 7_555 no H(2) C(5) H(2) 83.2 . 1_555 7_555 no H(2) C(5) H(8) 88.1 . 1_555 1_555 no H(2) C(5) H(9) 57.6 . 1_555 1_555 no H(2) C(5) H(10) 136.7 . 1_555 1_555 no H(2) C(5) H(10) 53.7 . 1_555 7_555 no H(2) C(5) H(8) 57.6 . 7_555 1_555 no H(2) C(5) H(9) 88.1 . 7_555 1_555 no H(2) C(5) H(10) 53.7 . 7_555 1_555 no H(2) C(5) H(10) 136.7 . 7_555 7_555 no H(8) C(5) H(9) 44.6 . 1_555 1_555 no H(8) C(5) H(10) 73.4 . 1_555 1_555 no H(8) C(5) H(10) 117.9 . 1_555 7_555 no H(9) C(5) H(10) 117.9 . 1_555 1_555 no H(9) C(5) H(10) 73.4 . 1_555 7_555 no H(10) C(5) H(10) 167.0 . 1_555 7_555 no N(2) C(6) C(4) 123.0(5) . 1_555 1_555 yes N(2) C(6) C(5) 92.2(7) . 1_555 1_555 yes N(2) C(6) C(6) 60.8(3) . 1_555 7_555 yes N(2) C(6) C(7) 27.7(6) . 1_555 1_555 yes N(2) C(6) C(7) 29.7(3) . 1_555 7_555 yes N(2) C(6) H(2) 137.6 . 1_555 7_555 no N(2) C(6) H(8) 141.9 . 1_555 1_555 no N(2) C(6) H(10) 148.5 . 1_555 1_555 no N(2) C(6) H(11) 52.3 . 1_555 1_555 no C(4) C(6) C(5) 30.9(4) . 1_555 1_555 yes C(4) C(6) C(6) 62.4(3) . 1_555 7_555 yes C(4) C(6) C(7) 150.6(8) . 1_555 1_555 yes C(4) C(6) C(7) 93.5(5) . 1_555 7_555 yes C(4) C(6) H(2) 54.7 . 1_555 7_555 no C(4) C(6) H(8) 22.0 . 1_555 1_555 no C(4) C(6) H(10) 88.3 . 1_555 1_555 no C(4) C(6) H(11) 175.2 . 1_555 1_555 no C(5) C(6) C(6) 31.5(6) . 1_555 7_555 yes C(5) C(6) C(7) 119.9(10) . 1_555 1_555 yes C(5) C(6) C(7) 62.6(6) . 1_555 7_555 yes C(5) C(6) H(2) 77.9 . 1_555 7_555 no C(5) C(6) H(8) 50.9 . 1_555 1_555 no C(5) C(6) H(10) 119.2 . 1_555 1_555 no C(5) C(6) H(11) 144.5 . 1_555 1_555 no C(6) C(6) C(7) 88.5(7) . 7_555 1_555 yes C(6) C(6) C(7) 31.2(3) . 7_555 7_555 yes C(6) C(6) H(2) 103.3 . 7_555 7_555 no C(6) C(6) H(8) 81.6 . 7_555 1_555 no C(6) C(6) H(10) 150.6 . 7_555 1_555 no C(6) C(6) H(11) 113.1 . 7_555 1_555 no C(7) C(6) C(7) 57.4(7) . 1_555 7_555 yes C(7) C(6) H(2) 137.2 . 1_555 7_555 no C(7) C(6) H(8) 167.8 . 1_555 1_555 no C(7) C(6) H(10) 120.8 . 1_555 1_555 no C(7) C(6) H(11) 24.7 . 1_555 1_555 no C(7) C(6) H(2) 125.0 . 7_555 7_555 no C(7) C(6) H(8) 112.5 . 7_555 1_555 no C(7) C(6) H(10) 178.1 . 7_555 1_555 no C(7) C(6) H(11) 82.0 . 7_555 1_555 no H(2) C(6) H(8) 53.1 . 7_555 1_555 no H(2) C(6) H(10) 56.7 . 7_555 1_555 no H(2) C(6) H(11) 127.0 . 7_555 1_555 no H(8) C(6) H(10) 69.2 . 1_555 1_555 no H(8) C(6) H(11) 162.8 . 1_555 1_555 no H(10) C(6) H(11) 96.2 . 1_555 1_555 no N(2) C(7) C(5) 93.5(7) . 1_555 1_555 yes N(2) C(7) C(6) 123(1) . 1_555 1_555 yes N(2) C(7) C(6) 63.0(6) . 1_555 7_555 yes N(2) C(7) C(7) 31.8(6) . 1_555 7_555 yes N(2) C(7) H(10) 147.6 . 1_555 1_555 no N(2) C(7) H(11) 117.2 . 1_555 1_555 no C(5) C(7) C(6) 29.8(5) . 1_555 1_555 yes C(5) C(7) C(6) 30.6(3) . 1_555 7_555 yes C(5) C(7) C(7) 61.7(3) . 1_555 7_555 yes C(5) C(7) H(10) 54.1 . 1_555 1_555 no C(5) C(7) H(11) 149.3 . 1_555 1_555 no C(6) C(7) C(6) 60.3(7) . 1_555 7_555 yes C(6) C(7) C(7) 91.5(7) . 1_555 7_555 yes C(6) C(7) H(10) 24.3 . 1_555 1_555 no C(6) C(7) H(11) 119.5 . 1_555 1_555 no C(6) C(7) C(7) 31.2(3) . 7_555 7_555 yes C(6) C(7) H(10) 84.6 . 7_555 1_555 no C(6) C(7) H(11) 175.7 . 7_555 1_555 no C(7) C(7) H(10) 115.8 . 7_555 1_555 no C(7) C(7) H(11) 148.7 . 7_555 1_555 no H(10) C(7) H(11) 95.3 . 1_555 1_555 no S(1) C(8) F(1) 117(2) . 1_555 1_555 yes S(1) C(8) F(2) 113(1) . 1_555 1_555 yes S(1) C(8) F(2) 113(1) . 1_555 7_545 yes S(1) C(8) O(2) 34.4(4) . 1_555 1_555 yes S(1) C(8) O(2) 34.4(4) . 1_555 7_545 yes S(1) C(8) O(3) 34.3(6) . 1_555 1_555 yes F(1) C(8) F(2) 104(1) . 1_555 1_555 yes F(1) C(8) F(2) 104(1) . 1_555 7_545 yes F(1) C(8) O(2) 97(1) . 1_555 1_555 yes F(1) C(8) O(2) 97(1) . 1_555 7_545 yes F(1) C(8) O(3) 151(2) . 1_555 1_555 yes F(2) C(8) F(2) 101(2) . 1_555 7_545 yes F(2) C(8) O(2) 148(1) . 1_555 1_555 yes F(2) C(8) O(2) 95.5(9) . 1_555 7_545 yes F(2) C(8) O(3) 93(1) . 1_555 1_555 yes F(2) C(8) O(2) 95.5(9) . 7_545 1_555 yes F(2) C(8) O(2) 148(1) . 7_545 7_545 yes F(2) C(8) O(3) 93(1) . 7_545 1_555 yes O(2) C(8) O(2) 57.9(7) . 1_555 7_545 yes O(2) C(8) O(3) 58.8(7) . 1_555 1_555 yes O(2) C(8) O(3) 58.8(7) . 7_545 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Ag(1) O(1) C(1) N(1) 8(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(1) C(1) -26.6(3) 1_555 1_555 1_555 7_555 yes Ag(1) O(1) C(1) C(2) 156(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(1) C(4) 40.9(8) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(2) N(1) -4(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(2) C(1) -23(3) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(2) C(3) 130(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(3) C(2) -119(1) 1_555 1_555 1_555 1_555 yes Ag(1) O(1) C(2) C(1) 23(3) 1_555 7_555 7_555 7_555 yes Ag(1) N(1) C(1) O(1) -10(1) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(1) C(1) 114(1) 1_555 1_555 1_555 7_555 yes Ag(1) N(1) C(1) C(2) -29(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(1) C(4) -123(1) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(1) C(2) 29(3) 1_555 1_555 7_555 7_555 yes Ag(1) N(1) C(2) O(1) 5(1) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(2) C(1) 152(3) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(2) C(3) -22(1) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(2) O(1) -5(1) 1_555 1_555 7_555 7_555 yes Ag(1) N(1) C(2) C(1) -152(3) 1_555 1_555 7_555 7_555 yes Ag(1) N(1) C(4) C(1) 121(1) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(4) C(1) -121(1) 1_555 1_555 1_555 7_555 yes Ag(1) N(1) C(4) C(5) 180.0 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(4) C(6) -148.4(5) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(4) C(6) 148.4(5) 1_555 1_555 1_555 7_555 yes Ag(1) N(1) C(5) C(4) 0.0 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(5) C(6) -105.9(9) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(5) C(6) 105.9(9) 1_555 1_555 1_555 7_555 yes Ag(1) N(1) C(5) C(7) -133.6(8) 1_555 1_555 1_555 1_555 yes Ag(1) N(1) C(5) C(7) 133.6(8) 1_555 1_555 1_555 7_555 yes S(1) F(1) F(2) F(2) -75.5(3) 1_555 1_555 1_555 7_545 yes S(1) F(1) F(2) C(8) -31(1) 1_555 1_555 1_555 1_555 yes S(1) F(1) F(2) C(8) 31(1) 1_555 1_555 7_545 1_555 yes S(1) F(1) C(8) F(2) 126(1) 1_555 1_555 1_555 1_555 yes S(1) F(1) C(8) F(2) -126(1) 1_555 1_555 1_555 7_545 yes S(1) F(1) C(8) O(2) -29.2(4) 1_555 1_555 1_555 1_555 yes S(1) F(1) C(8) O(2) 29.2(4) 1_555 1_555 1_555 7_545 yes S(1) F(1) C(8) O(3) 0.0 1_555 1_555 1_555 1_555 yes S(1) F(2) F(1) F(2) 75.5(3) 1_555 1_555 1_555 7_545 yes S(1) F(2) F(1) C(8) 31(1) 1_555 1_555 1_555 1_555 yes S(1) F(2) F(2) C(8) -34(1) 1_555 1_555 7_545 1_555 yes S(1) F(2) C(8) F(1) -129(2) 1_555 1_555 1_555 1_555 yes S(1) F(2) C(8) F(2) 122(2) 1_555 1_555 1_555 7_545 yes S(1) F(2) C(8) O(2) 1(1) 1_555 1_555 1_555 1_555 yes S(1) F(2) C(8) O(2) -30.3(8) 1_555 1_555 1_555 7_545 yes S(1) F(2) C(8) O(3) 28.6(10) 1_555 1_555 1_555 1_555 yes S(1) F(2) C(8) F(1) 129(2) 1_555 7_545 1_555 1_555 yes S(1) F(2) C(8) F(2) -122(2) 1_555 7_545 1_555 1_555 yes S(1) F(2) C(8) O(2) 30.3(8) 1_555 7_545 1_555 1_555 yes S(1) F(2) C(8) O(2) -1(1) 1_555 7_545 1_555 7_545 yes S(1) F(2) C(8) O(3) -28.6(10) 1_555 7_545 1_555 1_555 yes S(1) O(2) O(3) O(2) -24.2(6) 1_555 1_555 1_555 7_545 yes S(1) O(2) O(3) C(8) 46.8(7) 1_555 1_555 1_555 1_555 yes S(1) O(2) C(8) F(1) 129(1) 1_555 1_555 1_555 1_555 yes S(1) O(2) C(8) F(2) -2(2) 1_555 1_555 1_555 1_555 yes S(1) O(2) C(8) F(2) -124(1) 1_555 1_555 1_555 7_545 yes S(1) O(2) C(8) O(2) 35.9(5) 1_555 1_555 1_555 7_545 yes S(1) O(2) C(8) O(3) -34.5(6) 1_555 1_555 1_555 1_555 yes S(1) O(3) O(2) O(2) 24.2(6) 1_555 1_555 1_555 7_545 yes S(1) O(3) O(2) C(8) -46.8(7) 1_555 1_555 1_555 1_555 yes S(1) O(3) C(8) F(1) 0.0 1_555 1_555 1_555 1_555 yes S(1) O(3) C(8) F(2) -128(1) 1_555 1_555 1_555 1_555 yes S(1) O(3) C(8) F(2) 128(1) 1_555 1_555 1_555 7_545 yes S(1) O(3) C(8) O(2) 34.5(3) 1_555 1_555 1_555 1_555 yes S(1) O(3) C(8) O(2) -34.5(3) 1_555 1_555 1_555 7_545 yes S(1) C(8) F(1) F(2) -126(1) 1_555 1_555 1_555 1_555 yes S(1) C(8) F(1) F(2) 126(1) 1_555 1_555 1_555 7_545 yes S(1) C(8) F(2) F(1) 129(2) 1_555 1_555 1_555 1_555 yes S(1) C(8) F(2) F(2) -122(2) 1_555 1_555 1_555 7_545 yes S(1) C(8) O(2) O(2) -35.9(5) 1_555 1_555 1_555 7_545 yes S(1) C(8) O(2) O(3) 34.5(6) 1_555 1_555 1_555 1_555 yes S(1) C(8) O(3) O(2) -34.5(3) 1_555 1_555 1_555 1_555 yes S(1) C(8) O(3) O(2) 34.5(3) 1_555 1_555 1_555 7_545 yes F(1) S(1) F(2) F(2) 65.6(4) 1_555 1_555 1_555 7_545 yes F(1) S(1) F(2) C(8) 30(1) 1_555 1_555 1_555 1_555 yes F(1) S(1) F(2) C(8) -30(1) 1_555 1_555 7_545 1_555 yes F(1) S(1) O(2) O(2) 87.7(7) 1_555 1_555 1_555 7_545 yes F(1) S(1) O(2) O(3) -133.3(9) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(2) C(8) -21.8(8) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(3) O(2) 110.9(5) 1_555 1_555 1_555 1_555 yes F(1) S(1) O(3) O(2) -110.9(5) 1_555 1_555 1_555 7_545 yes F(1) S(1) O(3) C(8) 0.0 1_555 1_555 1_555 1_555 yes F(1) S(1) C(8) F(2) -122(1) 1_555 1_555 1_555 1_555 yes F(1) S(1) C(8) F(2) 122(1) 1_555 1_555 1_555 7_545 yes F(1) S(1) C(8) O(2) 59.1(5) 1_555 1_555 1_555 1_555 yes F(1) S(1) C(8) O(2) -59.1(5) 1_555 1_555 1_555 7_545 yes F(1) S(1) C(8) O(3) 180.0 1_555 1_555 1_555 1_555 yes F(1) F(2) S(1) F(2) -65.6(4) 1_555 1_555 1_555 7_545 yes F(1) F(2) S(1) O(2) -31.7(8) 1_555 1_555 1_555 1_555 yes F(1) F(2) S(1) O(2) 89.4(6) 1_555 1_555 1_555 7_545 yes F(1) F(2) S(1) O(3) -154.4(5) 1_555 1_555 1_555 1_555 yes F(1) F(2) S(1) C(8) -30(1) 1_555 1_555 1_555 1_555 yes F(1) F(2) F(2) C(8) 40(1) 1_555 1_555 7_545 1_555 yes F(1) F(2) C(8) F(2) -108(2) 1_555 1_555 1_555 7_545 yes F(1) F(2) C(8) O(2) 130(3) 1_555 1_555 1_555 1_555 yes F(1) F(2) C(8) O(2) 98(1) 1_555 1_555 1_555 7_545 yes F(1) F(2) C(8) O(3) 157(1) 1_555 1_555 1_555 1_555 yes F(1) F(2) C(8) F(2) 108(2) 1_555 7_545 1_555 1_555 yes F(1) F(2) C(8) O(2) -98(1) 1_555 7_545 1_555 1_555 yes F(1) F(2) C(8) O(2) -130(3) 1_555 7_545 1_555 7_545 yes F(1) F(2) C(8) O(3) -157(1) 1_555 7_545 1_555 1_555 yes F(1) C(8) S(1) F(2) 122(1) 1_555 1_555 1_555 1_555 yes F(1) C(8) S(1) F(2) -122(1) 1_555 1_555 1_555 7_545 yes F(1) C(8) S(1) O(2) -59.1(5) 1_555 1_555 1_555 1_555 yes F(1) C(8) S(1) O(2) 59.1(5) 1_555 1_555 1_555 7_545 yes F(1) C(8) S(1) O(3) 180.0 1_555 1_555 1_555 1_555 yes F(1) C(8) F(2) F(2) 108(2) 1_555 1_555 1_555 7_545 yes F(1) C(8) O(2) O(2) 94.0(9) 1_555 1_555 1_555 7_545 yes F(1) C(8) O(2) O(3) 164.4(10) 1_555 1_555 1_555 1_555 yes F(1) C(8) O(3) O(2) -34.5(3) 1_555 1_555 1_555 1_555 yes F(1) C(8) O(3) O(2) 34.5(3) 1_555 1_555 1_555 7_545 yes F(2) S(1) F(1) C(8) -33.6(4) 1_555 1_555 1_555 1_555 yes F(2) S(1) F(2) C(8) 35(1) 1_555 1_555 7_545 1_555 yes F(2) S(1) O(2) O(2) 110.3(9) 1_555 1_555 1_555 7_545 yes F(2) S(1) O(2) O(3) -110(1) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(2) C(8) 0.7(10) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(3) O(2) 134.8(6) 1_555 1_555 1_555 1_555 yes F(2) S(1) O(3) O(2) -87.1(6) 1_555 1_555 1_555 7_545 yes F(2) S(1) O(3) C(8) 23.9(3) 1_555 1_555 1_555 1_555 yes F(2) S(1) C(8) O(2) -178(1) 1_555 1_555 1_555 1_555 yes F(2) S(1) C(8) O(2) 62(1) 1_555 1_555 1_555 7_545 yes F(2) S(1) C(8) O(3) -57(1) 1_555 1_555 1_555 1_555 yes F(2) F(1) S(1) O(2) 156.6(6) 1_555 1_555 1_555 1_555 yes F(2) F(1) S(1) O(2) -89.4(5) 1_555 1_555 1_555 7_545 yes F(2) F(1) S(1) O(3) 33.6(4) 1_555 1_555 1_555 1_555 yes F(2) F(1) S(1) C(8) 33.6(4) 1_555 1_555 1_555 1_555 yes F(2) F(1) F(2) C(8) -44(1) 1_555 1_555 7_545 1_555 yes F(2) F(1) C(8) O(2) -156(1) 1_555 1_555 1_555 1_555 yes F(2) F(1) C(8) O(2) -97(1) 1_555 1_555 1_555 7_545 yes F(2) F(1) C(8) O(3) -126(1) 1_555 1_555 1_555 1_555 yes F(2) F(2) C(8) O(2) 152(2) 1_555 7_545 1_555 1_555 yes F(2) F(2) C(8) O(2) 121(4) 1_555 7_545 1_555 7_545 yes F(2) F(2) C(8) O(3) 94(1) 1_555 7_545 1_555 1_555 yes F(2) C(8) S(1) O(2) 178(1) 1_555 1_555 1_555 1_555 yes F(2) C(8) S(1) O(2) -62(1) 1_555 1_555 1_555 7_545 yes F(2) C(8) S(1) O(3) 57(1) 1_555 1_555 1_555 1_555 yes F(2) C(8) O(2) O(2) -37(2) 1_555 1_555 1_555 7_545 yes F(2) C(8) O(2) O(3) 32(2) 1_555 1_555 1_555 1_555 yes F(2) C(8) O(3) O(2) -163(1) 1_555 1_555 1_555 1_555 yes F(2) C(8) O(3) O(2) -94.5(10) 1_555 1_555 1_555 7_545 yes O(1) Ag(1) O(1) C(2) -64(1) 1_555 1_555 7_555 7_555 yes O(1) Ag(1) O(1) C(3) 172.3(9) 1_555 1_555 7_555 7_555 yes O(1) Ag(1) N(1) C(1) 9(1) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(1) 121(1) 1_555 1_555 1_555 7_555 yes O(1) Ag(1) N(1) C(2) -2.8(9) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(2) 133.3(9) 1_555 1_555 1_555 7_555 yes O(1) Ag(1) N(1) C(4) -114.8(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(1) N(1) C(5) -114.8(3) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) C(1) -125.0(9) 1_555 1_555 1_555 7_555 yes O(1) C(1) N(1) C(2) 19(2) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) C(2) -107(1) 1_555 1_555 1_555 7_555 yes O(1) C(1) N(1) C(4) 113.3(9) 1_555 1_555 1_555 1_555 yes O(1) C(1) N(1) C(5) 138.7(7) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(1) N(1) 67(1) 1_555 1_555 7_555 1_555 yes O(1) C(1) C(1) C(2) -3(3) 1_555 1_555 7_555 7_555 yes O(1) C(1) C(2) N(1) -39(4) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(2) C(3) -29(2) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(4) N(1) -75.5(10) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(4) C(1) -112.3(9) 1_555 1_555 1_555 7_555 yes O(1) C(1) C(4) C(5) 152.1(8) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(4) C(6) 177.9(7) 1_555 1_555 1_555 1_555 yes O(1) C(1) C(4) C(6) 128.1(9) 1_555 1_555 1_555 7_555 yes O(1) C(2) N(1) C(1) -147(4) 1_555 1_555 1_555 1_555 yes O(1) C(2) N(1) C(1) -104(1) 1_555 1_555 1_555 7_555 yes O(1) C(2) N(1) C(2) -75(2) 1_555 1_555 1_555 7_555 yes O(1) C(2) N(1) C(4) 116(1) 1_555 1_555 1_555 1_555 yes O(1) C(2) N(1) C(5) 148(1) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(1) N(1) 39(4) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(1) C(1) -5(6) 1_555 1_555 1_555 7_555 yes O(1) C(2) C(1) C(4) 78(3) 1_555 1_555 1_555 1_555 yes O(1) C(3) C(2) N(1) 53(1) 1_555 1_555 1_555 1_555 yes O(1) C(3) C(2) C(1) 48(4) 1_555 1_555 1_555 1_555 yes O(2) S(1) F(1) C(8) 123.0(4) 1_555 1_555 1_555 1_555 yes O(2) S(1) F(2) C(8) -1(1) 1_555 1_555 1_555 1_555 yes O(2) S(1) F(2) C(8) -119(1) 1_555 1_555 7_545 1_555 yes O(2) S(1) O(3) C(8) -110.9(5) 1_555 1_555 1_555 1_555 yes O(2) S(1) C(8) O(3) 120.9(5) 1_555 1_555 1_555 1_555 yes O(2) O(2) S(1) O(3) 138(1) 1_555 7_545 1_555 1_555 yes O(2) O(2) S(1) C(8) -109(1) 1_555 7_545 1_555 1_555 yes O(2) O(3) S(1) C(8) 110.9(5) 1_555 1_555 1_555 1_555 yes O(2) C(8) S(1) O(3) -120.9(5) 1_555 1_555 1_555 1_555 yes O(3) S(1) F(1) C(8) 0.0 1_555 1_555 1_555 1_555 yes O(3) S(1) F(2) C(8) -124(1) 1_555 1_555 1_555 1_555 yes O(3) S(1) F(2) C(8) 124(1) 1_555 1_555 7_545 1_555 yes O(3) S(1) O(2) C(8) 111(1) 1_555 1_555 1_555 1_555 yes O(3) O(2) S(1) C(8) -111(1) 1_555 1_555 1_555 1_555 yes O(3) O(2) S(1) C(8) 111(1) 1_555 7_545 1_555 1_555 yes N(1) Ag(1) O(1) C(1) -5.7(7) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(1) C(2) 4(1) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(1) C(3) 128(1) 1_555 1_555 1_555 1_555 yes N(1) Ag(1) O(1) C(2) -4(1) 1_555 1_555 7_555 7_555 yes N(1) Ag(1) O(1) C(3) -128(1) 1_555 1_555 7_555 7_555 yes N(1) C(1) O(1) C(2) -148(4) 1_555 1_555 1_555 1_555 yes N(1) C(1) O(1) C(3) -113(1) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(1) C(2) -70(3) 1_555 1_555 7_555 7_555 yes N(1) C(1) C(2) C(3) 9(7) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(4) C(1) -36(1) 1_555 1_555 1_555 7_555 yes N(1) C(1) C(4) C(5) -132(1) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(4) C(6) -106(1) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(4) C(6) -156(1) 1_555 1_555 1_555 7_555 yes N(1) C(2) O(1) C(1) 18(2) 1_555 1_555 1_555 1_555 yes N(1) C(2) O(1) C(3) -135(1) 1_555 1_555 1_555 1_555 yes N(1) C(2) C(1) C(1) -45(2) 1_555 1_555 1_555 7_555 yes N(1) C(2) C(1) C(4) 39(1) 1_555 1_555 1_555 1_555 yes N(1) C(2) O(1) C(3) 135(1) 1_555 7_555 7_555 7_555 yes N(1) C(4) C(1) C(1) 36(1) 1_555 1_555 1_555 7_555 yes N(1) C(4) C(1) C(2) -108(1) 1_555 1_555 1_555 1_555 yes N(1) C(4) C(1) C(2) 108(1) 1_555 1_555 7_555 7_555 yes N(1) C(4) C(5) C(6) 90(1) 1_555 1_555 1_555 1_555 yes N(1) C(4) C(5) C(6) -90(1) 1_555 1_555 1_555 7_555 yes N(1) C(4) C(5) C(7) 85(2) 1_555 1_555 1_555 1_555 yes N(1) C(4) C(5) C(7) -85(2) 1_555 1_555 1_555 7_555 yes N(1) C(4) C(6) N(2) -100.6(8) 1_555 1_555 1_555 1_555 yes N(1) C(4) C(6) C(5) -105(1) 1_555 1_555 1_555 1_555 yes N(1) C(4) C(6) C(6) -106.0(7) 1_555 1_555 1_555 7_555 yes N(1) C(4) C(6) C(7) -97(1) 1_555 1_555 1_555 1_555 yes N(1) C(4) C(6) C(7) -103.8(6) 1_555 1_555 1_555 7_555 yes N(1) C(4) C(6) C(5) 105(1) 1_555 1_555 7_555 1_555 yes N(1) C(4) C(6) C(7) 97(1) 1_555 1_555 7_555 7_555 yes N(1) C(5) C(4) C(1) 29.4(7) 1_555 1_555 1_555 1_555 yes N(1) C(5) C(4) C(1) -29.4(7) 1_555 1_555 1_555 7_555 yes N(1) C(5) C(4) C(6) -90(1) 1_555 1_555 1_555 1_555 yes N(1) C(5) C(4) C(6) 90(1) 1_555 1_555 1_555 7_555 yes N(1) C(5) C(6) N(2) -143.5(8) 1_555 1_555 1_555 1_555 yes N(1) C(5) C(6) C(4) 32.4(9) 1_555 1_555 1_555 1_555 yes N(1) C(5) C(6) C(6) -148(1) 1_555 1_555 1_555 7_555 yes N(1) C(5) C(6) C(7) -142(1) 1_555 1_555 1_555 1_555 yes N(1) C(5) C(6) C(7) -145.7(10) 1_555 1_555 1_555 7_555 yes N(1) C(5) C(6) C(7) 142(1) 1_555 1_555 7_555 7_555 yes N(1) C(5) C(7) N(2) -126(1) 1_555 1_555 1_555 1_555 yes N(1) C(5) C(7) C(6) 54(1) 1_555 1_555 1_555 1_555 yes N(1) C(5) C(7) C(6) -130(1) 1_555 1_555 1_555 7_555 yes N(1) C(5) C(7) C(7) -128.5(9) 1_555 1_555 1_555 7_555 yes N(1) C(5) C(7) N(2) 126(1) 1_555 1_555 7_555 1_555 yes N(1) C(5) C(7) C(6) -54(1) 1_555 1_555 7_555 7_555 yes N(2) C(6) C(4) C(1) -62(1) 1_555 1_555 1_555 1_555 yes N(2) C(6) C(4) C(1) -115.5(9) 1_555 1_555 1_555 7_555 yes N(2) C(6) C(4) C(5) 4(1) 1_555 1_555 1_555 1_555 yes N(2) C(6) C(4) C(6) 5.4(9) 1_555 1_555 1_555 7_555 yes N(2) C(6) C(5) C(4) -175(1) 1_555 1_555 1_555 1_555 yes N(2) C(6) C(5) C(6) 4(1) 1_555 1_555 1_555 7_555 yes N(2) C(6) C(5) C(7) 0(1) 1_555 1_555 1_555 1_555 yes N(2) C(6) C(5) C(7) 2.2(7) 1_555 1_555 1_555 7_555 yes N(2) C(6) C(6) C(5) -174(1) 1_555 1_555 7_555 1_555 yes N(2) C(6) C(6) C(7) 0.9(8) 1_555 1_555 7_555 7_555 yes N(2) C(6) C(7) C(5) 1(2) 1_555 1_555 1_555 1_555 yes N(2) C(6) C(7) C(6) -1(1) 1_555 1_555 1_555 7_555 yes N(2) C(6) C(7) C(7) -1(1) 1_555 1_555 1_555 7_555 yes N(2) C(6) C(7) C(6) -178(1) 1_555 1_555 7_555 7_555 yes N(2) C(6) C(5) C(4) 175(1) 1_555 7_555 1_555 1_555 yes N(2) C(6) C(5) C(6) -4(1) 1_555 7_555 1_555 1_555 yes N(2) C(6) C(5) C(7) -2.2(7) 1_555 7_555 1_555 1_555 yes N(2) C(6) C(5) C(7) 0(1) 1_555 7_555 1_555 7_555 yes N(2) C(7) C(5) C(4) -172(2) 1_555 1_555 1_555 1_555 yes N(2) C(7) C(5) C(6) 179(1) 1_555 1_555 1_555 1_555 yes N(2) C(7) C(5) C(6) 3(1) 1_555 1_555 1_555 7_555 yes N(2) C(7) C(5) C(7) 2(1) 1_555 1_555 1_555 7_555 yes N(2) C(7) C(6) C(4) -5(3) 1_555 1_555 1_555 1_555 yes N(2) C(7) C(6) C(5) -1(2) 1_555 1_555 1_555 1_555 yes N(2) C(7) C(6) C(6) 1(1) 1_555 1_555 1_555 7_555 yes N(2) C(7) C(6) C(7) 1(1) 1_555 1_555 1_555 7_555 yes N(2) C(7) C(6) C(5) -175(1) 1_555 1_555 7_555 1_555 yes N(2) C(7) C(6) C(7) 1(1) 1_555 1_555 7_555 7_555 yes N(2) C(7) C(7) C(6) -177(2) 1_555 1_555 7_555 7_555 yes N(2) C(7) C(6) C(5) 1(2) 1_555 7_555 7_555 1_555 yes C(1) O(1) C(2) C(3) 153(2) 1_555 1_555 1_555 1_555 yes C(1) O(1) C(3) C(2) -16(1) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(1) C(2) 144(2) 1_555 1_555 7_555 7_555 yes C(1) N(1) C(2) C(3) -174(4) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(4) C(5) 58(1) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(4) C(6) 89(1) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(4) C(6) 26(1) 1_555 1_555 1_555 7_555 yes C(1) N(1) C(5) C(4) -127(1) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(5) C(6) 126(1) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(5) C(6) -21(1) 1_555 1_555 1_555 7_555 yes C(1) N(1) C(5) C(7) 98(1) 1_555 1_555 1_555 1_555 yes C(1) N(1) C(5) C(7) 5(1) 1_555 1_555 1_555 7_555 yes C(1) C(1) N(1) C(2) -17.2(9) 1_555 7_555 1_555 1_555 yes C(1) C(1) N(1) C(2) -144(2) 1_555 7_555 1_555 7_555 yes C(1) C(1) N(1) C(4) 121(1) 1_555 7_555 1_555 1_555 yes C(1) C(1) N(1) C(5) 96.3(9) 1_555 7_555 1_555 1_555 yes C(1) C(2) O(1) C(3) -153(2) 1_555 1_555 1_555 1_555 yes C(1) C(2) N(1) C(2) 71(3) 1_555 1_555 1_555 7_555 yes C(1) C(2) N(1) C(4) -96(2) 1_555 1_555 1_555 1_555 yes C(1) C(2) N(1) C(5) -64(2) 1_555 1_555 1_555 1_555 yes C(1) C(4) N(1) C(2) 27.0(9) 1_555 1_555 1_555 1_555 yes C(1) C(4) N(1) C(2) -143(1) 1_555 1_555 1_555 7_555 yes C(1) C(4) N(1) C(5) -58(1) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(1) C(2) 144(1) 1_555 1_555 7_555 7_555 yes C(1) C(4) C(5) C(6) 119(1) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(5) C(6) -60(1) 1_555 1_555 1_555 7_555 yes C(1) C(4) C(5) C(7) 114(1) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(5) C(7) -56(2) 1_555 1_555 1_555 7_555 yes C(1) C(4) C(6) C(5) -67(1) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(6) C(6) -68.0(7) 1_555 1_555 1_555 7_555 yes C(1) C(4) C(6) C(7) -59(2) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(6) C(7) -65.9(8) 1_555 1_555 1_555 7_555 yes C(1) C(4) C(6) C(5) 120(1) 1_555 1_555 7_555 1_555 yes C(1) C(4) C(6) C(7) 112(2) 1_555 1_555 7_555 7_555 yes C(2) O(1) C(1) C(4) -115(3) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(1) C(4) -93(2) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(4) C(5) 85.4(7) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(4) C(6) 117.0(7) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(4) C(6) 53(1) 1_555 1_555 1_555 7_555 yes C(2) N(1) C(5) C(4) -105.2(8) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(5) C(6) 148(1) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(5) C(6) 0(1) 1_555 1_555 1_555 7_555 yes C(2) N(1) C(5) C(7) 121.3(9) 1_555 1_555 1_555 1_555 yes C(2) N(1) C(5) C(7) 28(1) 1_555 1_555 1_555 7_555 yes C(2) C(1) O(1) C(3) 34(3) 1_555 1_555 1_555 1_555 yes C(2) C(1) N(1) C(4) 93(2) 1_555 1_555 1_555 1_555 yes C(2) C(1) N(1) C(5) 119(2) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(1) C(2) 0.0 1_555 1_555 7_555 7_555 yes C(2) C(1) C(4) C(5) 119(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(4) C(6) 145(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(4) C(6) 95(1) 1_555 1_555 1_555 7_555 yes C(3) O(1) C(1) C(4) -80(1) 1_555 1_555 1_555 1_555 yes C(3) C(2) N(1) C(4) 89(1) 1_555 1_555 1_555 1_555 yes C(3) C(2) N(1) C(5) 120(1) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(1) C(4) 49(6) 1_555 1_555 1_555 1_555 yes C(4) N(1) C(5) C(6) -105.9(9) 1_555 1_555 1_555 1_555 yes C(4) N(1) C(5) C(6) 105.9(9) 1_555 1_555 1_555 7_555 yes C(4) N(1) C(5) C(7) -133.6(8) 1_555 1_555 1_555 1_555 yes C(4) N(1) C(5) C(7) 133.6(8) 1_555 1_555 1_555 7_555 yes C(4) C(1) N(1) C(5) 25.4(7) 1_555 1_555 1_555 1_555 yes C(4) C(1) N(1) C(5) -25.4(7) 1_555 7_555 1_555 1_555 yes C(4) C(5) C(6) C(6) 179(2) 1_555 1_555 1_555 7_555 yes C(4) C(5) C(6) C(7) -175(1) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(6) C(7) -178(1) 1_555 1_555 1_555 7_555 yes C(4) C(5) C(6) C(7) 175(1) 1_555 1_555 7_555 7_555 yes C(4) C(5) C(7) C(6) 8(2) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(7) C(6) -176(2) 1_555 1_555 1_555 7_555 yes C(4) C(5) C(7) C(7) -174(2) 1_555 1_555 1_555 7_555 yes C(4) C(5) C(7) C(6) -8(2) 1_555 1_555 7_555 7_555 yes C(4) C(6) N(2) C(6) -5.4(9) 1_555 1_555 1_555 7_555 yes C(4) C(6) N(2) C(7) 176(1) 1_555 1_555 1_555 1_555 yes C(4) C(6) N(2) C(7) -6(1) 1_555 1_555 1_555 7_555 yes C(4) C(6) C(5) C(6) -179(2) 1_555 1_555 1_555 7_555 yes C(4) C(6) C(5) C(7) 175(1) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(5) C(7) 178(1) 1_555 1_555 1_555 7_555 yes C(4) C(6) C(6) C(5) 0(1) 1_555 1_555 7_555 1_555 yes C(4) C(6) C(6) C(7) 175(1) 1_555 1_555 7_555 7_555 yes C(4) C(6) C(7) C(5) -4(1) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(7) C(6) -7(1) 1_555 1_555 1_555 7_555 yes C(4) C(6) C(7) C(7) -7(1) 1_555 1_555 1_555 7_555 yes C(4) C(6) C(7) C(6) -3.7(9) 1_555 1_555 7_555 7_555 yes C(4) C(6) C(5) C(6) 179(2) 1_555 7_555 1_555 1_555 yes C(4) C(6) C(5) C(7) -178(1) 1_555 7_555 1_555 1_555 yes C(4) C(6) C(5) C(7) -175(1) 1_555 7_555 1_555 7_555 yes C(5) N(1) C(4) C(6) 31.6(5) 1_555 1_555 1_555 1_555 yes C(5) N(1) C(4) C(6) -31.6(5) 1_555 1_555 1_555 7_555 yes C(5) C(4) C(6) C(6) 0(1) 1_555 1_555 1_555 7_555 yes C(5) C(4) C(6) C(7) 8(2) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(6) C(7) 1(1) 1_555 1_555 1_555 7_555 yes C(5) C(4) C(6) C(7) -8(2) 1_555 1_555 7_555 7_555 yes C(5) C(6) N(2) C(6) -2.9(9) 1_555 1_555 1_555 7_555 yes C(5) C(6) N(2) C(7) 179(1) 1_555 1_555 1_555 1_555 yes C(5) C(6) N(2) C(7) -3(1) 1_555 1_555 1_555 7_555 yes C(5) C(6) C(4) C(6) 0(1) 1_555 1_555 1_555 7_555 yes C(5) C(6) C(6) C(7) 175(1) 1_555 1_555 7_555 7_555 yes C(5) C(6) C(7) C(6) -2(1) 1_555 1_555 1_555 7_555 yes C(5) C(6) C(7) C(7) -2(1) 1_555 1_555 1_555 7_555 yes C(5) C(6) C(7) C(6) -2(1) 1_555 1_555 7_555 7_555 yes C(5) C(7) N(2) C(6) 0(1) 1_555 1_555 1_555 1_555 yes C(5) C(7) N(2) C(6) -2.2(7) 1_555 1_555 1_555 7_555 yes C(5) C(7) N(2) C(7) -3(1) 1_555 1_555 1_555 7_555 yes C(5) C(7) C(6) C(6) 2(1) 1_555 1_555 1_555 7_555 yes C(5) C(7) C(6) C(7) 2(1) 1_555 1_555 1_555 7_555 yes C(5) C(7) C(6) C(7) 177(1) 1_555 1_555 7_555 7_555 yes C(5) C(7) C(7) C(6) -1.6(6) 1_555 1_555 7_555 7_555 yes C(5) C(7) N(2) C(6) 2.2(7) 1_555 7_555 1_555 1_555 yes C(5) C(7) N(2) C(6) 0(1) 1_555 7_555 1_555 7_555 yes C(5) C(7) N(2) C(7) 3(1) 1_555 7_555 1_555 1_555 yes C(6) N(2) C(6) C(7) -177(1) 1_555 1_555 7_555 7_555 yes C(6) N(2) C(7) C(7) 3(2) 1_555 1_555 1_555 7_555 yes C(6) C(4) C(5) C(7) -4(1) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(5) C(7) -175(3) 1_555 1_555 1_555 7_555 yes C(6) C(4) C(6) C(7) -8(2) 1_555 1_555 7_555 7_555 yes C(6) C(5) C(6) C(7) -5(2) 1_555 1_555 7_555 7_555 yes C(6) C(5) C(7) C(7) 176(1) 1_555 1_555 1_555 7_555 yes C(6) C(6) C(5) C(7) 2(1) 1_555 7_555 1_555 1_555 yes C(6) C(6) C(5) C(7) 5(2) 1_555 7_555 1_555 7_555 yes C(6) C(7) N(2) C(7) -3(2) 1_555 1_555 1_555 7_555 yes C(6) C(7) C(5) C(7) -176(1) 1_555 1_555 1_555 7_555 yes C(6) C(7) C(6) C(7) 180.0 1_555 1_555 7_555 7_555 yes C(6) C(7) C(7) C(6) 0.0 1_555 1_555 7_555 7_555 yes C(6) C(7) N(2) C(7) 1(1) 1_555 7_555 1_555 1_555 yes C(7) C(6) C(6) C(7) 0.0 1_555 1_555 7_555 7_555 yes C(7) C(6) C(7) C(6) 180.0 1_555 1_555 7_555 7_555 yes #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag Ag(1) O(1) 2.633(9) . . ? Ag(1) O(1) 2.633(9) . 7_555 ? S(1) F(1) 2.57(1) . . ? S(1) F(2) 2.595(10) . . ? S(1) F(2) 2.595(10) . 7_545 ? O(3) C(8) 2.51(3) . . ? N(1) C(5) 2.56(2) . . ? C(4) C(6) 2.50(2) . . ? C(4) C(6) 2.50(2) . 7_555 ? C(6) C(7) 2.67(2) . 7_555 ? Ag(1) O(2) 2.836(9) . 3_655 ? Ag(1) O(2) 2.836(9) . 5_655 ? Ag(1) C(7) 3.10(1) . 7_655 ? Ag(1) S(1) 3.348(5) . 3_655 ? F(1) N(2) 3.18(2) . 3_545 ? F(1) C(7) 3.32(2) . 3_545 ? F(1) C(7) 3.32(2) . 5_555 ? F(2) C(2) 3.45(3) . 8_455 ? F(2) O(1) 3.52(1) . 8_455 ? F(2) C(3) 3.57(2) . 8_455 ? O(2) C(6) 3.39(1) . 1_545 ? O(2) C(4) 3.57(2) . 3_645 ? O(3) C(2) 3.49(2) . . ? O(3) C(2) 3.49(2) . 7_545 ? O(3) C(3) 3.59(2) . . ? O(3) C(3) 3.59(2) . 7_545 ? #------------------------------------------------------------------------------